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@Article{Pettifor02p33,
  author    = {Pettifor, D. G. and Oleinik, I. I. and Nguyen-Manh, D. and Vitek, V.},
  journal   = {Comp. Mat. Sci.},
  title     = {Bond-order potentials: bridging the electronic to atomistic modelling hierarchies},
  year      = {2002},
  issn      = {0927-0256},
  number    = {1-4},
  pages     = {33-7},
  volume    = {23},
  abstract  = {Novel analytic bond-order potentials (BOPs) may be derived for atomistic simulations by coarse-graining the electronic structure within the orthogonal two-centre tight-binding (TB) representation. We show that these BOPs allow the concept of single, double, triple and conjugate bonds in carbon systems to be quantified, so that they provide the first 'classical' interatomic potentials that handle both structural differentiation and radical formation naturally within their remit. Finally, we indicate that this recently developed BOP formalism allows explicit, analytic expressions for the environmental dependence of the TB bond integrals to be derived, thereby providing a systematic methodology for bridging from the electronic to atomistic modelling hierarchies},
  address   = {Hong Kong, China},
  copyright = {Copyright 2002, IEE},
  doi       = {10.1016/S0927-0256(01)00204-X},
  keywords  = {band structure;bonds (chemical);molecular dynamics method;tight-binding calculations;},
  language  = {English},
}

@Article{Ganesh09p064225,
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  journal   = {J. Phys.: Condens. Matter},
  title     = {Pressure induced phase transitions in {PbTiO$_3$}},
  year      = {2009},
  number    = {6},
  pages     = {064225-1--4},
  volume    = {21},
  publisher = {IOP Publishing},
}

@Article{Brown76p1957,
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  title     = {Empirical parameters for calculating cation{\textendash}oxygen bond valences},
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@Article{Zhao08p184109,
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  year      = {2008},
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  year      = {2007},
  number    = {2},
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  volume    = {52},
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@Article{Waghmare97p6161,
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}

@Article{Liu13p102202,
  author    = {Liu, Shi and Grinberg, Ilya and Rappe, Andrew M},
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  journal   = {J. Physics.: Condens. Matter},
  year      = {2013},
  volume    = {25},
  number    = {10},
  pages     = {102202-1--6},
  publisher = {IOP Publishing},
}

@Article{Zhong95p6301,
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@Article{Ahart08p545,
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  journal = {Naure},
  title   = {Origin of morphotropic phase boundaries in ferroelectrics},
  year    = {2008},
  number  = {7178},
  pages   = {545--548},
  volume  = {451},
}

@Article{Gonze02p478,
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  title   = {First-principles computation of material properties: the {ABINIT} software project},
  journal = {Comp. Mater. Sci.},
  year    = {2002},
  volume  = {25},
  pages   = {478--92},
}

@Article{Wojdel13p305401,
  author    = {Wojde{\l}, Jacek C and Hermet, Patrick and Ljungberg, Mathias P and Ghosez, Philippe and {\'I}{\~n}iguez, Jorge},
  journal   = {J. Phys.: Condens. Matter},
  title     = {First-principles model potentials for lattice-dynamical studies: general methodology and example of application to ferroic perovskite oxides},
  year      = {2013},
  number    = {30},
  pages     = {305401-1--25},
  volume    = {25},
  publisher = {IOP Publishing},
}

@Article{Scott07p954,
  author    = {Scott, J. F.},
  title     = {Applications of Modern Ferroelectrics},
  journal   = {Science},
  year      = {2007},
  volume    = {315},
  number    = {5814},
  pages     = {954--959},
  publisher = {Amer Assoc Advancement Science},
}

@Article{Sepliarsky02p36,
  author    = {Sepliarsky, M. and Cohen, R. E.},
  journal   = {AIP Conf. Proc.},
  title     = {Development of shell model potential for molecular dynamics for PbTiO$_3$ by fitting first principles results},
  year      = {2002},
  issn      = {0094-243X},
  pages     = {36--44},
  volume    = {626},
  abstract  = {Atomistic potentials are desirable for studying the dynamics and effects of temperature on electromechanical properties of piezoelectrics. We development a shell model to study PbTiO/sub 3/, which is an important component in many piezoelectric solid solutions. With parameters completely adjusted to available first principle calculations, the model describes the temperature behavior of the system in good agreement with experiments. At P=0, however, the potential gives a antiferrodistortive instability, which coexists with the ferroelectric distortion. The instability disappears at a pressure of 0.5 GPa},
  copyright = {Copyright 2003, IEE},
  doi       = {10.1063/1.1499550},
  keywords  = {density functional theory;ferroelectric materials;high-pressure effects;lattice dynamics;lead compounds;molecular dynamics method;piezoelectric materials;},
  language  = {English},
}

@Article{Takenaka13p147602,
  author    = {Takenaka, Hiroyuki and Grinberg, Ilya and Rappe, Andrew M.},
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  title     = {Anisotropic Local Correlations and Dynamics in a Relaxor Ferroelectric},
  year      = {2013},
  pages     = {147602},
  volume    = {110},
  doi       = {10.1103/PhysRevLett.110.147602},
  issue     = {14},
  numpages  = {5},
  publisher = {American Physical Society},
}

@Article{Takenaka17p391,
  author    = {Hiroyuki Takenaka and Ilya Grinberg and Shi Liu and Andrew M. Rappe},
  journal   = {Naure},
  title     = {Slush-like polar structures in single-crystal relaxors},
  year      = {2017},
  number    = {7658},
  pages     = {391--395},
  volume    = {546},
  doi       = {10.1038/nature22068},
  publisher = {Springer Nature},
}

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  year    = {1968},
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  journal = {Naure},
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  year    = {2002},
  pages   = {909-911},
  volume  = {419},
}

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  journal   = {Philos. Mag. A},
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  number    = {1},
  pages     = {45--55},
  volume    = {50},
  publisher = {Taylor \& Francis},
}

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  author    = {Pettifor, D G and Oleinik, I I},
  journal   = {Phys. Rev. B},
  title     = {Analytic bond-order potentials beyond Tersoff-Brenner. I. Theory},
  year      = {1999},
  number    = {13},
  pages     = {8487--8499},
  volume    = {59},
  publisher = {APS},
}

@Article{Shin08p015224,
  author    = {Y.-H. Shin and J.-Y. Son and B.-J. Lee and I. Grinberg and A. M Rappe},
  journal   = {J. Phys.: Condens. Matter},
  title     = {Order-disorder character of PbTiO$_3$},
  year      = {2008},
  pages     = {015224-1--5},
  volume    = {20},
  timestamp = {2008.03.31},
}

@Article{Shin05p054104,
  author    = {Y.-H. Shin and Cooper, V. R. and Grinberg, I. and Rappe, A. M.},
  journal   = {Phys. Rev. B},
  title     = {Development of a bond-valence molecular-dynamics model for complex oxides},
  year      = {2005},
  issn      = {0163-1829},
  number    = {5},
  pages     = {054104-1--4},
  volume    = {71},
  abstract  = {A simple ten-parameter interatomic potential model is described that is capable of accurately reproducing the static and dynamical properties of complex oxides. The accuracy of this model stems from the crystal-chemical bond-valence theory of ionic and covalent bonding. The development of a specific variant of this model for ferroelectric PbTiO/sub 3/ (PT) is discussed in detail, and comparison of the model is made with density functional theory computations and with experimental data. Bond-valence molecular dynamics (BVMD) simulations for PT show a ferroelectric transition at 575 K. The BVMD model correctly reproduces the mixed order-disorder and displacive phase transition character, the magnitudes of cation displacements in the ferroelectric and paraelectric phases, and the energy of 180 degrees domain walls. The success of this simple and physically motivated model makes the simulation of extended defects tractable in PT and other complex oxides},
  copyright = {Copyright 2005, IEE},
  doi       = {10.1103/PhysRevB.71.054104},
  keywords  = {bonds (chemical);electric domain walls;ferroelectric materials;ferroelectric transitions;molecular dynamics method;order-disorder transformations;VB calculations;},
  language  = {English},
}

@Article{Grinberg09p197601,
  author    = {Grinberg, Ilya and Shin, Young-Han and Rappe, Andrew M},
  journal   = {Phys. Rev. Lett.},
  title     = {Molecular dynamics study of dielectric response in a relaxor ferroelectric},
  year      = {2009},
  number    = {19},
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  volume    = {103},
  publisher = {APS},
}

@Article{Carlsson83p2101,
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  number    = {4},
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}

@Article{Grinberg04p220101,
  author    = {Grinberg, I. and Rappe, A. M.},
  journal   = {Phys. Rev. B},
  title     = {Local structure and macroscopic properties in PbMg$_{1/3}$Nb$_{2/3}$O$_3$--PbTiO$_3$ and PbZn$_{1/3}$Nb$_{2/3}$O$_3$--PbTiO$_3$ solid solutions},
  year      = {2004},
  issn      = {0163-1829},
  number    = {22},
  pages     = {220101-1-4},
  volume    = {70},
  abstract  = {We have examined the local structure of PbMg/sub 1/3/Nb/sub 2/3/O/sub 3/-PbTiO/sub 3/ (PMN-PT) and PbZn/sub 1/3/Nb/sub 2/3/O/sub 3/-PbTiO/sub 3/ (PZN-PT) solid solutions using density functional theory. We find that the directions and magnitudes of cation displacement can be explained by an interplay of cation-oxygen bonding, electrostatic dipole-dipole interactions, and short-range direct and through oxygen Pb-B-cation repulsive interactions. We find that the Zn ions move off center in the PZN-PT system, which also enables larger Pb and Nb/Ti displacements. The off-centering behavior of Zn lessens Pb-B-cation repulsion, leading to relaxor-to-ferroelectric and rhombohedral-to-tetragonal phase transitions at low PbTiO/sub 3/ content in the PZN-PT system. We also show that a simple quadratic relationship exists between Pb and B-cation displacements and the temperature maximum of the dielectric constant, thus linking the enhanced displacements in PZN-PT systems with the higher transition temperatures},
  copyright = {Copyright 2005, IEE},
  doi       = {10.1103/PhysRevB.70.220101},
  keywords  = {bonds (chemical);density functional theory;ferroelectric transitions;lead compounds;permittivity;relaxor ferroelectrics;solid solutions;},
  language  = {English},
}

@Article{Wu05p037601,
  author    = {Z. Wu and R. E. Cohen},
  journal   = {Phys. Rev. Lett.},
  title     = {Pressure-Induced Anomalous Phase Transitions and Colossal Enhancement of Piezoelectricity in PbTiO$_3$},
  year      = {2005},
  pages     = {037601},
  volume    = {95},
  timestamp = {2007.08.01},
}

@Article{Shimada08p325225,
  author    = {Shimada, T. and Wakahara, K. and Ulmeno, Y. and Kitamura, T.},
  title     = {Shell Model Potential for PbTiO$_3$ and its Applicability to Surfaces and Domain Walls},
  journal   = {J. Phys. Condens. Matter},
  year      = {2008},
  volume    = {20},
  pages     = {325225-1--11},
  timestamp = {2010.07.06},
}

@Article{Brown73p266,
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  year      = {1973},
  number    = {3},
  pages     = {266--282},
  volume    = {29},
  doi       = {10.1107/s0567739473000689},
  publisher = {International Union of Crystallography ({IUCr})},
}

@Book{Sutton93,
  title     = {Electronic Structure of Materials},
  publisher = {Oxford University Press},
  year      = {1993},
  author    = {A. P. Sutton},
  timestamp = {2005.12.05},
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@Article{vanDuin08p11414,
  author    = {van Duin, Adri CT and Merinov, Boris V and Han, Sang Soo and Dorso, Claudio O and Goddard Iii, William A},
  journal   = {J. Phys. Chem. A},
  title     = {ReaxFF reactive force field for the Y-doped {BaZrO$_3$} proton conductor with applications to diffusion rates for multigranular systems},
  year      = {2008},
  number    = {45},
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  publisher = {ACS Publications},
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@Article{Palewicz07p537,
  author  = {Palewicz, A. and Przenioslo, R. and Sosnowska, I. and Hewat, A. W.},
  journal = {Acta Crystallogr., Sect. B: Struct. Sci},
  title   = {Atomic displacements in BiFeO$_3$ as a function of temperature: neutron diffraction study},
  year    = {2007},
  pages   = {537--544},
  volume  = {63},
  pn      = {4},
}

@Article{Baettig05p214105,
  author    = {P. Baettig and C. Ederer and N. A. Spaldin},
  journal   = {Phys. Rev. B},
  title     = {First principles study of the multiferroics BiFeO$_3$, Bi$_2$FeCrO$_6$, and BiCrO$_3$: Structure, polarization, and magnetic ordering temperature},
  year      = {2005},
  pages     = {214105-1--8},
  volume    = {72},
  timestamp = {2008.02.08},
}

@Article{Kornev07p227602,
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  title   = {Finite-temperature properties of multiferroic {BiFeO$_3$}},
  year    = {2007},
  number  = {22},
  pages   = {227602-1--4},
  volume  = {99},
}

@Article{Zhong94p1861,
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  title   = {Phase Transitions in BaTiO$_3$ from First Principles},
  year    = {1994},
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@Article{Catalan09p2463,
  author    = {Catalan, G. and Scott, J. F.},
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  title     = {Physics and Applications of Bismuth Ferrite},
  year      = {2009},
  number    = {24},
  pages     = {2463--2485},
  volume    = {21},
  af        = {Catalan, GustauEOLEOLScott, James F.},
  di        = {10.1002/adma.200802849},
  sn        = {0935-9648},
  tc        = {281},
  timestamp = {2012.02.13},
  ut        = {WOS:000267719000001},
  z9        = {287},
}

@Article{Arnold09p027602,
  author    = {Arnold, Donna C and Knight, Kevin S and Morrison, Finlay D and Lightfoot, Philip},
  journal   = {Phys. Rev. Lett.},
  title     = {Ferroelectric-paraelectric transition in {BiFeO$_3$}: crystal structure of the orthorhombic $\beta$ phase},
  year      = {2009},
  number    = {2},
  pages     = {027602-1--4},
  volume    = {102},
  publisher = {APS},
}

@Article{Kimura03p55,
  author    = {T. Kimura and T. Goto and H. Shintani and K. Ishizaka and T. Arima and Y. Tokura},
  journal   = {Naure},
  title     = {Magnetic control of ferroelectric polarization},
  year      = {2003},
  pages     = {55-58},
  volume    = {426},
  timestamp = {2012.03.08},
}

@Article{Prosandeev11p117602,
  author  = {Prosandeev, S. and Kornev, I. A. and Bellaiche, L.},
  journal = {Phys. Rev. Lett.},
  title   = {Phase transitions in epitaxial (-110) {BiFeO$_3$} films from first principles},
  year    = {2011},
  number  = {11},
  pages   = {117602-1--5},
  volume  = {107},
}

@Article{Liu13p104102,
  author    = {Liu, Shi and Grinberg, Ilya and Takenaka, Hiroyuki and Rappe, Andrew M.},
  journal   = {Phys. Rev. B},
  title     = {Reinterpretation of the bond-valence model with bond-order formalism: An improved bond-valence-based interatomic potential for PbTiO${}_{3}$},
  year      = {2013},
  pages     = {104102},
  volume    = {88},
  doi       = {10.1103/PhysRevB.88.104102},
  issue     = {10},
  numpages  = {7},
  publisher = {American Physical Society},
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  volume  = {86},
  doi     = {10.1063/1.370772},
}

@PhdThesis{SuchomelThesis,
  author = {Suchomel, Matthew R},
  title  = {Greater functionality of bismuth and lead based perovskites},
  school = {University of Pennsylvania},
  year   = {2005},
}

@Article{Tybell02p97601,
  author  = {T. Tybell and P. Paruch and T. Giamarchi and J.-M. Triscone},
  journal = {Phys. Rev. Lett.},
  title   = {Domain wall creep in epitaxial ferroelectric Pb(Zr$_0.2$Ti$_0.8$)O$_3$ thin films},
  year    = {2002},
  pages   = {097601},
  volume  = {89},
}

@Article{Guo12p242908,
  author    = {Guo, Er-Jia and D{\"o}rr, K and Herklotz, A},
  journal   = {Appl. Phys. Lett.},
  title     = {Strain controlled ferroelectric switching time of {BiFeO$_3$} capacitors},
  year      = {2012},
  number    = {24},
  pages     = {242908-1--5},
  volume    = {101},
  publisher = {AIP Publishing},
}

@Article{Jin14p1,
  author    = {Jin, Li and Li, Fei and Zhang, Shujun},
  journal   = {J. Am. Ceram. Soc.},
  title     = {Decoding the fingerprint of ferroelectric loops: comprehension of the material properties and structures},
  year      = {2014},
  number    = {1},
  pages     = {1--27},
  volume    = {97},
  publisher = {Wiley Online Library},
}

@Article{Jablonski16p2935,
  author    = {Michael L. Jablonski and Shi Liu and Christopher R. Winkler and Anoop R. Damodaran and Ilya Grinberg and Lane W. Martin and Andrew M. Rappe and Mitra L. Taheri},
  journal   = {{ACS} Appl. Mater. Interfaces},
  title     = {Asymmetric response of ferroelastic domain-Wall motion under applied bias},
  year      = {2016},
  number    = {5},
  pages     = {2935--2941},
  volume    = {8},
  doi       = {10.1021/acsami.5b08312},
  publisher = {American Chemical Society ({ACS})},
}

@Article{Ren13p187601,
  author    = {Ren, Wei and Yang, Yurong and Di{\'e}guez, Oswaldo and {\'I}{\~n}iguez, Jorge and Choudhury, Narayani and Bellaiche, L},
  title     = {Ferroelectric domains in multiferroic {BiFeO${_3}$} films under epitaxial strains},
  journal   = {Phys.\ Rev.\ Lett.},
  year      = {2013},
  volume    = {110},
  number    = {18},
  pages     = {187601},
  publisher = {APS},
}

@Article{Wang13p267601,
  author    = {Wang, Yi and Nelson, Chris and Melville, Alexander and Winchester, Benjamin and Shang, Shunli and Liu, Zi-Kui and Schlom, Darrell G and Pan, Xiaoqing and Chen, Long-Qing},
  journal   = {Phys. Rev. Lett.},
  title     = {{BiFeO$_3$} domain wall energies and structures: A combined experimental and density functional theory + {U} study},
  year      = {2013},
  number    = {26},
  pages     = {267601},
  volume    = {110},
  publisher = {APS},
}

@Article{Wu92p3385,
  author    = {Wu, Kaiwen and Schulze, Walter A},
  journal   = {J. Am. Ceram. Soc.},
  title     = {Effect of the ac field level on the aging of the dielectric response in polycrystalline {BaTiO$_3$}},
  year      = {1992},
  number    = {12},
  pages     = {3385--3389},
  volume    = {75},
  publisher = {Wiley Online Library},
}

@Article{Chaplya01p5278,
  author    = {Chaplya, Pavel M and Carman, Gregory P},
  journal   = {J. Appl. Phys.},
  title     = {Dielectric and piezoelectric response of lead zirconate--lead titanate at high electric and mechanical loads in terms of non-180 domain wall motion},
  year      = {2001},
  number    = {10},
  pages     = {5278--5286},
  volume    = {90},
  publisher = {AIP Publishing},
}

@Article{Shelke10p669,
  author    = {Vilas Shelke and Dipanjan Mazumdar and Gopalan Srinivasan and Amit Kumar and Stephen Jesse and Sergei Kalinin and Arthur Baddorf and Arunava Gupta},
  journal   = {Adv. Mater.},
  title     = {Reduced coercive field in {BiFeO}$_3$ thin films through domain engineering},
  year      = {2010},
  number    = {5},
  pages     = {669--672},
  volume    = {23},
  doi       = {10.1002/adma.201000807},
  publisher = {Wiley-Blackwell},
}

@Article{Yang10p174125,
  author    = {Yang, Sang Mo and Jo, Ji Young and Kim, TH and Yoon, J-G and Song, TK and Lee, Ho Nyung and Marton, Zsolt and Park, S and Jo, Y and Noh, Tae Won},
  journal   = {Phys. Rev. B},
  title     = {{ac} dynamics of ferroelectric domains from an investigation of the frequency dependence of hysteresis loops},
  year      = {2010},
  number    = {17},
  pages     = {174125-1--7},
  volume    = {82},
  publisher = {APS},
}

@Article{Rossetti98p3197,
  author  = {Rossetti Jr., G. A. and Cline, J. P. and Navrotsky, A.},
  journal = {J. Mater. Res.},
  title   = {Phase transition energetics and thermodynamic properties of ferroelectric PbTiO$_3$},
  year    = {1998},
  pages   = {3197--3206},
  volume  = {13},
}

@Article{Wojdel14p247603,
  author    = {Wojde{\l}, Jacek C and {\'I}{\~n}iguez, Jorge},
  journal   = {Phys. Rev. Lett.},
  title     = {Ferroelectric transitions at ferroelectric domain walls found from first principles},
  year      = {2014},
  number    = {24},
  pages     = {247603},
  volume    = {112},
  publisher = {APS},
}


@Article{Hooker98,
  author = {M. W. Hooker},
  title  = {Properties of PZT-based piezoelectric ceramics between -150 and 250 $^{\circ}$C},
  year   = {1998},
  pages  = {NASA/CR-1998-208708},
}

@Article{Ioffe87p6149,
  author    = {Ioffe, LB and Vinokur, VM},
  title     = {Dynamics of interfaces and dislocations in disordered media},
  journal   = {J. Phys. C},
  year      = {1987},
  volume    = {20},
  number    = {36},
  pages     = {6149},
  publisher = {IOP Publishing},
}

@Article{Abate14p3247,
  author    = {Abate, Antonio and Saliba, Michael and Hollman, Derek J. and Stranks, Samuel D. and Wojciechowski, Konrad and Avolio, Roberto and Grancini, Giulia and Petrozza, Annamaria and Snaith, Henry J.},
  journal   = {Nano Lett.},
  title     = {Supramolecular Halogen Bond Passivation of Organic-Inorganic Halide Perovskite Solar Cells},
  year      = {2014},
  number    = {6},
  pages     = {3247--3254},
  volume    = {14},
  doi       = {10.1021/nl500627x},
  oi        = {Abate, Antonio/0000-0002-3012-3541},
  ri        = {Abate, Antonio/F-2419-2010},
  sn        = {1530-6984; 1530-6992},
  tc        = {0},
  timestamp = {2014.07.11},
  ut        = {WOS:000337337100042},
  z8        = {0},
  z9        = {0},
  zb        = {0},
  zs        = {0},
}

@Article{Amat14p3608,
  author    = {Amat, Anna and Mosconi, Edoardo and Ronca, Enrico and Quarti, Claudio and Umari, Paolo and Nazeeruddin, Md. K. and Graetzel, Michael and De Angelis, Filippo},
  journal   = {Nano Lett.},
  title     = {Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin-Orbit Coupling and Octahedra Tilting},
  year      = {2014},
  number    = {6},
  pages     = {3608--3616},
  volume    = {14},
  doi       = {10.1021/nl5012992},
  sn        = {1530-6984; 1530-6992},
  tc        = {0},
  timestamp = {2014.07.11},
  ut        = {WOS:000337337100098},
  z8        = {0},
  z9        = {0},
  zb        = {0},
  zs        = {0},
}

@Article{Arend78p213,
  author  = {H. Arend and W. Huber and F.H. Mischgofsky and G.K. Richter-Van Leeuwen},
  journal = {J. Cryst. Growth},
  title   = {Layer Perovskites of the (C$_n$H$_{2n+1}$NH$_3$)$_2$MX$_4$ and NH$_3$(CH$_2$)$_m$NH$_3$MX$_4$ Families with M = Cd, Cu, Fe, Mn or Pd and X = Cl or Br: Importance, Solubilities and Simple Growth Techniques},
  year    = {1978},
  issn    = {0022-0248},
  number  = {2},
  pages   = {213 - 223},
  volume  = {43},
  doi     = {10.1016/0022-0248(78)90170-7},
  url     = {http://www.sciencedirect.com/science/article/pii/0022024878901707},
}

@Article{Baikie13p5628,
  Title                    = {Synthesis and Crystal Chemistry of the Hybrid Perovskite (CH$_3$NH$_3$)PbI$_3$ for Solid-State Sensitised Solar Cell Applications},
  Author                   = {Baikie, Tom and Fang, Yanan and Kadro, Jeannette M and Schreyer, Martin and Wei, Fengxia and Mhaisalkar, Subodh G and Graetzel, Michael and White, Tim J},
  Journal                  = {J. of Mater. Chem. A},
  Year                     = {2013},
  Number                   = {18},
  Pages                    = {5628--5641},
  Volume                   = {1},

  Publisher                = {Royal Society of Chemistry}
}

@Article{Bass14p15819,
  author    = {Kelsey K. Bass and R. Eric McAnally and Shiliang Zhou and Peter I. Djurovich and Mark E. Thompson and Brent C. Melot},
  journal   = {Chem. Commun.},
  title     = {Influence of Moisture on the Preparation, Crystal Structure, and Photophysical Properties of Organohalide Perovskites},
  year      = {2014},
  number    = {99},
  pages     = {15819--15822},
  volume    = {50},
  doi       = {10.1039/c4cc05231e},
  publisher = {Royal Society of Chemistry ({RSC})},
}

@Article{Buin14p6281,
  author   = {Buin, Andrei and Pietsch, Patrick and Xu, Jixian and Voznyy, Oleksandr and Ip, Alexander H. and Comin, Riccardo and Sargent, Edward H.},
  journal  = {Nano Lett.},
  title    = {Materials {Processing} {Routes} to {Trap}-{Free} {Halide} {Perovskites}},
  year     = {2014},
  issn     = {1530-6984},
  month    = nov,
  number   = {11},
  pages    = {6281--6286},
  volume   = {14},
  abstract = {Photovoltaic devices based on lead iodide perovskite films have seen rapid advancements, recently achieving an impressive 17.9\% certified solar power conversion efficiency. Reports have consistently emphasized that the specific choice of growth conditions and chemical precursors is central to achieving superior performance from these materials; yet the roles and mechanisms underlying the selection of materials processing route is poorly understood. Here we show that films grown under iodine-rich conditions are prone to a high density of deep electronic traps (recombination centers), while the use of a chloride precursor avoids the formation of key defects (Pb atom substituted by I) responsible for short diffusion lengths and poor photovoltaic performance. Furthermore, the lowest-energy surfaces of perovskite crystals are found to be entirely trap-free, preserving both electron and hole delocalization to a remarkable degree, helping to account for explaining the success of polycrystalline perovskite films. We construct perovskite films from I-poor conditions using a lead acetate precursor, and our measurement of a long (600 ? 40 nm) diffusion length confirms this new picture of the importance of growth conditions.},
  doi      = {10.1021/nl502612m},
  file     = {ACS Full Text PDF w/ Links:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/SJ24KVPV/Buin et al. - 2014 - Materials Processing Routes to Trap-Free Halide Pe.pdf:application/pdf;ACS Full Text Snapshot:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/CU5EGHX6/nl502612m.html:text/html},
  urldate  = {2015-05-19},
}

@Article{Carignano15p8991,
  author    = {Marcelo A. Carignano and Ali Kachmar and J\"{u}rg Hutter},
  journal   = {J. Phys. Chem. C},
  title     = {Thermal Effects on {CH}$_3${NH}$_3${PbI}$_3$ Perovskite from Ab Initio Molecular Dynamics Simulations},
  year      = {2015},
  month     = {apr},
  number    = {17},
  pages     = {8991--8997},
  volume    = {119},
  doi       = {10.1021/jp510568n},
  publisher = {American Chemical Society ({ACS})},
}

@Article{Chen14p164,
  author    = {Hsin-Wei Chen and Nobuya Sakai and Masashi Ikegami and Tsutomu Miyasaka},
  journal   = {J. Phys. Chem. Lett.},
  title     = {Emergence of Hysteresis and Transient Ferroelectric Response in Organo-Lead Halide Perovskite Solar Cells},
  year      = {2014},
  month     = {dec},
  pages     = {164--169},
  volume    = {6},
  doi       = {10.1021/jz502429u},
  publisher = {American Chemical Society ({ACS})},
}

@Article{Chen14p015034,
  author   = {Zhenhua Chen and Hui Li and Yongbing Tang and Xing Huang and Derek Ho and Chun-Sing Lee},
  journal  = {Mater. Res. Express},
  title    = {Shape-Controlled Synthesis of Organolead Halide Perovskite Nanocrystals and Their Tunable Optical Absorption},
  year     = {2014},
  number   = {1},
  pages    = {015034--015043},
  volume   = {1},
  abstract = {Hybrid organolead halide perovskites (CH 3 NH 3 PbI 3 ) with polymorphic structures have been successfully synthesized by controlling their solubility in solvents with different polarities. Crystal formation stages of the perovskites have been demonstrated for the first time. Shape changes of such perovskites are accompanied by transition in their crystal structures and variation of optical properties. Herein, a new trigonal phase for CH 3 NH 3 PbI 3 has been observed with a rod-like morphology. Photoemission study indicates a significant red shift in the perovskite nanoparticles, compared to that of the rod-like nanocrystals. This solvent-controlled formation of polymorphic phases provide an additional approach for controlling the optical properties of CH 3 NH 3 PbI 3 for various optoelectronic applications.},
  url      = {http://stacks.iop.org/2053-1591/1/i=1/a=015034},
}

@Article{Cheng10p2646,
  author    = {Cheng, Ziyong and Lin, Jun},
  journal   = {CrystEngComm},
  title     = {Layered Organic-Inorganic Hybrid Perovskites: Structure{,} Optical Properties{,} Film Preparation{,} Patterning and Templating Engineering},
  year      = {2010},
  pages     = {2646-2662},
  volume    = {12},
  abstract  = {Organic-inorganic perovskites are a class of interesting compound in the perovskite family due to their unique structures of alternately stacking sheets of organic and inorganic components on the molecular scale. In this highlight{,} the basic knowledge and recent advances in organic-inorganic perovskites are reviewed with particular emphasis on the feature work including: the novel <110>- and <111>-oriented perovskite structures{,} synthesis{,} film preparation{,} patterning methods and optoelectronic properties of hybrid perovskites. Moreover{,} the small functional organic molecules can be templated into a regular arrangement by the inorganic perovskite framework. This unique material with nature-formed lamellar structure has the potential to be used as a template to create novel derivatives and bring about unique physical properties. Some interesting examples{,} such as intercalated polymer and silica network by topochemical polymerisation{,} fabrication of disk-like semiconductor nanocrystals and metal nanoparticles by hybrid perovskite templates are described.},
  doi       = {10.1039/C001929A},
  issue     = {10},
  publisher = {The Royal Society of Chemistry},
}

@Article{Christians15p1530,
  author    = {Jeffrey A. Christians and Pierre A. Miranda Herrera and Prashant V. Kamat},
  journal   = {J. Am. Chem. Soc.},
  title     = {Transformation of the Excited State and Photovoltaic Efficiency of CH$_{3}$NH$_{3}$PbI$_{3}$ Perovskite upon Controlled Exposure to Humidified Air},
  year      = {2015},
  month     = {feb},
  number    = {4},
  pages     = {1530--1538},
  volume    = {137},
  doi       = {10.1021/ja511132a},
  publisher = {American Chemical Society ({ACS})},
}

@Article{Coll15p1408,
  author  = {Coll, Mariona and Gomez, Andr?s and Mas-Marza, Elena and Almora, Osbel and Garcia-Belmonte, Germ?? and Campoy-Quiles, Mariano and Bisquert, Juan},
  journal = {J. Phys. Chem. Lett.},
  title   = {Polarization {Switching} and {Light}-{Enhanced} {Piezoelectricity} in {Lead} {Halide} {Perovskites}},
  year    = {2015},
  issn    = {1948-7185},
  month   = apr,
  number  = {8},
  pages   = {1408--1413},
  volume  = {6},
  doi     = {10.1021/acs.jpclett.5b00502},
  file    = {Full Text PDF:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/UR323IDA/Coll et al. - 2015 - Polarization Switching and Light-Enhanced Piezoele.pdf:application/pdf;Snapshot:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/3WVXWVZQ/acs.jpclett.html:text/html},
  urldate = {2015-04-23},
}

@Article{Dahan06p152902,
  author    = {D. Dahan and M. Molotskii and G. Rosenman and Y. Rosenwaks},
  journal   = {Appl. Phys. Lett.},
  title     = {Ferroelectric Domain Inversion: The Role of Humidity},
  year      = {2006},
  number    = {15},
  pages     = {152902},
  volume    = {89},
  doi       = {10.1063/1.2358855},
  publisher = {{AIP} Publishing},
}

@Article{Dang14p665,
  author   = {Dang, Yangyang and Liu, Yang and Sun, Youxuan and Yuan, Dongsheng and Liu, Xiaolong and Lu, Weiqun and Liu, Guangfeng and Xia, Haibing and Tao, Xutang},
  journal  = {CrystEngComm},
  title    = {Bulk Crystal Growth of Hybrid Perovskite Material {CH}$_3$NH$_3$PbI$_3$},
  year     = {2014},
  issn     = {1466-8033},
  month    = dec,
  number   = {3},
  pages    = {665--670},
  volume   = {17},
  abstract = {Organic???inorganic hybrid perovskite materials have been receiving considerable attention due to their promising applications in many optoelectronic fields. However, some of the fundamental properties of perovskite materials are still disputed, because most of them are derived from a thin-film state. To comprehend the intrinsic characteristics in a single crystal, herein we report, for the first time, the bulk crystal growth of CH3NH3PbI3. Single crystals of tetragonal CH3NH3PbI3 with dimensions of 10 mm ?? 10 mm ?? 8 mm were grown by a temperature-lowering method in HI solution. Studies in to the refinement and orientations of the CH3NH3PbI3 single crystal structure were conducted based on a high quality crystal. The absorption edge of a CH3NH3PbI3 single crystal was located at about 836 nm, indicating that the band gap of CH3NH3PbI3 is approximately 1.48 eV, which is close to the theoretical results and smaller than those derived from polycrystalline and thin-films. CH3NH3PbI3 crystal exhibits a relatively wide absorption (from 250 nm to 800 nm) and a relatively good thermal stability.},
  doi      = {10.1039/C4CE02106A},
  file     = {Full Text PDF:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/9KVJ4RWH/Dang et al. - 2014 - Bulk crystal growth of hybrid perovskite material .pdf:application/pdf;Snapshot:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/UXHD7SAN/C4CE02106A.html:text/html},
  language = {en},
  url      = {http://pubs.rsc.org/en/content/articlelanding/2015/ce/c4ce02106a},
  urldate  = {2015-05-20},
}

@Article{Delugas15p045301,
  author    = {Delugas, Pietro and Filippetti, Alessio and Mattoni, Alessandro},
  journal   = {Phys. Rev. B},
  title     = {Methylammonium Fragmentation in Amines As Source of Localized Trap Levels and the Healing Role of Cl in Hybrid Lead-Iodide Perovskites},
  year      = {2015},
  month     = {Jul},
  pages     = {045301},
  volume    = {92},
  doi       = {10.1103/PhysRevB.92.045301},
  issue     = {4},
  numpages  = {11},
  publisher = {American Physical Society},
}

@Article{Deschler14p1421,
  author    = {Deschler, Felix and Price, Michael and Pathak, Sandeep and Klintberg, Lina E. and Jarausch, David-Dominik and Higler, Ruben and Huettner, Sven and Leijtens, Tomas and Stranks, Samuel D. and Snaith, Henry J. and Atatuere, Mete and Phillips, Richard T. and Friend, Richard H.},
  journal   = {J. Phys. Chem. Lett.},
  title     = {High Photoluminescence Efficiency and Optically Pumped Lasing in Solution-Processed Mixed Halide Perovskite Semiconductors},
  year      = {2014},
  month     = apr,
  number    = {8},
  pages     = {1421--1426},
  volume    = {5},
  doi       = {10.1021/jz5005285},
  sn        = {1948-7185},
  tc        = {0},
  timestamp = {2014.07.11},
  ut        = {WOS:000334731700020},
  z8        = {0},
  z9        = {0},
  zb        = {0},
  zs        = {0},
}

@Article{Sabba14p13854,
  author    = {Dharani, Sabba and Dewi, Herlina Arianita and Prabhakar, Rajiv Ramanujam and Baikie, Tom and Shi, Chen and Yonghua, Du and Mathews, Nripan and Boix, Pablo P. and Mhaisalkar, Subodh G.},
  journal   = {Nanoscale},
  title     = {Incorporation of Cl into Sequentially Deposited Lead Halide Perovskite Films for Highly Efficient Mesoporous Solar Cells},
  year      = {2014},
  pages     = {13854-13860},
  volume    = {6},
  abstract  = {Organic-inorganic lead halide perovskites have been widely used as absorbers on mesoporous TiO2 films as well as thin films in planar heterojunction solar cells{,} yielding very high photovoltaic conversion efficiencies. Both the addition of chloride and sequential deposition methods were successfully employed to enhance the photovoltaic performance. Here{,} both approaches are combined in a sequential method by spincoating PbCl2 + PbI2 on a mesoporous TiO2 film followed by the perovskite transformation. The role of Cl in determining the optical{,} electrical{,} structural and morphological properties is correlated with the photovoltaic performance. The highest photovoltaic efficiency of 14.15% with the Voc{,} FF and Jsc being 1.09 V{,} 0.65 and 19.91 mA cm-2 respectively was achieved with 10 mol% of PbCl2 addition due to an increase of the film conductivity induced by a better perovskite morphology. This is linked to an improvement of the hysteresis and reproducibility of the solar cells.},
  doi       = {10.1039/C4NR04007D},
  issue     = {22},
  publisher = {The Royal Society of Chemistry},
}

@Article{Dohner14p1718,
  author  = {Dohner, Emma R. and Hoke, Eric T. and Karunadasa, Hemamala I.},
  journal = {J. Am. Chem. Soc.},
  title   = {Self-Assembly of Broadband White-Light Emitters},
  year    = {2014},
  number  = {5},
  pages   = {1718-1721},
  volume  = {136},
  doi     = {10.1021/ja411045r},
  eprint  = {http://dx.doi.org/10.1021/ja411045r},
}

@Article{Dohner14p13154,
  author  = {Dohner, Emma R. and Jaffe, Adam and Bradshaw, Liam R. and Karunadasa, Hemamala I.},
  journal = {J. Am. Chem. Soc.},
  title   = {Intrinsic White-Light Emission from Layered Hybrid Perovskites},
  year    = {2014},
  number  = {38},
  pages   = {13154-13157},
  volume  = {136},
  doi     = {10.1021/ja507086b},
  eprint  = {http://dx.doi.org/10.1021/ja507086b},
}

@Article{Du14p9091,
  author    = {Du, M. H.},
  journal   = {J. Mater. Chem. A},
  title     = {Efficient Carrier Transport in Halide Perovskites: Theoretical Perspectives},
  year      = {2014},
  number    = {24},
  pages     = {9091--9098},
  volume    = {2},
  doi       = {10.1039/c4ta01198h},
  sn        = {2050-7488; 2050-7496},
  tc        = {0},
  timestamp = {2014.07.11},
  ut        = {WOS:000336850600019},
  z8        = {0},
  z9        = {0},
  zb        = {0},
  zs        = {0},
}

@Article{Dualeh14p362,
  author    = {Dualeh, Amalie and Moehl, Thomas and Tetreault, Nicolas and Teuscher, Joel and Gao, Peng and Nazeeruddin, Mohammad Khaja and Graetzel, Michael},
  journal   = {ACS Nano},
  title     = {Impedance Spectroscopic Analysis of Lead Iodide Perovskite-Sensitized Solid-State Solar Cells},
  year      = {2014},
  number    = {1},
  pages     = {362--373},
  volume    = {8},
  doi       = {10.1021/nn404323g},
  oi        = {Gao, Peng/0000-0002-6016-3229},
  ri        = {Nazeeruddin, Md./B-1323-2008; Gao, Peng/F-3114-2012},
  sn        = {1936-0851; 1936-086X},
  tc        = {6},
  timestamp = {2014.07.11},
  ut        = {WOS:000330542900036},
  z8        = {0},
  z9        = {6},
  zb        = {0},
  zs        = {0},
}

@Article{Edri14p1000,
  author    = {Edri, Eran and Kirmayer, Saar and Henning, Alex and Mukhopadhyay, Sabyasachi and Gartsman, Konstantin and Rosenwaks, Yossi and Hodes, Gary and Cahen, David},
  journal   = {Nano Lett.},
  title     = {Why Lead Methylammonium Tri-Iodide Perovskite-Based Solar Cells Require a Mesoporous Electron Transporting Scaffold (but Not Necessarily a Hole Conductor)},
  year      = {2014},
  month     = feb,
  number    = {2},
  pages     = {1000--1004},
  volume    = {14},
  doi       = {10.1021/nl404454h},
  oi        = {Edri, Eran/0000-0003-4593-6489},
  ri        = {Edri, Eran/G-8630-2014},
  sn        = {1530-6984; 1530-6992},
  tc        = {7},
  timestamp = {2014.07.11},
  ut        = {WOS:000331343900092},
  z8        = {0},
  z9        = {7},
  zb        = {0},
  zs        = {0},
}

@Article{Egger15p,
  Title                    = {Theory of Hydrogen Migration in Organic-Inorganic Halide Perovskites},
  Author                   = {D. A. Egger and L. Kronik and A. M. Rappe},
  Journal                  = {Ange. Chem. Int. Ed.},
  Year                     = {2015},
  Pages                    = {in press}
}

@Article{Etgar12p17396,
  author    = {Etgar, Lioz and Gao, Peng and Xue, Zhaosheng and Peng, Qin and Chandiran, Aravind Kumar and Liu, Bin and Nazeeruddin, Md. K. and Graetzel, Michael},
  journal   = {J. Am. Chem. Soc.},
  title     = {Mesoscopic {CH$_3$NH$_3$PbI$_3$/TiO$_2$} Heterojunction Solar Cells},
  year      = {2012},
  month     = oct,
  number    = {42},
  pages     = {17396--17399},
  volume    = {134},
  doi       = {10.1021/ja307789s},
  oi        = {Liu, Bin/0000-0002-0956-2777; Gao, Peng/0000-0002-6016-3229;},
  ri        = {Liu, Bin/K-6445-2012; Etgar, Lioz/J-2099-2012; Gao, Peng/F-3114-2012; Ma, Fei/A-1353-2014; Nazeeruddin, Md./B-1323-2008},
  sn        = {0002-7863},
  tc        = {102},
  timestamp = {2014.07.11},
  ut        = {WOS:000310103800017},
  z8        = {2},
  z9        = {103},
  zb        = {9},
  zs        = {0},
}

@Article{Even13p2999,
  author    = {Even, Jacky and Pedesseau, Laurent and Jancu, Jean-Marc and Katan, Claudine},
  journal   = {J. Phys. Chem. Lett.},
  title     = {Importance of Spin--Orbit Coupling in Hybrid Organic/Inorganic Perovskites for Photovoltaic Applications},
  year      = {2013},
  number    = {17},
  pages     = {2999--3005},
  volume    = {4},
  publisher = {ACS Publications},
}

@Article{Fan15p1155,
  author   = {Fan, Zhen and Xiao, Juanxiu and Sun, Kuan and Chen, Lei and Hu, Yating and Ouyang, Jianyong and Ong, Khuong P. and Zeng, Kaiyang and Wang, John},
  journal  = {J. Phys. Chem. Lett.},
  title    = {Ferroelectricity of {CH}$_3$NH$_3$PbI$_3$ {Perovskite}},
  year     = {2015},
  issn     = {1948-7185},
  month    = apr,
  number   = {7},
  pages    = {1155--1161},
  volume   = {6},
  abstract = {Ferroelectricity has been believed to be an important but controversial origin of the excellent photovoltaic performance of organometal trihalide perovskites (OTPs). Here we investigate the ferroelectricity of a prototype OTP, CH3NH3PbI3 (MAPbI3), both theoretically and experimentally. Our first-principles calculations based on 3-D periodic boundary conditions reveal that a ferroelectric structure with polarization of ?8 ?C/cm2 is the globally stable one among all possible tetragonal structures; however, experimentally no room-temperature ferroelectricity is observed by using polarization?electric field hysteresis measurements and piezoresponse force microscopy. The discrepancy between our theoretical and experimental results is attributed to the dynamic orientational disorder of MA+ groups and the semiconducting nature of MAPbI3 at room temperature. Therefore, we conclude that MAPbI3 is not ferroelectric at room temperature; however, it is possible to induce and experimentally observe apparent ferroelectric behavior through our proposed ways. Our results clarify the controversy of the ferroelectricity in MAPbI3 and also provide valuable guidance for future studies on this active topic.},
  doi      = {10.1021/acs.jpclett.5b00389},
  file     = {ACS Full Text PDF w/ Links:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/NKFT9BIH/Fan et al. - 2015 - Ferroelectricity of CH3NH3PbI3 Perovskite.pdf:application/pdf;ACS Full Text Snapshot:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/MW53BM22/acs.jpclett.html:text/html},
  urldate  = {2015-05-19},
}

@Article{Filip14p5757,
  author    = {Filip, Marina R and Eperon, Giles E and Snaith, Henry J and Giustino, Feliciano},
  journal   = {Nat. Commun.},
  title     = {Steric Engineering of Metal-Halide Perovskites with Tunable Optical Band Gaps},
  year      = {2014},
  pages     = {5757-1--9},
  volume    = {5},
  publisher = {Nature Publishing Group},
}

@Article{Filip14p245145,
  author    = {Filip, Marina R. and Giustino, Feliciano},
  journal   = {Phys. Rev. B},
  title     = {$GW$ Quasiparticle Band Gap of the Hybrid Organic-Inorganic Perovskite ${\mathrm{CH}}_{3}{\mathrm{NH}}_{3}{\mathrm{PbI}}_{3}$: Effect of Spin-Orbit Interaction, Semicore Electrons, and Self-Consistency},
  year      = {2014},
  month     = {Dec},
  pages     = {245145},
  volume    = {90},
  doi       = {10.1103/PhysRevB.90.245145},
  issue     = {24},
  numpages  = {10},
  publisher = {American Physical Society},
}

@Article{Frost14p2584,
  author    = {Frost, Jarvist M and Butler, Keith T and Brivio, Federico and Hendon, Christopher H and van Schilfgaarde, Mark and Walsh, Aron},
  journal   = {Nano Lett.},
  title     = {Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells},
  year      = {2014},
  number    = {5},
  pages     = {2584--2590},
  volume    = {14},
  publisher = {ACS Publications},
}

@Article{Frost14p081506,
  author  = {Frost, Jarvist M. and Butler, Keith T. and Walsh, Aron},
  journal = {APL Mater.},
  title   = {Molecular Ferroelectric Contributions to Anomalous Hysteresis in Hybrid Perovskite Solar Cells},
  year    = {2014},
  pages   = {081506},
  volume  = {2},
}

@Article{Giorgi15p4694,
  author  = {Giorgi, Giacomo and Fujisawa, Jun-Ichi and Segawa, Hiroshi and Yamashita, Koichi},
  journal = {J. Phys. Chem. C},
  title   = {Organic--Inorganic Hybrid Lead Iodide Perovskite Featuring Zero Dipole Moment Guanidinium Cations: A Theoretical Analysis},
  year    = {2015},
  number  = {9},
  pages   = {4694-4701},
  volume  = {119},
  doi     = {10.1021/acs.jpcc.5b00051},
  eprint  = {http://dx.doi.org/10.1021/acs.jpcc.5b00051},
}

@Article{Giovanni15p1553,
  author    = {Giovanni, David and Ma, Hong and Chua, Julianto and Gr\"{a}tzel, Michael and Ramesh, Ramamoorthy and Mhaisalkar, Subodh and Mathews, Nripan and Sum, Tze Chien},
  journal   = {Nano Lett.},
  title     = {Highly Spin-Polarized Carrier Dynamics and Ultralarge Photoinduced Magnetization in CH$_{3}$NH$_{3}$PbI$_{3}$ Perovskite Thin Films},
  year      = {2015},
  number    = {3},
  pages     = {1553--1558},
  volume    = {15},
  publisher = {ACS Publications},
}

@Article{Goldschmidt26p477,
  Title                    = {Die Gesetzte Der Krystallochemie},
  Author                   = {V. M. Goldschmidt},
  Journal                  = {Die Naturwissenschaften},
  Year                     = {1926},
  Pages                    = {477-485},
  Volume                   = {21}
}

@Article{Gottesman14p2662,
  author    = {Gottesman, Ronen and Haltzi, Eynav and Gouda, Laxman and Tirosh, Shay and Bouhadana, Yaniv and Zaban, Arie and Mosconi, Edoardo and De Angelis, Filippo},
  journal   = {J. Phys. Chem. Lett.},
  title     = {Extremely Slow Photoconductivity Response of CH$_3$NH$_3$PbI$_3$ Perovskites Suggesting Structural Changes Under Working Conditions},
  year      = {2014},
  number    = {15},
  pages     = {2662--2669},
  volume    = {5},
  publisher = {ACS Publications},
}

@Article{Hailegnaw15p1543,
  author    = {Bekele Hailegnaw and Saar Kirmayer and Eran Edri and Gary Hodes and David Cahen},
  journal   = {J. Phys. Chem. Lett.},
  title     = {Rain on Methylammonium Lead Iodide Based Perovskites: Possible Environmental Effects of Perovskite Solar Cells},
  year      = {2015},
  month     = {may},
  number    = {9},
  pages     = {1543--1547},
  volume    = {6},
  doi       = {10.1021/acs.jpclett.5b00504},
  publisher = {American Chemical Society ({ACS})},
}

@Article{Han14p2068,
  author  = {Han, Jing and Nishihara, Sadafumi and Inoue, Katsuya and Kurmoo, Mohamedally},
  journal = {Inorg. Chem.},
  title   = {On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-like (CH$_3$NH$_3$)$_2$[FeIICl$_4$]},
  year    = {2014},
  number  = {4},
  pages   = {2068-2075},
  volume  = {53},
  doi     = {10.1021/ic402535u},
  eprint  = {http://dx.doi.org/10.1021/ic402535u},
}

@Article{Hao14p489,
  author    = {Hao, Feng and Stoumpos, Constantinos C. and Duyen Hanh Cao and Chang, Robert P. H. and Kanatzidis, Mercouri G.},
  journal   = {Nat. Photonics},
  title     = {Lead-Free Solid-State Organic-Inorganic Halide Perovskite Solar Cells},
  year      = {2014},
  number    = {6},
  pages     = {489--494},
  volume    = {8},
  doi       = {10.1038/nphoton.2014.82},
  sn        = {1749-4885; 1749-4893},
  tc        = {0},
  timestamp = {2014.07.11},
  ut        = {WOS:000336972000016},
  z8        = {0},
  z9        = {0},
  zb        = {0},
  zs        = {0},
}

@Article{Haruyama14p2903,
  author    = {Jun Haruyama and Keitaro Sodeyama and Liyuan Han and Yoshitaka Tateyama},
  journal   = {J. Phys. Chem. Lett.},
  title     = {Termination Dependence of Tetragonal CH$_{3}$NH$_{3}$PbI$_{3}$ Surfaces for Perovskite Solar Cells},
  year      = {2014},
  month     = {aug},
  number    = {16},
  pages     = {2903--2909},
  volume    = {5},
  doi       = {10.1021/jz501510v},
  publisher = {American Chemical Society ({ACS})},
}

@Article{He14p5394,
  author    = {Yuping He and Giulia Galli},
  journal   = {Chem. Mater.},
  title     = {Perovskites for Solar Thermoelectric Applications: A First Principle Study of CH$_{3}$NH$_{3}$\emph{A}I$_{3}$ (\emph{A} = Pb and Sn)},
  year      = {2014},
  month     = {sep},
  number    = {18},
  pages     = {5394--5400},
  volume    = {26},
  doi       = {10.1021/cm5026766},
  publisher = {American Chemical Society ({ACS})},
}

@Article{Hoke15p613,
  author    = {Hoke, Eric T and Slotcavage, Daniel J and Dohner, Emma R and Bowring, Andrea R and Karunadasa, Hemamala I and McGehee, Michael D},
  journal   = {Chem. Sci.},
  title     = {Reversible Photo-Induced Trap Formation in Mixed-Halide Hybrid Perovskites for Photovoltaics},
  year      = {2015},
  number    = {1},
  pages     = {613--617},
  volume    = {6},
  publisher = {Royal Society of Chemistry},
}

@Article{Hsiao15pASAP,
  author   = {Hsiao, Yu-Che and Wu, Ting and Li, Mingxing and Hu, Bin},
  journal  = {Adv. Mater.},
  title    = {Magneto-Optical Studies on Spin-Dependent Charge Recombination and Dissociation in Perovskite Solar Cells},
  year     = {2015},
  issn     = {1521-4095},
  number   = {18},
  pages    = {2899-2906},
  volume   = {27},
  doi      = {10.1002/adma.201405946},
  keywords = {charge dissociation, charge recombination, magneto-photocurrent, magneto-photoluminescence, perovskite solar cells},
}

@Article{Im11p4088,
  Title                    = {6.5\% Efficient Perovskite Quantum-Dot-Sensitized Solar Cell},
  Author                   = {Im, Jeong-Hyeok and Lee, Chang-Ryul and Lee, Jin-Wook and Park, Sang-Won and Park, Nam-Gyu},
  Journal                  = {Nanoscale},
  Year                     = {2011},
  Number                   = {10},
  Pages                    = {4088--4093},
  Volume                   = {3},

  Publisher                = {The Royal Society of Chemistry}
}

@Article{Ito14p16995,
  author  = {Ito, Seigo and Tanaka, Soichiro and Manabe, Kyohei and Nishino, Hitoshi},
  journal = {J. Phys. Chem. C},
  title   = {Effects of Surface Blocking Layer of Sb$_{2}$S$_{3}$ on Nanocrystalline TiO$_{2}$ for CH$_{3}$NH$_{3}$PbI$_{3}$ Perovskite Solar Cells},
  year    = {2014},
  number  = {30},
  pages   = {16995-17000},
  volume  = {118},
  doi     = {10.1021/jp500449z},
  eprint  = {http://dx.doi.org/10.1021/jp500449z},
}

@Article{Jena15p9817,
  Title                    = {The Interface Between FTO and TiO2 Compact Layer Can Be One of the Origins to Hysteresis in Planar Heterojunction Perovskite Solar Cells},
  Author                   = {Jena, Ajay Kumar and Hsin-Wei, Chen and Kogo, Atsushi and Sanehira, Yoshitaka and Ikegami, Masashi and Miyasaka, Tsutomu},
  Journal                  = {ACS applied materials \& interfaces},
  Year                     = {2015},
  Pages                    = {9817--9823},

  Publisher                = {ACS Publications}
}

@Article{Jeon14p7837,
  author    = {Jeon, Nam Joong and Lee, Hag Geun and Kim, Young Chan and Seo, Jangwon and Noh, Jun Hong and Lee, Jaemin and Seok, Sang Il},
  journal   = {J. Am. Chem. Soc.},
  title     = {O-Methoxy Substituents in Spiro-OMeTAD for Efficient Inorganic-Organic Hybrid Perovskite Solar Cells},
  year      = {2014},
  month     = jun,
  number    = {22},
  pages     = {7837--7840},
  volume    = {136},
  doi       = {10.1021/ja502824c},
  sn        = {0002-7863},
  tc        = {0},
  timestamp = {2014.07.11},
  ut        = {WOS:000337014400014},
  z8        = {0},
  z9        = {0},
  zb        = {0},
  zs        = {0},
}

@Article{Jiang15p1,
  author    = {Jiang, Qinglong and Rebollar, Dominic and Gong, Jue and Piacentino, Elettra L. and Zheng, Chong and Xu, Tao},
  journal   = {Angew. Chem. Int. Ed.},
  title     = {Pseudohalide-Induced Moisture Tolerance in Perovskite CH$_{3}$NH$_{3}$Pb(SCN)$_{2}$I Thin Films},
  year      = {2015},
  issn      = {1521-3773},
  number    = {26},
  pages     = {7617-7620},
  volume    = {54},
  doi       = {10.1002/anie.201503038},
  keywords  = {moisture tolerance, perovskite phases, pseudohalides, solar cells, thiocyanates},
  publisher = {WILEY-VCH Verlag},
}

@Article{Juarez-Perez14p2390,
  author   = {Juarez-Perez, Emilio J. and Sanchez, Rafael S. and Badia, Laura and Garcia-Belmonte, Germ?? and Kang, Yong Soo and Mora-Sero, Ivan and Bisquert, Juan},
  journal  = {J. Phys. Chem. Lett.},
  title    = {Photoinduced {Giant} {Dielectric} {Constant} in {Lead} {Halide} {Perovskite} {Solar} {Cells}},
  year     = {2014},
  issn     = {1948-7185},
  month    = jul,
  number   = {13},
  pages    = {2390--2394},
  volume   = {5},
  abstract = {Organic?inorganic lead trihalide perovskites have emerged as an outstanding photovoltaic material that demonstrated a high 17.9\% conversion efficiency of sunlight to electricity in a short time. We have found a giant dielectric constant (GDC) phenomenon in these materials consisting on a low frequency dielectric constant in the dark of the order of ?0 = 1000. We also found an unprecedented behavior in which ?0 further increases under illumination or by charge injection at applied bias. We observe that ?0 increases nearly linearly with the illumination intensity up to an additional factor 1000 under 1 sun. Measurement of a variety of samples of different morphologies, compositions, and different types of contacts shows that the GDC is an intrinsic property of MAPbX3 (MA = CH3NH3+). We hypothesize that the large dielectric response is induced by structural fluctuations. Photoinduced carriers modify the local unit cell equilibrium and change the polarizability, assisted by the freedom of rotation of MA. The study opens a way for the understanding of a key aspect of the photovoltaic operation of high efficiency perovskite solar cells.},
  doi      = {10.1021/jz5011169},
  file     = {ACS Full Text PDF w/ Links:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/W2C8RMA7/Juarez-Perez et al. - 2014 - Photoinduced Giant Dielectric Constant in Lead Hal.pdf:application/pdf;ACS Full Text Snapshot:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/PEGGQ8J3/jz5011169.html:text/html},
  urldate  = {2015-05-08},
}

@Article{Jung14p10,
  author    = {Hyun Suk Jung and Nam-Gyu Park},
  journal   = {Small},
  title     = {Perovskite Solar Cells: From Materials to Devices},
  year      = {2014},
  month     = {oct},
  number    = {1},
  pages     = {10--25},
  volume    = {11},
  doi       = {10.1002/smll.201402767},
  publisher = {Wiley-Blackwell},
}

@Article{Kempe14p1159,
  author   = {Kempe, Michael D. and Dameron, Arrelaine A. and Reese, Matthew O.},
  journal  = {Prog. Photovoltaics Res. Appl.},
  title    = {Evaluation of Moisture Ingress from the Perimeter of Photovoltaic Modules},
  year     = {2014},
  issn     = {1099-159X},
  number   = {11},
  pages    = {1159--1171},
  volume   = {22},
  doi      = {10.1002/pip.2374},
  keywords = {photovoltaic, edge-seal, moisture, humidity, polyisobutylene, desiccant, encapsulant},
}

@Article{Kieslich15p3430,
  author    = {Kieslich, Gregor and Sun, Shijing and Cheetham, Anthony K.},
  journal   = {Chem. Sci.},
  title     = {An Extended Tolerance Factor Approach for Organic-Inorganic Perovskites},
  year      = {2015},
  pages     = {3430-3433},
  volume    = {6},
  abstract  = {Goldschmidt{'}s concept of ionic Tolerance Factors was recently shown to be a valuable guideline for the preparation of new compounds within the field of organic-inorganic perovskites. Here{,} we extend this approach and calculate Tolerance Factors for over 2500 amine-metal-anion permutations of the periodic table. The results suggest the potential existence of more than 600 undiscovered hybrid perovskites including alkaline earth metal and lanthanide based materials.},
  doi       = {10.1039/C5SC00961H},
  issue     = {6},
  publisher = {The Royal Society of Chemistry},
}

@Article{Kieslich14p4712,
  author    = {Kieslich, Gregor and Sun, Shijing and Cheetham, Anthony K.},
  journal   = {Chem. Sci.},
  title     = {Solid-State Principles Applied to Organic-Inorganic Perovskites: New Tricks for an Old Dog},
  year      = {2014},
  pages     = {4712-4715},
  volume    = {5},
  abstract  = {Hybrid organic-inorganic materials that adopt perovskite-like architectures show intriguing order-disorder phase transitions and exciting electronic properties. We extend the classical concept of ionic tolerance factors to this important class of materials and predict the existence of several hitherto undiscovered hybrid perovskite phases.},
  doi       = {10.1039/C4SC02211D},
  issue     = {12},
  publisher = {The Royal Society of Chemistry},
}

@Article{Kim15p1729,
  author    = {Hui-Seon Kim and Sung Kyun Kim and Byeong Jo Kim and Kyung-Sik Shin and Manoj Kumar Gupta and Hyun Suk Jung and Sang-Woo Kim and Nam-Gyu Park},
  journal   = {J. Phys. Chem. Lett.},
  title     = {Ferroelectric Polarization in CH$_3$NH$_3$PbI$_3$ Perovskite},
  year      = {2015},
  month     = {may},
  number    = {9},
  pages     = {1729--1735},
  volume    = {6},
  doi       = {10.1021/acs.jpclett.5b00695},
  publisher = {American Chemical Society ({ACS})},
}

@Article{Kim14p2927,
  author    = {Kim, Hui-Seon and Park, Nam-Gyu},
  journal   = {J. Phys. Chem. Lett.},
  title     = {Parameters Affecting \emph{I}--\emph{V} Hysteresis of CH$_{3}$NH$_{3}$PbI$_{3}$ Perovskite Solar Cells: Effects of Perovskite Crystal Size and Mesoporous TiO$_{2}$ Layer},
  year      = {2014},
  number    = {17},
  pages     = {2927--2934},
  volume    = {5},
  publisher = {ACS Publications},
}

@Article{Kim14p1312,
  author    = {Kim, Jongseob and Lee, Sung-Hoon and Lee, Jung Hoon and Hong, Ki-Ha},
  journal   = {J. Phys. Chem. Lett.},
  title     = {The Role of Intrinsic Defects in Methylammonium Lead Iodide Perovskite},
  year      = {2014},
  number    = {8},
  pages     = {1312--1317},
  volume    = {5},
  doi       = {10.1021/jz500370k},
  sn        = {1948-7185},
  tc        = {0},
  timestamp = {2014.07.11},
  ut        = {WOS:000334731700004},
  z8        = {0},
  z9        = {0},
  zb        = {0},
  zs        = {0},
}

@Article{Kim14p6900,
  Title                    = {Switchable \emph{S}= 1/2 and \emph{J}= 1/2 Rashba Bands in Ferroelectric Halide Perovskites},
  Author                   = {Kim, Minsung and Im, Jino and Freeman, Arthur J and Ihm, Jisoon and Jin, Hosub},
  Journal                  = {Proc. Natl. Acad. Sci.},
  Year                     = {2014},
  Number                   = {19},
  Pages                    = {6900--6904},
  Volume                   = {111},

  Publisher                = {National Acad Sciences}
}

@Article{Koh13p16458,
  author  = {Koh, Teck Ming and Fu, Kunwu and Fang, Yanan and Chen, Shi and Sum, T. C. and Mathews, Nripan and Mhaisalkar, Subodh G. and Boix, Pablo P. and Baikie, Tom},
  journal = {J. Phys. Chem. C},
  title   = {Formamidinium-Containing Metal-Halide: An Alternative Material for Near-IR Absorption Perovskite Solar Cells},
  year    = {2014},
  number  = {30},
  pages   = {16458-16462},
  volume  = {118},
  doi     = {10.1021/jp411112k},
  eprint  = {http://dx.doi.org/10.1021/jp411112k},
}

@Article{Kojima09p6050,
  author    = {Kojima, Akihiro and Teshima, Kenjiro and Shirai, Yasuo and Miyasaka, Tsutomu},
  journal   = {J. Am. Chem. Soc.},
  title     = {Organometal Halide Perovskites As Visible-Light Sensitizers for Photovoltaic Cells},
  year      = {2009},
  number    = {17},
  pages     = {6050--6051},
  volume    = {131},
  publisher = {ACS Publications},
}

@Article{Kutes14p3335,
  author    = {Kutes, Yasemin and Ye, Linghan and Zhou, Yuanyuan and Pang, Shuping and Huey, Bryan D and Padture, Nitin P},
  journal   = {J. Phys. Chem. Lett.},
  title     = {Direct Observation of Ferroelectric Domains in Solution-Processed {CH$_3$NH$_3$PbI$_3$} Perovskite Thin Films},
  year      = {2014},
  number    = {19},
  pages     = {3335--3339},
  volume    = {5},
  publisher = {ACS Publications},
}

@Article{Lee14p4991,
  author   = {Lee, Jin-Wook and Seol, Dong-Jin and Cho, An-Na and Park, Nam-Gyu},
  journal  = {Adv. Mater.},
  title    = {High-Efficiency Perovskite Solar Cells Based on the Black Polymorph of HC(NH$_2$)$_2$PbI$_3$},
  year     = {2014},
  issn     = {1521-4095},
  number   = {29},
  pages    = {4991--4998},
  volume   = {26},
  doi      = {10.1002/adma.201401137},
  keywords = {perovskite solar cells, formamidinium lead iodide, HC(NH2)2PbI3, HC(NH2)2I, record efficiency},
}

@Article{Lee12p643,
  Title                    = {Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites},
  Author                   = {Lee, Michael M and Teuscher, Jo{\"e}l and Miyasaka, Tsutomu and Murakami, Takurou N and Snaith, Henry J},
  Journal                  = {Science},
  Year                     = {2012},
  Number                   = {6107},
  Pages                    = {643--647},
  Volume                   = {338},

  Publisher                = {American Association for the Advancement of Science}
}

@Article{Leguy15p3397,
  author    = {Aur{\'{e}}lien M. A. Leguy and Yinghong Hu and Mariano Campoy-Quiles and M. Isabel Alonso and Oliver J. Weber and Pooya Azarhoosh and Mark van Schilfgaarde and Mark T. Weller and Thomas Bein and Jenny Nelson and Pablo Docampo and Piers R. F. Barnes},
  journal   = {Chem. Mater.},
  title     = {Reversible Hydration of CH$_{3}$NH$_{3}$PbI$_{3}$ in Films, Single Crystals, and Solar Cells},
  year      = {2015},
  month     = {may},
  number    = {9},
  pages     = {3397--3407},
  volume    = {27},
  doi       = {10.1021/acs.chemmater.5b00660},
  publisher = {American Chemical Society ({ACS})},
}

@Article{Leguy15p7124,
  author    = {Leguy, Aurelien MA and Frost, Jarvist Moore and McMahon, Andrew P and Sakai, Victoria Garcia and Kochelmann, W and Law, ChunHung and Li, Xiaoe and Foglia, Fabrizia and Walsh, Aron and Regan, Brian C and others},
  journal   = {Nat. Commun.},
  title     = {The Dynamics of Methylammonium Ions in Hybrid Organic-Inorganic Perovskite Solar Cells},
  year      = {2015},
  pages     = {7124},
  volume    = {6},
  publisher = {Nature Publishing Group},
}

@Article{Leijtens13p2885,
  author    = {T. Leijtens and G. E. Eperon and S. Pathak and A. Abate and M. M. Lee and H. J. Snaith},
  journal   = {Nat. Commun.},
  title     = {Overcoming Ultraviolet Light Instability of Sensitized TiO$_{2}$ with Meso-Superstructured Organometal Tri-Halide Perovskite Solar Cells},
  year      = {2013},
  pages     = {2885},
  volume    = {4},
  abstract  = {The power conversion efficiency of hybrid solid-state solar
 cells has more than doubled from 7 to 15% over the past year. This
 is largely as a result of the incorporation of organometallic
 trihalide perovskite absorbers into these devices. But, as
 promising as this development is, long-term operational stability
 is just as important as initial conversion efficiency when it
 comes to the development of practical solid-state solar cells.
 Here we identify a critical instability in mesoporous
 TiO2-sensitized solar cells arising from light-induced desorption
 of surface-adsorbed oxygen. We show that this instability does not
 arise in mesoporous TiO2-free mesosuperstructured solar cells.
 Moreover, our TiO2-free cells deliver stable photocurrent for over
 1,000?h continuous exposure and operation under full
 spectrum simulated sunlight.},
  entrydate = {2015/05/22},
}

@Article{Li14p13587,
  author    = {Li, Wenzhe and Dong, Haopeng and Wang, Liduo and Li, Nan and Guo, Xudong and Li, Jiangwei and Qiu, Yong},
  journal   = {J. Mater. Chem. A},
  title     = {Montmorillonite As Bifunctional Buffer Layer Material for Hybrid Perovskite Solar Cells with Protection from Corrosion and Retarding Recombination},
  year      = {2014},
  pages     = {13587-13592},
  volume    = {2},
  abstract  = {4-tert-Butylpyridine (TBP) has been an important component in hole transport layer for hybrid perovskite solar cells. However{,} our study shows that TBP can corrode the perovskite absorption layer (CH3NH3PbI3) and interfere with the stability of the solar cells. To address this problem{,} montmorillonite (MMT) was used to form a buffer layer on top of the hole transport layer. XRD results revealed that TBP was intercalated in the MMT structure and UV-vis spectroscopy analysis revealed that this structure could prevent the corrosion of the CH3NH3PbI3 layer. Moreover{,} the MMT buffer layer could limit charge recombination in the solar cells. A delayed corrosion led to an increased current density owing to enhanced absorption{,} while a reduced charge recombination led to an increased fill factor and open voltage circuit values. Consequently{,} the corresponding efficiency largely increased from 9.0% to 11.9%{,} with an improvement of 32.2%. Therefore{,} the application of MMT as a bifunctional buffer coating layer on the hole transport layer is a useful strategy for preparing highly efficient hybrid perovskite solar cells with anti-corrosion and delayed charge recombination properties.},
  doi       = {10.1039/C4TA01550A},
  issue     = {33},
  publisher = {The Royal Society of Chemistry},
}

@Article{Liu15p9066,
  Title                    = {Hysteretic Behavior upon Light Soaking in Perovskite Solar Cells Prepared Via Modified Vapor-Assisted Solution Process},
  Author                   = {Liu, Chong and Fan, Jiandong and Zhang, Xing and Shen, Yanjiao and Yang, Lin and Mai, Yaohua},
  Journal                  = {ACS applied materials \& interfaces},
  Year                     = {2015},
  Pages                    = {9066--9071},
  Volume                   = {7},

  Publisher                = {ACS Publications}
}

@Article{Ma15p248,
  author  = {Ma, Jie and Wang, Lin-Wang},
  journal = {Nano Lett.},
  title   = {Nanoscale Charge Localization Induced by Random Orientations of Organic Molecules in Hybrid Perovskite CH$_3$NH$_3$PbI$_3$},
  year    = {2015},
  pages   = {248-253},
  volume  = {15},
}

@Article{Mettan15p,
  author    = {Xavier Mettan and Riccardo Pisoni and P{\'{e}}ter Matus and Andrea Pisoni and Ja{\'{c}}im Ja{\'{c}}imovi{\'{c}} and B{\'{a}}lint N{\'{a}}fr{\'{a}}di and Massimo Spina and Davor Pavuna and L{\'{a}}szl{\'{o}} Forr{\'{o}} and Endre Horv{\'{a}}th},
  journal   = {J. Phys. Chem. C},
  title     = {Tuning of the Thermoelectric Figure of Merit of CH$_{3}$NH$_{3}$MI$_{3}$ (M=Pb, Sn) Photovoltaic Perovskites},
  year      = {2015},
  month     = {may},
  number    = {21},
  pages     = {11506-11510},
  volume    = {119},
  doi       = {10.1021/acs.jpcc.5b03939},
  publisher = {American Chemical Society ({ACS})},
}

@Article{Mosconi14p16137,
  author    = {Mosconi, Edoardo and Quarti, Claudio and Ivanovska, Tanja and Ruani, Giampiero and De Angelis, Filippo},
  journal   = {Phys. Chem. Chem. Phys.},
  title     = {Structural and Electronic Properties of Organo-Halide Lead Perovskites: A Combined IR-Spectroscopy and Ab Initio Molecular Dynamics Investigation},
  year      = {2014},
  number    = {30},
  pages     = {16137--16144},
  volume    = {16},
  publisher = {Royal Society of Chemistry},
}

@Article{Mosconi15p1,
  author  = {Mosconi, Edoardo and Azpiroz, Jon M. and De Angelis, Filippo},
  journal = {Chem. Mater.},
  title   = {\emph{Ab Initio} Molecular Dynamics Simulations of Methylammonium Lead Iodide Perovskite Degradation by Water},
  year    = {2015},
  number  = {0},
  pages   = {ASAP},
  volume  = {0},
}

@Article{Mosconi15p9208,
  author    = {Mosconi, Edoardo and Umari, Paolo and De Angelis, Filippo},
  journal   = {J. Mater. Chem. A},
  title     = {Electronic and Optical Properties of Mixed Sn-Pb Organohalide Perovskites: A First Principles Investigation},
  year      = {2015},
  pages     = {9208-9215},
  volume    = {3},
  doi       = {10.1039/C4TA06230B},
  issue     = {17},
  publisher = {The Royal Society of Chemistry},
}

@Article{Mostafa77p183,
  author  = {M.F. Mostafa and M.A. Semary and M.A. Ahmed},
  journal = {Phys. Lett. A},
  title   = {Field Dependence of the Susceptibility Maximum for Two-Dimensional Antiferromagnet},
  year    = {1977},
  issn    = {0375-9601},
  number  = {3},
  pages   = {183 - 184},
  volume  = {61},
  doi     = {10.1016/0375-9601(77)90287-0},
  url     = {http://www.sciencedirect.com/science/article/pii/0375960177902870},
}

@Article{Mostafa71p2213,
  author    = {Mostafa, Mohgah F. and Willett, Roger D.},
  journal   = {Phys. Rev. B},
  title     = {Magnetic Properties of Ferrous Chloride Complexes with Two-Dimensional Structures},
  year      = {1971},
  month     = {Oct},
  pages     = {2213--2215},
  volume    = {4},
  doi       = {10.1103/PhysRevB.4.2213},
  issue     = {7},
  numpages  = {0},
  publisher = {American Physical Society},
}

@Article{Muthu14p55908,
  author    = {Muthu, Chinnadurai and Nagamma, Sunena R. and Nair, Vijayakumar C.},
  journal   = {RSC Adv.},
  title     = {Luminescent Hybrid Perovskite Nanoparticles As a New Platform for Selective Detection of 2{,}4{,}6-Trinitrophenol},
  year      = {2014},
  pages     = {55908-55911},
  volume    = {4},
  abstract  = {Luminescent organic-inorganic perovskite (CH3NH3PbBr3) nanoparticles are used for the detection of 2{,}4{,}6-trinitrophenol (TNP{,} picric acid) in the solution and vapour state. Unlike most fluorescence based sensors{,} hybrid perovskite nanoparticles showed high selectivity and good sensitivity towards TNP{,} particularly in the solution state. Hydrogen bonding ability and electron accepting strength of TNP were found to play key roles in the detection mechanism.},
  doi       = {10.1039/C4RA07884E},
  issue     = {99},
  publisher = {The Royal Society of Chemistry},
}

@Article{Nagaoka15p669,
  author    = {Nagaoka, Hirokazu and Ma, Fei and deQuilettes, Dane W and Vorpahl, Sarah M and Glaz, Micah S and Colbert, Adam E and Ziffer, Mark E and Ginger, David S},
  journal   = {J. Phys. Chem. Lett.},
  title     = {Zr Incorporation into TiO$_2$ Electrodes Reduces Hysteresis and Improves Performance in Hybrid Perovskite Solar Cells While Increasing Carrier Lifetimes},
  year      = {2015},
  number    = {4},
  pages     = {669--675},
  volume    = {6},
  publisher = {ACS Publications},
}

@Article{Nie15p522,
  Title                    = {High-Efficiency Solution-Processed Perovskite Solar Cells with Millimeter-Scale Grains},
  Author                   = {Nie, Wanyi and Tsai, Hsinhan and Asadpour, Reza and Blancon, Jean-Christophe and Neukirch, Amanda J and Gupta, Gautam and Crochet, Jared J and Chhowalla, Manish and Tretiak, Sergei and Alam, Muhammad A and others},
  Journal                  = {Science},
  Year                     = {2015},
  Number                   = {6221},
  Pages                    = {522--525},
  Volume                   = {347},

  Publisher                = {American Association for the Advancement of Science}
}

@Article{Niu15p8970,
  author    = {Guangda Niu and Xudong Guo and Liduo Wang},
  journal   = {J. Mater. Chem. A},
  title     = {Review of Recent Progress in Chemical Stability of Perovskite Solar Cells},
  year      = {2015},
  number    = {17},
  pages     = {8970--8980},
  volume    = {3},
  doi       = {10.1039/c4ta04994b},
  publisher = {Royal Society of Chemistry ({RSC})},
}

@Article{Niu14p705,
  author    = {Niu, Guangda and Li, Wenzhe and Meng, Fanqi and Wang, Liduo and Dong, Haopeng and Qiu, Yong},
  journal   = {J. Mater. Chem.A},
  title     = {Study on the Stability of CH$_{3}$NH$_{3}$PbI$_{3}$ Films and the Effect of Post-Modification by Aluminum Oxide in All-Solid-State Hybrid Solar Cells},
  year      = {2014},
  number    = {3},
  pages     = {705--710},
  volume    = {2},
  doi       = {10.1039/c3ta13606j},
  sn        = {2050-7488; 2050-7496},
  tc        = {1},
  timestamp = {2014.07.11},
  ut        = {WOS:000328644700021},
  z8        = {0},
  z9        = {1},
  zb        = {0},
  zs        = {0},
}

@Article{Noel14p3061,
  author    = {Noel, Nakita K. and Stranks, Samuel D. and Abate, Antonio and Wehrenfennig, Christian and Guarnera, Simone and Haghighirad, Amir-Abbas and Sadhanala, Aditya and Eperon, Giles E. and Pathak, Sandeep K. and Johnston, Michael B. and Petrozza, Annamaria and Herz, Laura M. and Snaith, Henry J.},
  journal   = {Energy Environ. Sci.},
  title     = {Lead-Free Organic-Inorganic Tin Halide Perovskites for Photovoltaic Applications},
  year      = {2014},
  pages     = {3061-3068},
  volume    = {7},
  doi       = {10.1039/C4EE01076K},
  issue     = {9},
  publisher = {The Royal Society of Chemistry},
}

@Article{ORegan15p5087,
  author     = {O'Regan, Brian C. and Barnes, Piers R. F. and Li, Xiaoe and Law, Chunhung and Palomares, Emilio and Marin-Beloqui, Jose M.},
  journal    = {J. Am. Chem. Soc.},
  title      = {Optoelectronic {Studies} of {Methylammonium} {Lead} {Iodide} {Perovskite} {Solar} {Cells} with {Mesoporous} {TiO}$_2$: {Separation} of {Electronic} and {Chemical} {Charge} {Storage}, {Understanding} {Two} {Recombination} {Lifetimes}, and the {Evolution} of {Band} {Offsets} During {J}-{V} {Hysteresis}},
  year       = {2015},
  issn       = {0002-7863},
  month      = apr,
  number     = {15},
  pages      = {5087--5099},
  volume     = {137},
  abstract   = {Methylammonium lead iodide (MAPI) cells of the design FTO/sTiO2/mpTiO2/MAPI/Spiro-OMeTAD/Au, where FTO is fluorine-doped tin oxide, sTiO2 indicates solid-TiO2, and mpTiO2 is mesoporous TiO2, are studied using transient photovoltage (TPV), differential capacitance, charge extraction, current interrupt, and chronophotoamperometry. We show that in mpTiO2/MAPI cells there are two kinds of extractable charge stored under operation: a capacitive electronic charge (?0.2 ?C/cm2) and another, larger charge (40 ?C/cm2), possibly related to mobile ions. Transient photovoltage decays are strongly double exponential with two time constants that differ by a factor of ?5, independent of bias light intensity. The fast decay (?1 ?s at 1 sun) is assigned to the predominant charge recombination pathway in the cell. We examine and reject the possibility that the fast decay is due to ferroelectric relaxation or to the bulk photovoltaic effect. Like many MAPI solar cells, the studied cells show significant J?V hysteresis. Capacitance vs open circuit voltage (Voc) data indicate that the hysteresis involves a change in internal potential gradients, likely a shift in band offset at the TiO2/MAPI interface. The TPV results show that the Voc hysteresis is not due to a change in recombination rate constant. Calculation of recombination flux at Voc suggests that the hysteresis is also not due to an increase in charge separation efficiency and that charge generation is not a function of applied bias. We also show that the J?V hysteresis is not a light driven effect but is caused by exposure to electrical bias, light or dark.},
  doi        = {10.1021/jacs.5b00761},
  file       = {ACS Full Text PDF w/ Links:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/K6RFZAFH/O???Regan et al. - 2015 - Optoelectronic Studies of Methylammonium Lead Iodi.pdf:application/pdf;ACS Full Text Snapshot:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/FSGMI7PU/jacs.html:text/html},
  shorttitle = {Optoelectronic {Studies} of {Methylammonium} {Lead} {Iodide} {Perovskite} {Solar} {Cells} with {Mesoporous} {TiO}2},
  urldate    = {2015-05-20},
}

@Article{Ogomi14p1004,
  author    = {Ogomi, Yuhei and Morita, Atsushi and Tsukamoto, Syota and Saitho, Takahiro and Fujikawa, Naotaka and Shen, Qing and Toyoda, Taro and Yoshino, Kenji and Pandey, Shyam S. and Ma, Tingli and Hayase, Shuzi},
  journal   = {J. Phys. Chem. Lett.},
  title     = {CH$_3$NH$_3$Sn$_x$Pb$_{(1-X)}$I$_3$ Perovskite Solar Cells Covering up to 1060 nm},
  year      = {2014},
  number    = {6},
  pages     = {1004--1011},
  volume    = {5},
  doi       = {10.1021/jz5002117},
  sn        = {1948-7185},
  tc        = {1},
  timestamp = {2014.07.11},
  ut        = {WOS:000333381400013},
  z8        = {0},
  z9        = {1},
  zb        = {0},
  zs        = {0},
}

@Article{Pellet14p3151,
  author    = {Pellet, Norman and Gao, Peng and Gregori, Giuliano and Yang, Tae-Youl and Nazeeruddin, Mohammad K. and Maier, Joachim and Gr{\"a}tzel, Michael},
  journal   = {Angew. Chem. Int. Ed.},
  title     = {Mixed-Organic-Cation Perovskite Photovoltaics for Enhanced Solar-Light Harvesting},
  year      = {2014},
  issn      = {1521-3773},
  number    = {12},
  pages     = {3151--3157},
  volume    = {53},
  doi       = {10.1002/anie.201309361},
  keywords  = {energy conversion, light harvesting, organic cations, perovskite solar cells, photovoltaics},
  publisher = {WILEY-VCH Verlag},
}

@Article{Pisoni14p2488,
  author    = {Andrea Pisoni and Ja{\'{c}}im Ja{\'{c}}imovi{\'{c}} and Osor S. Bari{\v{s}}i{\'{c}} and Massimo Spina and Richard Ga{\'{a}}l and L{\'{a}}szl{\'{o}} Forr{\'{o}} and Endre Horv{\'{a}}th},
  journal   = {J. Phys. Chem. Lett.},
  title     = {Ultra-Low Thermal Conductivity in Organic{\textendash}Inorganic Hybrid Perovskite CH$_{3}$NH$_{3}$PbI$_{3}$},
  year      = {2014},
  month     = {jul},
  number    = {14},
  pages     = {2488--2492},
  volume    = {5},
  doi       = {10.1021/jz5012109},
  publisher = {American Chemical Society ({ACS})},
}

@Article{Poglitsch87p6373,
  author    = {A. Poglitsch and D. Weber},
  journal   = {J. Chem. Phys.},
  title     = {Dynamic Disorder in Methylammoniumtrihalogenoplumbates ({II}) Observed by Millimeter-Wave Spectroscopy},
  year      = {1987},
  number    = {11},
  pages     = {6373-6378},
  volume    = {87},
  doi       = {10.1063/1.453467},
  publisher = {{AIP} Publishing},
}

@Article{Quarti15p9394,
  author   = {Quarti, Claudio and Mosconi, Edoardo and Angelis, Filippo De},
  journal  = {Phys. Chem. Chem. Phys.},
  title    = {Structural and Electronic Properties of Organo-Halide Hybrid Perovskites from Ab Initio Molecular Dynamics},
  year     = {2015},
  issn     = {1463-9084},
  month    = mar,
  number   = {14},
  pages    = {9394--9409},
  volume   = {17},
  abstract = {The last two years have seen the unprecedentedly rapid emergence of a new class of solar cells, based on hybrid organic???inorganic halide perovskites. The success of this class of materials is due to their outstanding photoelectrochemical properties coupled to their low cost, mainly solution-based, fabrication techniques. Solution processed materials are however often characterized by an inherent flexible structure, which is hardly mapped into a single local minimum energy structure. In this perspective, we report on the interplay between structural and electronic properties of hybrid lead iodide perovskites investigated using ab initio molecular dynamics (AIMD) simulations, which allow the dynamical simulation of disordered systems at finite temperature. We compare the prototypical MAPbI3 (MA = methylammonium) perovskite in its cubic and tetragonal structure with the trigonal phase of FAPbI3 (FA = formamidinium), investigating different starting arrangements of the organic cations. Despite the relatively short time scale amenable to AIMD, typically a few tens of ps, this analysis demonstrates the sizable structural flexibility of this class of materials, showing that the instantaneous structure could significantly differ from the time and thermal averaged structure. We also highlight the importance of the organic???inorganic interactions in determining the fluxional properties of this class of materials. A peculiar spatial localization of the valence and conduction band edges is also found, with a dynamics in the range of 0.1 ps, which is associated with the positional dynamics of the organic cations within the cubo-octahedral perovskite cage. This asymmetry in the spatial localization of the band edges is expected to ease exciton dissociation and assist the initial stages of charge separation, possibly constituting one of the key factors for the impressive photovoltaic performances of hybrid lead-iodide perovskites.},
  doi      = {10.1039/C5CP00599J},
  file     = {Full Text PDF:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/64RBQ45V/Quarti et al. - 2015 - Structural and electronic properties of organo-hal.pdf:application/pdf;Snapshot:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/EXVMIGRV/C5CP00599J.html:text/html},
  keywords = {ABMD, OMHP},
  language = {en},
  url      = {http://pubs.rsc.org/en/content/articlelanding/2015/cp/c5cp00599j},
  urldate  = {2015-04-29},
}

@Article{Sanchez14p2357,
  author    = {Sanchez, Rafael S and Gonzalez-Pedro, Victoria and Lee, Jin-Wook and Park, Nam-Gyu and Kang, Yong Soo and Mora-Sero, Ivan and Bisquert, Juan},
  journal   = {J. Phys. Chem. Lett.},
  title     = {Slow Dynamic Processes in Lead Halide Perovskite Solar Cells. Characteristic Times and Hysteresis},
  year      = {2014},
  number    = {13},
  pages     = {2357--2363},
  volume    = {5},
  publisher = {ACS Publications},
}

@Article{Schmidt14p850,
  author  = {Schmidt, Luciana C. and Perteg{\'a}s, Antonio and Gonz{\'a}lez-Carrero, Soranyel and Malinkiewicz, Olga and Agouram, Said and M{\'{i}}nguez Espallargas, Guillermo and Bolink, Henk J. and Galian, Raquel E. and P{\'e}rez-Prieto, Julia},
  journal = {J. Am. Chem. Soc.},
  title   = {Nontemplate Synthesis of CH$_3$NH$_3$PbBr$_3$ Perovskite Nanoparticles},
  year    = {2014},
  number  = {3},
  pages   = {850-853},
  volume  = {136},
  doi     = {10.1021/ja4109209},
  eprint  = {http://dx.doi.org/10.1021/ja4109209},
}

@Article{Semary78p443,
  author   = {M.A. Semary and M.F. Mostafa and M.A. Ahmed},
  journal  = {Solid State Commun.},
  title    = {Magnetic Susceptibility of (CH$_3$NH$_3$)$_2$FeCl$_3$Br: An Example of a Canted Spin System},
  year     = {1978},
  issn     = {0038-1098},
  number   = {7},
  pages    = {443 - 445},
  volume   = {25},
  abstract = {Magnetic susceptibility of (CH3NH3)2FeCl3Br is measured in the temperature range 80?200?K. A sharp peak characteristic of a spin canted system is found at TN(H=0)=98? K. Magnetic field dependence of the susceptibility and the effect of the halide ion size on the canted spin is discussed.},
  doi      = {10.1016/0038-1098(78)90152-7},
  url      = {http://www.sciencedirect.com/science/article/pii/0038109878901527},
}

@Article{Shao14p5784,
  author    = {Yuchuan Shao and Zhengguo Xiao and Cheng Bi and Yongbo Yuan and Jinsong Huang},
  journal   = {Nat. Comms.},
  title     = {Origin and Elimination of Photocurrent Hysteresis by Fullerene Passivation in {CH}$_3$NH$_3$PbI$_3$ Planar Heterojunction Solar Cells},
  year      = {2014},
  month     = {dec},
  pages     = {5784},
  volume    = {5},
  doi       = {10.1038/ncomms6784},
  publisher = {Nature Publishing Group},
}

@Article{Shao14p6784,
  author    = {Shao, Yuchuan and Xiao, Zhengguo and Bi, Cheng and Yuan, Yongbo and Huang, Jinsong},
  journal   = {Nat. Commun.},
  title     = {Origin and Elimination of Photocurrent Hysteresis by Fullerene Passivation in CH3NH3PbI3 Planar Heterojunction Solar Cells},
  year      = {2014},
  pages     = {6784},
  volume    = {5},
  publisher = {Nature Publishing Group},
}

@Article{Shi15p842,
  author    = {Jiangjian Shi and Huiyun Wei and Songtao Lv and Xin Xu and Huijue Wu and Yanhong Luo and Dongmei Li and Qingbo Meng},
  journal   = {{ChemPhysChem}},
  title     = {Control of Charge Transport in the Perovskite CH$_{3}$NH$_{3}$PbI$_{3}$ Thin Film},
  year      = {2015},
  month     = {jan},
  number    = {4},
  pages     = {842--847},
  volume    = {16},
  doi       = {10.1002/cphc.201402815},
  publisher = {Wiley-Blackwell},
}

@Article{Shi15p103902,
  author   = {Shi, Tingting and Yin, Wan-Jian and Hong, Feng and Zhu, Kai and Yan, Yanfa},
  journal  = {Appl. Phys. Lett.},
  title    = {Unipolar Self-Doping Behavior in Perovskite {CH}$_3$NH$_3$PbBr$_3$},
  year     = {2015},
  issn     = {0003-6951, 1077-3118},
  month    = mar,
  number   = {10},
  pages    = {103902},
  volume   = {106},
  abstract = {Recent theoretical and experimental reports have shown that the perovskite CH3NH3PbI3 exhibits unique ambipolar self-doping properties. Here, we show by density-functional theory calculation that its sister perovskite, CH3NH3PbBr3, exhibits a unipolar self-doping behavior???CH3NH3PbBr3 presents only good p-type conductivity under thermal equilibrium growth conditions. We further show that despite a large bandgap of 2.2 eV, all dominant defects in CH3NH3PbBr3 create shallow levels, which partially explains the ultra-high open-circuit voltages achieved by CH3NH3PbBr3-based thin-film solar cells. Our results suggest that the perovskite CH3NH3PbBr3 can be both an excellent solar cell absorber and a promising low-cost hole-transport material for lead halide perovskite solar cells.},
  doi      = {10.1063/1.4914544},
  file     = {Full Text PDF:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/ZBUMWQBU/Shi et al. - 2015 - Unipolar self-doping behavior in perovskite CH3NH3.pdf:application/pdf;Snapshot:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/XWRCUXPR/1.html:text/html},
  keywords = {Band gap, Dielectric oxides, IV-VI semiconductors, Lead, Solar cells},
  urldate  = {2015-05-19},
}

@Article{Smith14p11414,
  author    = {Smith, Ian C. and Hoke, Eric T. and Solis-Ibarra, Diego and McGehee, Michael D. and Karunadasa, Hemamala I.},
  journal   = {Angew. Chem.},
  title     = {A Layered Hybrid Perovskite Solar-Cell Absorber with Enhanced Moisture Stability},
  year      = {2014},
  issn      = {1521-3757},
  number    = {42},
  pages     = {11414--11417},
  volume    = {126},
  doi       = {10.1002/ange.201406466},
  keywords  = {Materialwissenschaften, Perowskite, Photovoltaik, Schichtverbindungen, Solarzellen},
  publisher = {WILEY-VCH Verlag},
}

@Article{Snaith14p1511,
  author   = {Snaith, Henry J. and Abate, Antonio and Ball, James M. and Eperon, Giles E. and Leijtens, Tomas and Noel, Nakita K. and Stranks, Samuel D. and Wang, Jacob Tse-Wei and Wojciechowski, Konrad and Zhang, Wei},
  journal  = {J. Phys. Chem. Lett.},
  title    = {Anomalous {Hysteresis} in {Perovskite} {Solar} {Cells}},
  year     = {2014},
  issn     = {1948-7185},
  month    = may,
  number   = {9},
  pages    = {1511--1515},
  volume   = {5},
  abstract = {Perovskite solar cells have rapidly risen to the forefront of emerging photovoltaic technologies, exhibiting rapidly rising efficiencies. This is likely to continue to rise, but in the development of these solar cells there are unusual characteristics that have arisen, specifically an anomalous hysteresis in the current?voltage curves. We identify this phenomenon and show some examples of factors that make the hysteresis more or less extreme. We also demonstrate stabilized power output under working conditions and suggest that this is a useful parameter to present, alongside the current-voltage scan derived power conversion efficiency. We hypothesize three possible origins of the effect and discuss its implications on device efficiency and future research directions. Understanding and resolving the hysteresis is essential for further progress and is likely to lead to a further step improvement in performance.},
  doi      = {10.1021/jz500113x},
  file     = {ACS Full Text PDF w/ Links:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/9N8B93SX/Snaith et al. - 2014 - Anomalous Hysteresis in Perovskite Solar Cells.pdf:application/pdf;ACS Full Text Snapshot:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/8Z9PRV8I/jz500113x.html:text/html},
  urldate  = {2015-05-07},
}

@Article{Stoumpos15p1,
  author  = {Stoumpos, Constantinos C. and Fraser, Laszlo and Clark, Daniel J and Kim, Yong Soo and Rhim, Sonny H and Freeman, Arthur J. and Ketterson, John B. and Jang, Joon I. and Kanatzidis, Mercouri G.},
  journal = {J. Am. Chem. Soc.},
  title   = {Hybrid Germanium Iodide Perovskite Semiconductors: Active Lone Pairs, Structural Distortions, Direct and Indirect Energy Gaps and Strong Nonlinear Optical Properties},
  year    = {0},
  number  = {ja},
  pages   = {null},
  volume  = {0},
  doi     = {10.1021/jacs.5b01025},
  eprint  = {http://dx.doi.org/10.1021/jacs.5b01025},
}

@Article{Stoumpos13p9019,
  author    = {Stoumpos, Constantinos C and Malliakas, Christos D and Kanatzidis, Mercouri G},
  journal   = {Inorg. Chem.},
  title     = {Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties},
  year      = {2013},
  number    = {15},
  pages     = {9019--9038},
  volume    = {52},
  publisher = {ACS Publications},
}

@Article{Stroppa14p5900,
  author  = {Stroppa, Alessandro and Di Sante, Domenico and Barone, Paolo and Bokdam, Menno and Kresse, Georg and Franchini, Cesare and Whangbo, Myung-Hwan and Picozzi, Silvia},
  journal = {Nat. Commun.},
  title   = {Tunable Ferroelectric Polarization and Its Interplay with Spin-orbit Coupling in Tin Iodide Perovskites},
  year    = {2014},
  pages   = {5900},
  volume  = {5},
  date    = {2014-12-23},
  doi     = {10.1038/ncomms6900},
}

@Article{Sutherland14p10947,
  author    = {Brandon R. Sutherland and Sjoerd Hoogland and Michael M. Adachi and Chris T. O. Wong and Edward H. Sargent},
  journal   = {{ACS} Nano},
  title     = {Conformal Organohalide Perovskites Enable Lasing on Spherical Resonators},
  year      = {2014},
  month     = {oct},
  number    = {10},
  pages     = {10947--10952},
  volume    = {8},
  doi       = {10.1021/nn504856g},
  publisher = {American Chemical Society ({ACS})},
}

@Article{Swainson03p97,
  author   = {I.P. Swainson and R.P. Hammond and C. Soulli{\`{e}}re and O. Knop and W. Massa},
  journal  = {J. Solid State Chem.},
  title    = {Phase Transitions in the Perovskite Methylammonium Lead Bromide, {CH}$_3$ND$_3$PbBr$_3$},
  year     = {2003},
  issn     = {0022-4596},
  month    = nov,
  number   = {1},
  pages    = {97--104},
  volume   = {176},
  abstract = {The structure of phase IV of methylammonium lead bromide, CH3ND3PbBr3, is shown from Rietveld refinement of neutron powder diffraction data to be centrosymmetric, with space group Pnma: Z=4; a=7.9434(4) ??, b=11.8499(5) ??, c=8.5918(4) ?? at 11 K; Rwp=2.34\% Rp=1.81\%. This corresponds to one of the pure tilt transitions, a???b+a???, commonly observed in perovskites. Additional distortions not required by pure tilting are found in the PbBr6 octahedra, and it appears that the structure optimizes the hydrogen bonding between the methylammonium cation and the framework. It is likely that the lowest temperature phase of the corresponding iodide also has this structure. The structure is compared to the available data for that of other Pnma perovskites. A brief comparison to the higher temperature phases in which the methylammonium ion is disordered is given.},
  doi      = {10.1016/S0022-4596(03)00352-9},
  file     = {ScienceDirect Full Text PDF:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/3WD6RC5K/Swainson et al. - 2003 - Phase transitions in the perovskite methylammonium.pdf:application/pdf;ScienceDirect Snapshot:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/P86Q9X5N/S0022459603003529.html:text/html},
  keywords = {Hydrogen-bonding, Methylammonium lead halides, Neutron powder diffraction, Order???disorder, Perovskites, Rietveld refinement},
  url      = {http://www.sciencedirect.com/science/article/pii/S0022459603003529},
  urldate  = {2015-05-20},
}

@Article{Takahashi13p39,
  author    = {Yukari Takahashi and Hiroyuki Hasegawa and Yukihiro Takahashi and Tamotsu Inabe},
  journal   = {J. Solid State Chem.},
  title     = {Hall Mobility in Tin Iodide Perovskite CH$_{3}$NH$_{3}$SnI$_{3}$: Evidence for a Doped Semiconductor},
  year      = {2013},
  pages     = {39--43},
  volume    = {205},
  doi       = {10.1016/j.jssc.2013.07.008},
  publisher = {Elsevier {BV}},
}

@Article{Takahashi11p5563,
  author    = {Takahashi, Yukari and Obara, Rena and Lin, Zheng-Zhong and Takahashi, Yukihiro and Naito, Toshio and Inabe, Tamotsu and Ishibashi, Shoji and Terakura, Kiyoyuki},
  journal   = {Dalton Trans.},
  title     = {Charge-Transport in Tin-Iodide Perovskite CH$_{3}$NH$_{3}$SnI$_{3}$: Origin of High Conductivity},
  year      = {2011},
  number    = {20},
  pages     = {5563--5568},
  volume    = {40},
  doi       = {10.1039/c0dt01601b},
  ri        = {Inabe, Tamotsu/A-8846-2012},
  sn        = {1477-9226},
  tc        = {11},
  timestamp = {2014.07.11},
  ut        = {WOS:000290161900020},
  z8        = {0},
  z9        = {11},
  zb        = {1},
  zs        = {0},
}

@Article{Tan14p687,
  author    = {Zhi-Kuang Tan and Reza Saberi Moghaddam and May Ling Lai and Pablo Docampo and Ruben Higler and Felix Deschler and Michael Price and Aditya Sadhanala and Luis M. Pazos and Dan Credgington and Fabian Hanusch and Thomas Bein and Henry J. Snaith and Richard H. Friend},
  journal   = {Nat. Nanotechnol.},
  title     = {Bright Light-Emitting Diodes Based on Organometal Halide Perovskite},
  year      = {2014},
  number    = {9},
  pages     = {687--692},
  volume    = {9},
  doi       = {10.1038/nnano.2014.149},
  publisher = {Nature Publishing Group},
}

@Article{Tidhar14p13249,
  author  = {Tidhar, Yaron and Edri, Eran and Weissman, Haim and Zohar, Dorin and Hodes, Gary and Cahen, David and Rybtchinski, Boris and Kirmayer, Saar},
  journal = {J. Am. Chem. Soc.},
  title   = {Crystallization of Methyl Ammonium Lead Halide Perovskites: Implications for Photovoltaic Applications},
  year    = {2014},
  number  = {38},
  pages   = {13249-13256},
  volume  = {136},
  doi     = {10.1021/ja505556s},
  eprint  = {http://dx.doi.org/10.1021/ja505556s},
}

@Article{Tress15p995,
  Title                    = {Understanding the Rate-Dependent \emph{J}--\emph{V} Hysteresis, Slow Time Component, and Aging in CH$_{3}$NH$_{3}$PbI$_{3}$ Perovskite Solar Cells: The Role of a Compensated Electric Field},
  Author                   = {Tress, W and Marinova, N and Moehl, T and Zakeeruddin, SM and Nazeeruddin, Mohammad Khaja and Gr{\"a}tzel, M},
  Journal                  = {Energy \& Environmental Science},
  Year                     = {2015},
  Pages                    = {995--1004},
  Volume                   = {8},

  Publisher                = {Royal Society of Chemistry}
}

@Article{Tyagi15p1911,
  author  = {Tyagi, Pooja and Arveson, Sarah M. and Tisdale, William A.},
  journal = {J. Phys. Chem. Lett.},
  title   = {Colloidal Organohalide Perovskite Nanoplatelets Exhibiting Quantum Confinement},
  year    = {2015},
  number  = {10},
  pages   = {1911-1916},
  volume  = {6},
  doi     = {10.1021/acs.jpclett.5b00664},
  eprint  = {http://dx.doi.org/10.1021/acs.jpclett.5b00664},
}

@Article{Umari14p4467,
  author    = {Umari, Paolo and Mosconi, Edoardo and De Angelis, Filippo},
  journal   = {Sci. Rep.},
  title     = {Relativistic GW Calculations on {CH$_3$NH$_3$PbI$_3$} and {CH$_3$NH$_3$SnI$_3$} Perovskites for Solar Cell Applications},
  year      = {2014},
  pages     = {4467},
  volume    = {4},
  publisher = {Nature Publishing Group},
}

@Article{Unger14p3690,
  author    = {E. L. Unger and E. T. Hoke and C. D. Bailie and W. H. Nguyen and A. R. Bowring and T. Heum\"{u}ller and M. G. Christoforo and M. D. McGehee},
  journal   = {Energy Environ. Sci.},
  title     = {Hysteresis and Transient Behavior in Current{\textendash}voltage Measurements of Hybrid-Perovskite Absorber Solar Cells},
  year      = {2014},
  number    = {11},
  pages     = {3690--3698},
  volume    = {7},
  doi       = {10.1039/c4ee02465f},
  publisher = {Royal Society of Chemistry ({RSC})},
}

@Article{Walsh15p1811,
  author    = {Walsh, Aron and Scanlon, David O. and Chen, Shiyou and Gong, X. G. and Wei, Su-Huai},
  journal   = {Angew. Chem.},
  title     = {Self-{Regulation} {Mechanism} for {Charged} {Point} {Defects} in {Hybrid} {Halide} {Perovskites}},
  year      = {2015},
  issn      = {1521-3757},
  month     = feb,
  number    = {6},
  pages     = {1811--1814},
  volume    = {127},
  abstract  = {Hybrid halide perovskites such as methylammonium lead iodide (CH3NH3PbI3) exhibit unusually low free-carrier concentrations despite being processed at low-temperatures from solution. We demonstrate, through quantum mechanical calculations, that an origin of this phenomenon is a prevalence of ionic over electronic disorder in stoichiometric materials. Schottky defect formation provides a mechanism to self-regulate the concentration of charge carriers through ionic compensation of charged point defects. The equilibrium charged vacancy concentration is predicted to exceed 0.4???\% at room temperature. This behavior, which goes against established defect conventions for inorganic semiconductors, has implications for photovoltaic performance.},
  copyright = {? 2015 The Authors. Published by Wiley-VCH Verlag GmbH \& Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.},
  doi       = {10.1002/ange.201409740},
  file      = {Full Text PDF:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/BNZCQ6X3/Walsh et al. - 2015 - Self-Regulation Mechanism for Charged Point Defect.pdf:application/pdf;Snapshot:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/SABX6HRW/full.html:text/html},
  keywords  = {Hybridperowskite, Ionenkompensation, Schottky-Fehlstellen},
  language  = {en},
  urldate   = {2015-05-19},
}

@Article{Wang15p1136,
  author    = {Yun Wang and Bobby G. Sumpter and Jingsong Huang and Haimin Zhang and Porun Liu and Huagui Yang and Huijun Zhao},
  journal   = {J. Phys. Chem. C},
  title     = {Density Functional Studies of Stoichiometric Surfaces of Orthorhombic Hybrid Perovskite CH$_{3}$NH$_{3}$PbI$_{3}$},
  year      = {2015},
  month     = {jan},
  number    = {2},
  pages     = {1136--1145},
  volume    = {119},
  doi       = {10.1021/jp511123s},
  publisher = {American Chemical Society ({ACS})},
}

@Article{Wasylishen85p581,
  author    = {Wasylishen, RE and Knop, Osvald and Macdonald, JB},
  journal   = {Solid State Commun.},
  title     = {Cation Rotation in Methylammonium Lead Halides},
  year      = {1985},
  number    = {7},
  pages     = {581--582},
  volume    = {56},
  publisher = {Elsevier},
}

@Article{Wei14p3937,
  author    = {Jing Wei and Yicheng Zhao and Heng Li and Guobao Li and Jinlong Pan and Dongsheng Xu and Qing Zhao and Dapeng Yu},
  journal   = {J. Phys. Chem. Lett.},
  title     = {Hysteresis Analysis Based on the Ferroelectric Effect in Hybrid Perovskite Solar Cells},
  year      = {2014},
  month     = {nov},
  number    = {21},
  pages     = {3937--3945},
  volume    = {5},
  doi       = {10.1021/jz502111u},
  publisher = {American Chemical Society ({ACS})},
}

@Article{Weller15p4180,
  author   = {Weller, Mark T. and Weber, Oliver J. and Henry, Paul F. and Di Pumpo, Antonietta M. and Hansen, Thomas C.},
  journal  = {Chem. Commun.},
  title    = {Complete Structure and Cation Orientation in the Perovskite Photovoltaic Methylammonium Lead Iodide Between 100 and 352 {K}},
  year     = {2015},
  issn     = {1359-7345, 1364-548X},
  number   = {20},
  pages    = {4180--4183},
  volume   = {51},
  doi      = {10.1039/C4CC09944C},
  language = {en},
  url      = {http://xlink.rsc.org/?DOI=C4CC09944C},
  urldate  = {2015-05-17},
}

@Article{Wojciechowski14p12701,
  author    = {Wojciechowski, Konrad and Stranks, Samuel D and Abate, Antonio and Sadoughi, Golnaz and Sadhanala, Aditya and Kopidakis, Nikos and Rumbles, Garry and Li, Chang-Zhi and Friend, Richard H and Jen, Alex K-Y and others},
  title     = {Heterojunction Modification for Highly Efficient Organic--Inorganic Perovskite Solar Cells},
  journal   = {ACS Nano},
  year      = {2014},
  volume    = {8},
  number    = {12},
  pages     = {12701--12709},
  publisher = {ACS Publications},
}

@Article{Wu15p2089,
  author    = {Wu, Xiaoxi and Trinh, M Tuan and Niesner, Daniel and Zhu, Haiming and Norman, Zachariah and Owen, Jonathan S and Yaffe, Omer and Kudisch, Bryan J and Zhu, Xiaoyang},
  journal   = {J. Am. Chem. Soc.},
  title     = {Trap States in Lead Iodide Perovskites},
  year      = {2015},
  pages     = {2089--2096},
  publisher = {ACS Publications},
}

@Article{Wu15p1253,
  author    = {Wu, Xiaojing and Yu, Hui and Li, Linkai and Wang, Feng and Xu, Haihua and Zhao, Ni},
  journal   = {J. Phys. Chem. C},
  title     = {Composition-Dependent Light-Induced Dipole Moment Change in Organometal Halide Perovskites},
  year      = {2015},
  number    = {2},
  pages     = {1253--1259},
  volume    = {119},
  publisher = {ACS Publications},
}

@Article{Xiao15p193,
  author    = {Xiao, Zhengguo and Yuan, Yongbo and Shao, Yuchuan and Wang, Qi and Dong, Qingfeng and Bi, Cheng and Sharma, Pankaj and Gruverman, Alexei and Huang, Jinsong},
  journal   = {Nat. Mater.},
  title     = {Giant Switchable Photovoltaic Effect in Organometal Trihalide Perovskite Devices},
  year      = {2015},
  issn      = {1476-1122},
  month     = feb,
  number    = {2},
  pages     = {193--198},
  volume    = {14},
  abstract  = {Organolead trihalide perovskite (OTP) materials are emerging as naturally abundant materials for low-cost, solution-processed and highly efficient solar cells. Here, we show that, in OTP-based photovoltaic devices with vertical and lateral cell configurations, the photocurrent direction can be switched repeatedly by applying a small electric field of {\textless}1 V ??m???1. The switchable photocurrent, generally observed in devices based on ferroelectric materials, reached 20.1 mA cm???2 under one sun illumination in OTP devices with a vertical architecture, which is four orders of magnitude larger than that measured in other ferroelectric photovoltaic devices. This field-switchable photovoltaic effect can be explained by the formation of reversible p???i???n structures induced by ion drift in the perovskite layer. The demonstration of switchable OTP photovoltaics and electric-field-manipulated doping paves the way for innovative solar cell designs and for the exploitation of OTP materials in electrically and optically readable memristors and circuits.},
  copyright = {? 2014 Nature Publishing Group},
  doi       = {10.1038/nmat4150},
  file      = {Full Text PDF:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/8Z2NTGQK/Xiao et al. - 2015 - Giant switchable photovoltaic effect in organometa.pdf:application/pdf;Snapshot:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/K8IV7638/nmat4150.html:text/html},
  keywords  = {ion diffusion},
  language  = {en},
  url       = {http://www.nature.com/nmat/journal/v14/n2/abs/nmat4150.html},
  urldate   = {2015-05-07},
}

@Article{Xing14p476,
  author    = {Guichuan Xing and Nripan Mathews and Swee Sien Lim and Natalia Yantara and Xinfeng Liu and Dharani Sabba and Michael Gr\"{a}tzel and Subodh Mhaisalkar and Tze Chien Sum},
  journal   = {Nat. Mater.},
  title     = {Low-Temperature Solution-Processed Wavelength-Tunable Perovskites for Lasing},
  year      = {2014},
  month     = {mar},
  number    = {5},
  pages     = {476--480},
  volume    = {13},
  doi       = {10.1038/nmat3911},
  publisher = {Nature Publishing Group},
}

@Article{Xu15p8081,
  author    = {Xu, Jixian and Buin, Andrei and Ip, Alexander H and Li, Wei and Voznyy, Oleksandr and Comin, Riccardo and Yuan, Mingjian and Jeon, Seokmin and Ning, Zhijun and McDowell, Jeffrey J and others},
  journal   = {Nat. Commun.},
  title     = {Perovskite-Fullerene Hybrid Materials Suppress Hysteresis in Planar Diodes},
  year      = {2015},
  pages     = {8081},
  volume    = {6},
  publisher = {Nature Publishing Group},
}

@Article{Yang15p1955,
  author    = {Jinli Yang and Braden D. Siempelkamp and Dianyi Liu and Timothy L. Kelly},
  journal   = {{ACS} Nano},
  title     = {Investigation of CH$_{3}$NH$_{3}$PbI$_{3}$ Degradation Rates and Mechanisms in Controlled Humidity Environments Using \emph{in Situ} Techniques},
  year      = {2015},
  month     = {feb},
  number    = {2},
  pages     = {1955--1963},
  volume    = {9},
  doi       = {10.1021/nn506864k},
  publisher = {American Chemical Society ({ACS})},
}

@Article{Yang15p7905,
  author    = {Tae-Youl Yang and Giuliano Gregori and Norman Pellet and Michael Gr\"{a}tzel and Joachim Maier},
  journal   = {Angew. Chem. Int. Ed.},
  title     = {The Significance of Ion Conduction in a Hybrid Organic-Inorganic Lead-Iodide-Based Perovskite Photosensitizer},
  year      = {2015},
  number    = {27},
  pages     = {7905--7910},
  volume    = {54},
  doi       = {10.1002/anie.201500014},
  publisher = {Wiley-Blackwell},
}

@Article{Yin15p5253,
  author     = {Yin, Wan-Jian and Shi, Tingting and Yan, Yanfa},
  journal    = {J. Phys. Chem. C},
  title      = {Superior {Photovoltaic} {Properties} of {Lead} {Halide} {Perovskites}: {Insights} from {First}-{Principles} {Theory}},
  year       = {2015},
  issn       = {1932-7447},
  month      = mar,
  number     = {10},
  pages      = {5253--5264},
  volume     = {119},
  abstract   = {Organic?inorganic methylammonium lead halide perovskites have recently emerged as promising solar photovoltaic absorbers. In this Feature Article, we review our theoretical understanding of the superior photovoltaic properties, such as the extremely high optical absorption coefficient and very long carrier diffusion length of CH3NH3PbI3 perovskites through first-principles theory. We elucidate that the superior photovoltaic properties are attributed to the combination of direct band gap p?p transitions enabled by the Pb lone-pair s orbitals and perovskite symmetry, high iconicity, large lattice constant, and strong antibonding coupling between Pb lone-pair s and I p orbitals. We show that CH3NH3PbI3 exhibits intrinsic ambipolar self-doping behavior with conductivities tunable from p-type to n-type via controlling the growth conditions. We show that the p-type conductivity can be further improved by incorporating some group IA, IB, or VIA elements at I-rich/Pb-poor growth conditions. However, the n-type conductivity cannot be improved under thermal equilibrium growth conditions through extrinsic doping due to the compensation from intrinsic point defects.},
  doi        = {10.1021/jp512077m},
  file       = {ACS Full Text PDF w/ Links:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/AHN78N6G/Yin et al. - 2015 - Superior Photovoltaic Properties of Lead Halide Pe.pdf:application/pdf;ACS Full Text Snapshot:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/EJGMEU3V/jp512077m.html:text/html},
  shorttitle = {Superior {Photovoltaic} {Properties} of {Lead} {Halide} {Perovskites}},
  urldate    = {2015-05-19},
}

@Article{Yin14p4653,
  author   = {Yin, Wan-Jian and Shi, Tingting and Yan, Yanfa},
  journal  = {Adv. Mater.},
  title    = {Unique {Properties} of {Halide} {Perovskites} As {Possible} {Origins} of the {Superior} {Solar} {Cell} {Performance}},
  year     = {2014},
  issn     = {1521-4095},
  month    = jul,
  number   = {27},
  pages    = {4653--4658},
  volume   = {26},
  doi      = {10.1002/adma.201306281},
  file     = {Full Text PDF:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/54F5D4UN/Yin et al. - 2014 - Unique Properties of Halide Perovskites as Possibl.pdf:application/pdf;Snapshot:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/TTN4J2AD/abstract.html:text/html},
  keywords = {CH3NH3PbI3, defects, grain boundaries, perovskite solar cell, photovoltaic},
  language = {en},
  urldate  = {2015-05-19},
}

@Article{Yin14p63903,
  author   = {Yin, Wan-Jian and Shi, Tingting and Yan, Yanfa},
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  title    = {Unusual Defect Physics in {CH}$_3$NH$_3$PbI$_3$ Perovskite Solar Cell Absorber},
  year     = {2014},
  issn     = {0003-6951, 1077-3118},
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  pages    = {063903},
  volume   = {104},
  abstract = {Thin-film solar cells based on Methylammonium triiodideplumbate (CH3NH3PbI3) halide perovskites have recently shown remarkable performance. First-principle calculations show that CH3NH3PbI3 has unusual defect physics: (i) Different from common p-type thin-film solar cell absorbers, it exhibits flexible conductivity from good p-type, intrinsic to good n-type depending on the growth conditions; (ii) Dominant intrinsic defects create only shallow levels, which partially explain the long electron-hole diffusion length and high open-circuit voltage in solar cell. The unusual defect properties can be attributed to the strong Pb lone-pair s orbital and I p orbital antibonding coupling and the high ionicity of CH3NH3PbI3.},
  doi      = {10.1063/1.4864778},
  file     = {Full Text PDF:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/SG8JV4GT/Yin et al. - 2014 - Unusual defect physics in CH3NH3PbI3 perovskite so.pdf:application/pdf;Snapshot:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/5E4E5CWP/1.html:text/html},
  keywords = {Chemical potential, Copper, Dielectric oxides, Lead, Solar cells},
  urldate  = {2015-05-19},
}

@Article{Yin15p8926,
  Title                    = {Halide Perovskite Materials for Solar Cells: A Theoretical Review},
  Author                   = {Yin, Wan-Jian and Yang, Ji-Hui and Kang, Joongoo and Yan, Yanfa and Wei, Su-Huai},
  Journal                  = {J. Mater. Chem. A},
  Year                     = {2015},

  Month                    = apr,
  Number                   = {17},
  Pages                    = {8926--8942},
  Volume                   = {3},

  Abstract                 = {Halide perovskites have recently emerged as promising materials for low-cost, high-efficiency solar cells. The efficiency of perovskite-based solar cells has increased rapidly, from 3.8\% in 2009 to 19.3\% in 2014, by using the all-solid-state thin-film architecture and engineering cell structures with mixed-halide perovskites. The emergence of perovskite solar cells revolutionized the field not only because of their rapidly increased efficiency, but also flexibility in material growth and architecture. The superior performance of the perovskite solar cells suggested that perovskite materials possess intrinsically unique properties. In this review, we summarize recent theoretical investigations into the structural, electrical, and optical properties of halide perovskite materials in relation to their applications in solar cells. We also discuss some current challenges of using perovskites in solar cells, along with possible theoretical solutions.},
  Doi                      = {10.1039/C4TA05033A},
  File                     = {Full Text PDF:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/CGSVCN75/Yin et al. - 2015 - Halide perovskite materials for solar cells a the.pdf:application/pdf;Snapshot:/Users/shimac/Library/Application Support/Zotero/Profiles/hq5nznv3.default/zotero/storage/4TISAJ4Z/C4TA05033A.html:text/html},
  ISSN                     = {2050-7496},
  Language                 = {en},
  Shorttitle               = {Halide Perovskite Materials for Solar Cells},
  Url                      = {http://pubs.rsc.org/en/content/articlelanding/2015/ta/c4ta05033a},
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