Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH 3 NH 3 PbI 3 : Implications on Solar Cell Degradation and Choice of Electrode

Ming, Wenmei; Yang, Dongwen; Li, Tianshu; Zhang, Lijun; Du, Mao‐Hua

doi:10.1002/advs.201700662

Title: Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH ₃ NH ₃ PbI ₃ : Implications on Solar Cell Degradation and Choice of Electrode

Journal Article · Wed Dec 27 00:00:00 EST 2017 · Advanced Science

DOI:https://doi.org/10.1002/advs.201700662· OSTI ID:1414958

Ming, Wenmei ^[1]; Yang, Dongwen ^[2]; Li, Tianshu ^[2]; Zhang, Lijun ^[3];

^[1]

Materials Science and Technology Division Oak Ridge National Laboratory Oak Ridge TN 37831 USA
Key Laboratory of Automobile Materials of MOE and Department of Materials Science and Engineering Jilin University Changchun 130012 China
Key Laboratory of Automobile Materials of MOE and Department of Materials Science and Engineering Jilin University Changchun 130012 China, State Key Laboratory of Superhard Materials Jilin University Changchun 130012 China

Abstract Solar cells based on methylammonium lead triiodide (MAPbI ₃ ) have shown remarkable progress in recent years and have demonstrated efficiencies greater than 20%. However, the long‐term stability of MAPbI ₃ ‐based solar cells has yet to be achieved. Besides the well‐known chemical and thermal instabilities, significant native ion migration in lead halide perovskites leads to current–voltage hysteresis and photoinduced phase segregation. Recently, it is further revealed that, despite having excellent chemical stability, the Au electrode can cause serious solar cell degradation due to Au diffusion into MAPbI ₃ . In addition to Au, many other metals have been used as electrodes in MAPbI ₃ solar cells. However, how the external metal impurities introduced by electrodes affect the long‐term stability of MAPbI ₃ solar cells has rarely been studied. A comprehensive study of formation energetics and diffusion dynamics of a number of noble and transition metal impurities (Au, Ag, Cu, Cr, Mo, W, Co, Ni, Pd) in MAPbI ₃ based on first‐principles calculations is reported herein. The results uncover important general trends of impurity formation and diffusion in MAPbI ₃ and provide useful guidance for identifying the optimal metal electrodes that do not introduce electrically active impurity defects in MAPbI ₃ while having low resistivities and suitable work functions for carrier extraction.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

Grant/Contract Number:: AC05-00OR22725; 2016YFB0201204; 61722403; 11404131; 11674121

OSTI ID:: 1414958

Alternate ID(s):: OSTI ID: 1414959; OSTI ID: 1426589

Journal Information:: Advanced Science, Journal Name: Advanced Science Vol. 5 Journal Issue: 2; ISSN 2198-3844

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

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Cited by: 102 works

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References (81)

Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Ionic transport in hybrid lead iodide perovskite solar cells Eames, Christopher; Frost, Jarvist M.; Barnes, Piers R. F. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8497	journal	June 2015
Electronic structures at the interface between Au and CH ₃ NH ₃ PbI ₃ Liu, Xiaoliang; Wang, Chenggong; Lyu, Lu Physical Chemistry Chemical Physics, Vol. 17, Issue 2 https://doi.org/10.1039/C4CP03842H	journal	January 2015
Air-Stable, Efficient Mixed-Cation Perovskite Solar Cells with Cu Electrode by Scalable Fabrication of Active Layer Deng, Yehao; Dong, Qingfeng; Bi, Cheng Advanced Energy Materials, Vol. 6, Issue 11 https://doi.org/10.1002/aenm.201600372	journal	April 2016
Hybrid functionals based on a screened Coulomb potential Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias The Journal of Chemical Physics, Vol. 118, Issue 18 https://doi.org/10.1063/1.1564060	journal	May 2003
Electronic structure and defect properties of Tl $_{6}$ SeI $_{4}$ : Density functional calculations Biswas, Koushik; Du, Mao-Hua; Singh, David J. Physical Review B, Vol. 86, Issue 14 https://doi.org/10.1103/PhysRevB.86.144108	journal	October 2012
Reversible photo-induced trap formation in mixed-halide hybrid perovskites for photovoltaics Hoke, Eric T.; Slotcavage, Daniel J.; Dohner, Emma R. Chemical Science, Vol. 6, Issue 1 https://doi.org/10.1039/C4SC03141E	journal	January 2015
The emergence of perovskite solar cells Green, Martin A.; Ho-Baillie, Anita; Snaith, Henry J. Nature Photonics, Vol. 8, Issue 7, p. 506-514 https://doi.org/10.1038/nphoton.2014.134	journal	July 2014
Low trap-state density and long carrier diffusion in organolead trihalide perovskite single crystals Shi, D.; Adinolfi, V.; Comin, R. Science, Vol. 347, Issue 6221 https://doi.org/10.1126/science.aaa2725	journal	January 2015
Hole-conductor-free perovskite organic lead iodide heterojunction thin-film solar cells: High efficiency and junction property Shi, Jiangjian; Dong, Juan; Lv, Songtao Applied Physics Letters, Vol. 104, Issue 6 https://doi.org/10.1063/1.4864638	journal	February 2014
Native defects in Tl ₆ SI ₄ : Density functional calculations Shi, Hongliang; Du, Mao-Hua Journal of Applied Physics, Vol. 117, Issue 17 https://doi.org/10.1063/1.4917532	journal	May 2015
Ionic polarization-induced current–voltage hysteresis in CH3NH3PbX3 perovskite solar cells Meloni, Simone; Moehl, Thomas; Tress, Wolfgang Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms10334	journal	February 2016
Understanding the rate-dependent J–V hysteresis, slow time component, and aging in CH ₃ NH ₃ PbI ₃ perovskite solar cells: the role of a compensated electric field Tress, W.; Marinova, N.; Moehl, T. Energy & Environmental Science, Vol. 8, Issue 3 https://doi.org/10.1039/C4EE03664F	journal	January 2015
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Defect migration in methylammonium lead iodide and its role in perovskite solar cell operation Azpiroz, Jon M.; Mosconi, Edoardo; Bisquert, Juan Energy & Environmental Science, Vol. 8, Issue 7 https://doi.org/10.1039/C5EE01265A	journal	January 2015
Photovoltaic Switching Mechanism in Lateral Structure Hybrid Perovskite Solar Cells Yuan, Yongbo; Chae, Jungseok; Shao, Yuchuan Advanced Energy Materials, Vol. 5, Issue 15 https://doi.org/10.1002/aenm.201500615	journal	June 2015
First-principles prediction of redox potentials in transition-metal compounds with $LDA + U$ Zhou, F.; Cococcioni, M.; Marianetti, C. A. Physical Review B, Vol. 70, Issue 23 https://doi.org/10.1103/PhysRevB.70.235121	journal	December 2004
Depletion region effect of highly efficient hole conductor free CH ₃ NH ₃ PbI ₃ perovskite solar cells Aharon, Sigalit; Gamliel, Shany; Cohen, Bat El Phys. Chem. Chem. Phys., Vol. 16, Issue 22 https://doi.org/10.1039/C4CP00460D	journal	January 2014
Advances in Perovskite Solar Cells Zuo, Chuantian; Bolink, Henk J.; Han, Hongwei Advanced Science, Vol. 3, Issue 7 https://doi.org/10.1002/advs.201500324	journal	January 2016
Density Functional Calculations of Native Defects in CH ₃ NH ₃ PbI ₃ : Effects of Spin–Orbit Coupling and Self-Interaction Error Du, Mao-Hua The Journal of Physical Chemistry Letters, Vol. 6, Issue 8 https://doi.org/10.1021/acs.jpclett.5b00199	journal	April 2015
Giant switchable photovoltaic effect in organometal trihalide perovskite devices Xiao, Zhengguo; Yuan, Yongbo; Shao, Yuchuan Nature Materials, Vol. 14, Issue 2 https://doi.org/10.1038/nmat4150	journal	December 2014
The Significance of Ion Conduction in a Hybrid Organic-Inorganic Lead-Iodide-Based Perovskite Photosensitizer Yang, Tae-Youl; Gregori, Giuliano; Pellet, Norman Angewandte Chemie, Vol. 127, Issue 27 https://doi.org/10.1002/ange.201500014	journal	May 2015
Ion Migration in Organometal Trihalide Perovskite and Its Impact on Photovoltaic Efficiency and Stability Yuan, Yongbo; Huang, Jinsong Accounts of Chemical Research, Vol. 49, Issue 2 https://doi.org/10.1021/acs.accounts.5b00420	journal	January 2016
Mesoscopic CH₃NH₃PbI₃/TiO₂ Heterojunction Solar Cells Etgar, Lioz; Gao, Peng; Xue, Zhaosheng Journal of the American Chemical Society, Vol. 134, Issue 42, p. 17396-17399 https://doi.org/10.1021/ja307789s	journal	October 2012
Electro-optics of perovskite solar cells Lin, Qianqian; Armin, Ardalan; Nagiri, Ravi Chandra Raju Nature Photonics, Vol. 9, Issue 2 https://doi.org/10.1038/nphoton.2014.284	journal	December 2014
Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs Lany, Stephan; Zunger, Alex Physical Review B, Vol. 78, Issue 23, Article No. 235104 https://doi.org/10.1103/PhysRevB.78.235104	journal	December 2008
Assessing the accuracy of hybrid functionals in the determination of defect levels: Application to the As antisite in GaAs Komsa, Hannu-Pekka; Pasquarello, Alfredo Physical Review B, Vol. 84, Issue 7 https://doi.org/10.1103/PhysRevB.84.075207	journal	August 2011
The work function of the elements and its periodicity Michaelson, Herbert B. Journal of Applied Physics, Vol. 48, Issue 11 https://doi.org/10.1063/1.323539	journal	November 1977
Ground-state properties of multivalent manganese oxides: Density functional and hybrid density functional calculations Franchini, C.; Podloucky, R.; Paier, J. Physical Review B, Vol. 75, Issue 19 https://doi.org/10.1103/PhysRevB.75.195128	journal	May 2007
Chemical instability leads to unusual chemical-potential-independent defect formation and diffusion in perovskite solar cell material CH ₃ NH ₃ PbI ₃ Ming, Wenmei; Chen, Shiyou; Du, Mao-Hua Journal of Materials Chemistry A, Vol. 4, Issue 43 https://doi.org/10.1039/C6TA07492H	journal	January 2016
A climbing image nudged elastic band method for finding saddle points and minimum energy paths Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904 https://doi.org/10.1063/1.1329672	journal	December 2000
Anomalous Hysteresis in Perovskite Solar Cells Snaith, Henry J.; Abate, Antonio; Ball, James M. The Journal of Physical Chemistry Letters, Vol. 5, Issue 9 https://doi.org/10.1021/jz500113x	journal	April 2014
Improved air stability of perovskite solar cells via solution-processed metal oxide transport layers You, Jingbi; Meng, Lei; Song, Tze-Bin Nature Nanotechnology, Vol. 11, Issue 1 https://doi.org/10.1038/nnano.2015.230	journal	October 2015
Electron-hole diffusion lengths > 175 μm in solution-grown CH ₃ NH ₃ PbI ₃ single crystals Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan Science, Vol. 347, Issue 6225 https://doi.org/10.1126/science.aaa5760	journal	January 2015
Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties Stoumpos, Constantinos C.; Malliakas, Christos D.; Kanatzidis, Mercouri G. Inorganic Chemistry, Vol. 52, Issue 15, p. 9019-9038 https://doi.org/10.1021/ic401215x	journal	July 2013
Identifying defect-tolerant semiconductors with high minority-carrier lifetimes: beyond hybrid lead halide perovskites Brandt, Riley E.; Stevanović, Vladan; Ginley, David S. MRS Communications, Vol. 5, Issue 2 https://doi.org/10.1557/mrc.2015.26	journal	May 2015
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 O’Regan, Brian C.; Barnes, Piers R. F.; Li, Xiaoe Journal of the American Chemical Society, Vol. 137, Issue 15 https://doi.org/10.1021/jacs.5b00761	journal	April 2015
A study on utilizing different metals as the back contact of CH ₃ NH ₃ PbI ₃ perovskite solar cells Behrouznejad, F.; Shahbazi, S.; Taghavinia, N. Journal of Materials Chemistry A, Vol. 4, Issue 35 https://doi.org/10.1039/C6TA05938D	journal	January 2016
Origins of the doping asymmetry in oxides: Hole doping in NiO versus electron doping in ZnO Lany, Stephan; Osorio-Guillén, Jorge; Zunger, Alex Physical Review B, Vol. 75, Issue 24 https://doi.org/10.1103/PhysRevB.75.241203	journal	June 2007
Shallow halogen vacancies in halide optoelectronic materials Shi, Hongliang; Du, Mao-Hua Physical Review B, Vol. 90, Issue 17 https://doi.org/10.1103/PhysRevB.90.174103	journal	November 2014
Iodine Migration and Degradation of Perovskite Solar Cells Enhanced by Metallic Electrodes Besleaga, Cristina; Abramiuc, Laura Elena; Stancu, Viorica The Journal of Physical Chemistry Letters, Vol. 7, Issue 24 https://doi.org/10.1021/acs.jpclett.6b02375	journal	November 2016
Role of screening in the density functional applied to transition-metal defects in semiconductors Ivády, Viktor; Abrikosov, I. A.; Janzén, E. Physical Review B, Vol. 87, Issue 20 https://doi.org/10.1103/PhysRevB.87.205201	journal	May 2013
First-principles study of native defects in TlBr: Carrier trapping, compensation, and polarization phemomenon Du, Mao-Hua Journal of Applied Physics, Vol. 108, Issue 5 https://doi.org/10.1063/1.3476564	journal	September 2010
Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites Walsh, Aron; Scanlon, David O.; Chen, Shiyou Angewandte Chemie International Edition, Vol. 54, Issue 6 https://doi.org/10.1002/anie.201409740	journal	December 2014
Fast Diffusion of Native Defects and Impurities in Perovskite Solar Cell Material CH ₃ NH ₃ PbI ₃ Yang, Dongwen; Ming, Wenmei; Shi, Hongliang Chemistry of Materials, Vol. 28, Issue 12 https://doi.org/10.1021/acs.chemmater.6b01348	journal	June 2016
Depleted hole conductor-free lead halide iodide heterojunction solar cells Laban, Waleed Abu; Etgar, Lioz Energy & Environmental Science, Vol. 6, Issue 11 https://doi.org/10.1039/c3ee42282h	journal	January 2013
Not All That Glitters Is Gold: Metal-Migration-Induced Degradation in Perovskite Solar Cells Domanski, Konrad; Correa-Baena, Juan-Pablo; Mine, Nicolas ACS Nano, Vol. 10, Issue 6 https://doi.org/10.1021/acsnano.6b02613	journal	May 2016
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Is Cu a stable electrode material in hybrid perovskite solar cells for a 30-year lifetime? Zhao, Jingjing; Zheng, Xiaopeng; Deng, Yehao Energy & Environmental Science, Vol. 9, Issue 12 https://doi.org/10.1039/C6EE02980A	journal	January 2016
Spontaneous configurational evolution induced by an in situ self-formed p-type CuI interface layer in perovskite solar cells Yi, Yong; Zhu, Weidong; Li, Faming RSC Advances, Vol. 6, Issue 86 https://doi.org/10.1039/C6RA19702G	journal	January 2016
Unusual defect physics in CH ₃ NH ₃ PbI ₃ perovskite solar cell absorber Yin, Wan-Jian; Shi, Tingting; Yan, Yanfa Applied Physics Letters, Vol. 104, Issue 6 https://doi.org/10.1063/1.4864778	journal	February 2014
Band-edge problem in the theoretical determination of defect energy levels: The O vacancy in ZnO as a benchmark case Alkauskas, Audrius; Pasquarello, Alfredo Physical Review B, Vol. 84, Issue 12 https://doi.org/10.1103/PhysRevB.84.125206	journal	September 2011
Highly efficient perovskite solar cells based on mechanically durable molybdenum cathode Jeong, Inyoung; Jin Kim, Hae; Lee, Byung-Seok Nano Energy, Vol. 17 https://doi.org/10.1016/j.nanoen.2015.07.025	journal	October 2015
Influence of the exchange screening parameter on the performance of screened hybrid functionals Krukau, Aliaksandr V.; Vydrov, Oleg A.; Izmaylov, Artur F. The Journal of Chemical Physics, Vol. 125, Issue 22 https://doi.org/10.1063/1.2404663	journal	December 2006
Alignment of defect levels and band edges through hybrid functionals: Effect of screening in the exchange term Komsa, Hannu-Pekka; Broqvist, Peter; Pasquarello, Alfredo Physical Review B, Vol. 81, Issue 20 https://doi.org/10.1103/PhysRevB.81.205118	journal	May 2010
Silver Iodide Formation in Methyl Ammonium Lead Iodide Perovskite Solar Cells with Silver Top Electrodes Kato, Yuichi; Ono, Luis K.; Lee, Michael V. Advanced Materials Interfaces, Vol. 2, Issue 13 https://doi.org/10.1002/admi.201500195	journal	July 2015
Enhanced Born charge and proximity to ferroelectricity in thallium halides Du, Mao-Hua; Singh, David J. Physical Review B, Vol. 81, Issue 14 https://doi.org/10.1103/PhysRevB.81.144114	journal	April 2010
Analysis of Multivalley and Multibandgap Absorption and Enhancement of Free Carriers Related to Exciton Screening in Hybrid Perovskites Even, Jacky; Pedesseau, Laurent; Katan, Claudine The Journal of Physical Chemistry C, Vol. 118, Issue 22 https://doi.org/10.1021/jp503337a	journal	May 2014
The efficiency limit of CH ₃ NH ₃ PbI ₃ perovskite solar cells Sha, Wei E. I.; Ren, Xingang; Chen, Luzhou Applied Physics Letters, Vol. 106, Issue 22 https://doi.org/10.1063/1.4922150	journal	June 2015
Electric-Field-Driven Reversible Conversion Between Methylammonium Lead Triiodide Perovskites and Lead Iodide at Elevated Temperatures Yuan, Yongbo; Wang, Qi; Shao, Yuchuan Advanced Energy Materials, Vol. 6, Issue 2 https://doi.org/10.1002/aenm.201501803	journal	December 2015
New Physical Deposition Approach for Low Cost Inorganic Hole Transport Layer in Normal Architecture of Durable Perovskite Solar Cells Abdollahi Nejand, Bahram; Ahmadi, Vahid; Shahverdi, Hamid Reza ACS Applied Materials & Interfaces, Vol. 7, Issue 39 https://doi.org/10.1021/acsami.5b05477	journal	September 2015
Electrical resistivity of copper, gold, palladium, and silver Matula, R. A. Journal of Physical and Chemical Reference Data, Vol. 8, Issue 4, p. 1147-1298 https://doi.org/10.1063/1.555614	journal	October 1979
Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber Stranks, S. D.; Eperon, G. E.; Grancini, G. Science, Vol. 342, Issue 6156, p. 341-344 https://doi.org/10.1126/science.1243982	journal	October 2013
Long-Range Balanced Electron- and Hole-Transport Lengths in Organic-Inorganic CH₃NH₃PbI₃ Xing, G.; Mathews, N.; Sun, S. Science, Vol. 342, Issue 6156, p. 344-347 https://doi.org/10.1126/science.1243167	journal	October 2013
Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications Baikie, Tom; Fang, Yanan; Kadro, Jeannette M. Journal of Materials Chemistry A, Vol. 1, Issue 18 https://doi.org/10.1039/c3ta10518k	journal	January 2013
Dielectric study of CH3NH3PbX3 (X = Cl, Br, I) Onoda-Yamamuro, Noriko; Matsuo, Takasuke; Suga, Hiroshi Journal of Physics and Chemistry of Solids, Vol. 53, Issue 7 https://doi.org/10.1016/0022-3697(92)90121-S	journal	July 1992
Efficient planar heterojunction perovskite solar cells by vapour deposition Liu, Mingzhen; Johnston, Michael B.; Snaith, Henry J. Nature, Vol. 501, Issue 7467, p. 395-398 https://doi.org/10.1038/nature12509	journal	September 2013
Defect Energy Levels in Density Functional Calculations: Alignment and Band Gap Problem Alkauskas, Audrius; Broqvist, Peter; Pasquarello, Alfredo Physical Review Letters, Vol. 101, Issue 4 https://doi.org/10.1103/PhysRevLett.101.046405	journal	July 2008
Non-precious transition metals as counter electrode of perovskite solar cells Wang, Lu; Li, Guo-Ran; Zhao, Qian Energy Storage Materials, Vol. 7 https://doi.org/10.1016/j.ensm.2016.11.007	journal	April 2017
Nickel-Cathoded Perovskite Solar Cells Jiang, Qinglong; Sheng, Xia; Shi, Bing The Journal of Physical Chemistry C, Vol. 118, Issue 45 https://doi.org/10.1021/jp506991x	journal	November 2014
Achieving long-term stable perovskite solar cells via ion neutralization Back, Hyungcheol; Kim, Geunjin; Kim, Junghwan Energy & Environmental Science, Vol. 9, Issue 4 https://doi.org/10.1039/C6EE00612D	journal	January 2016
Oxidation energies of transition metal oxides within the $GGA + U$ framework Wang, Lei; Maxisch, Thomas; Ceder, Gerbrand Physical Review B, Vol. 73, Issue 19 https://doi.org/10.1103/PhysRevB.73.195107	journal	May 2006
Electro-migration of impurities in TlBr Kim, Ki Hyun; Kim, Eunlim; Kim, H. Journal of Applied Physics, Vol. 114, Issue 13 https://doi.org/10.1063/1.4823781	journal	October 2013
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points Henkelman, Graeme; Jónsson, Hannes The Journal of Chemical Physics, Vol. 113, Issue 22 https://doi.org/10.1063/1.1323224	journal	December 2000
First-Principles Study of Ion Diffusion in Perovskite Solar Cell Sensitizers Haruyama, Jun; Sodeyama, Keitaro; Han, Liyuan Journal of the American Chemical Society, Vol. 137, Issue 32 https://doi.org/10.1021/jacs.5b03615	journal	August 2015
Theoretical Description of Carrier Mediated Magnetism in Cobalt Doped ZnO Walsh, Aron; Da Silva, Juarez L. F.; Wei, Su-Huai Physical Review Letters, Vol. 100, Issue 25 https://doi.org/10.1103/PhysRevLett.100.256401	journal	June 2008
Theoretical unification of hybrid-DFT and $DFT + U$ methods for the treatment of localized orbitals Ivády, Viktor; Armiento, Rickard; Szász, Krisztián Physical Review B, Vol. 90, Issue 3 https://doi.org/10.1103/PhysRevB.90.035146	journal	July 2014
Photoinduced Giant Dielectric Constant in Lead Halide Perovskite Solar Cells Juarez-Perez, Emilio J.; Sanchez, Rafael S.; Badia, Laura The Journal of Physical Chemistry Letters, Vol. 5, Issue 13 https://doi.org/10.1021/jz5011169	journal	June 2014
Efficient carrier transport in halide perovskites: theoretical perspectives Du, M. H. Journal of Materials Chemistry A, Vol. 2, Issue 24 https://doi.org/10.1039/C4TA01198H	journal	January 2014
Interfacial Degradation of Planar Lead Halide Perovskite Solar Cells Guerrero, Antonio; You, Jingbi; Aranda, Clara ACS Nano, Vol. 10, Issue 1 https://doi.org/10.1021/acsnano.5b03687	journal	December 2015
Hybrid Organic-Inorganic Perovskites (HOIPs): Opportunities and Challenges Berry, Joseph; Buonassisi, Tonio; Egger, David A. Advanced Materials, Vol. 27, Issue 35 https://doi.org/10.1002/adma.201502294	journal	July 2015

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Title: Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH ₃ NH ₃ PbI ₃ : Implications on Solar Cell Degradation and Choice of Electrode