Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination
Abstract
Low-cost solution-based synthesis of metal halide perovskites (MHPs) invariably introduces defects in the system, which could form Shockley-Read-Hall (SRH) electron-hole recombination centers detrimental to solar conversion efficiency. Here, we investigate the nonradiative recombination processes due to native point defects in methylammonium lead halide (MAPbI3) perovskites using ab initio nonadiabatic molecular dynamics within surface-hopping framework. Regardless of whether the defects introduce a shallow or deep band state, we find that charge recombination in MAPbI3is not enhanced, contrary to predictions from SRH theory. We demonstrate that this strong tolerance against defects, and hence the breakdown of SRH, arises because the photogenerated carriers are only coupled with low-frequency phonons and electron and hole states overlap weakly. Both factors appreciably decrease the nonadiabatic coupling. We argue that the soft nature of the inorganic lattice with small bulk modulus is key for defect tolerance, and hence, the findings are general to other MHPs.
- Authors:
-
[1];
[2];
[4];
[5]
- University of Science and Technology of China, Hefei (China). ICQD/Hefei National Laboratory for Physical Sciences at the Microscale, CAS Key Laboratory of Strongly-Coupled Quantum Matter Physics; Univ. of Southern California, Los Angeles, CA (United States). Departments of Chemistry, and Physics and Astronomy
- University of Science and Technology of China, Hefei (China). ICQD/Hefei National Laboratory for Physical Sciences at the Microscale, CAS Key Laboratory of Strongly-Coupled Quantum Matter Physics
- Univ. of Southern California, Los Angeles, CA (United States). Departments of Chemistry, and Physics and Astronomy
- University of Science and Technology of China, Hefei (China). ICQD/Hefei National Laboratory for Physical Sciences at the Microscale, CAS Key Laboratory of Strongly-Coupled Quantum Matter Physics; Univ. of Pittsburgh, PA (United States). Department of Physics and Astronomy; University of Science and Technology of China, Hefei (China).Synergetic Innovation Center of Quantum Information and Quantum Physics
- niv. of Pittsburgh, PA (United States). Department of Mechanical Engineering and Materials Science
- Publication Date:
- Research Org.:
- Argonne National Laboratory (ANL), Argonne, IL (United States); Univ. of Southern California, Los Angeles, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1626015
- Grant/Contract Number:
- AC02-06CH11357; SC0014429
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Science Advances
- Additional Journal Information:
- Journal Volume: 6; Journal Issue: 7; Journal ID: ISSN 2375-2548
- Publisher:
- AAAS
- Country of Publication:
- United States
- Language:
- English
- Subject:
- Science & Technology - Other Topics
Citation Formats
Chu, Weibin, Zheng, Qijing, Prezhdo, Oleg V., Zhao, Jin, and Saidi, Wissam A. Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination. United States: N. p., 2020.
Web. doi:10.1126/sciadv.aaw7453.
Chu, Weibin, Zheng, Qijing, Prezhdo, Oleg V., Zhao, Jin, & Saidi, Wissam A. Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination. United States. https://doi.org/10.1126/sciadv.aaw7453
Chu, Weibin, Zheng, Qijing, Prezhdo, Oleg V., Zhao, Jin, and Saidi, Wissam A. Sat .
"Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination". United States. https://doi.org/10.1126/sciadv.aaw7453. https://www.osti.gov/servlets/purl/1626015.
@article{osti_1626015,
title = {Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination},
author = {Chu, Weibin and Zheng, Qijing and Prezhdo, Oleg V. and Zhao, Jin and Saidi, Wissam A.},
abstractNote = {Low-cost solution-based synthesis of metal halide perovskites (MHPs) invariably introduces defects in the system, which could form Shockley-Read-Hall (SRH) electron-hole recombination centers detrimental to solar conversion efficiency. Here, we investigate the nonradiative recombination processes due to native point defects in methylammonium lead halide (MAPbI3) perovskites using ab initio nonadiabatic molecular dynamics within surface-hopping framework. Regardless of whether the defects introduce a shallow or deep band state, we find that charge recombination in MAPbI3is not enhanced, contrary to predictions from SRH theory. We demonstrate that this strong tolerance against defects, and hence the breakdown of SRH, arises because the photogenerated carriers are only coupled with low-frequency phonons and electron and hole states overlap weakly. Both factors appreciably decrease the nonadiabatic coupling. We argue that the soft nature of the inorganic lattice with small bulk modulus is key for defect tolerance, and hence, the findings are general to other MHPs.},
doi = {10.1126/sciadv.aaw7453},
journal = {Science Advances},
number = 7,
volume = 6,
place = {United States},
year = {Sat Feb 01 00:00:00 EST 2020},
month = {Sat Feb 01 00:00:00 EST 2020}
}
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Works referenced in this record:
The Role of Intrinsic Defects in Methylammonium Lead Iodide Perovskite
journal, March 2014
- Kim, Jongseob; Lee, Sung-Hoon; Lee, Jung Hoon
- The Journal of Physical Chemistry Letters, Vol. 5, Issue 8
Charge Carriers in Hybrid Organic–Inorganic Lead Halide Perovskites Might Be Protected as Large Polarons
journal, November 2015
- Zhu, X. -Y.; Podzorov, V.
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 23
Charge Carriers in Hybrid Organic–Inorganic Lead Halide Perovskites Might Be Protected as Large Polarons
journal, November 2015
- Zhu, X. -Y.; Podzorov, V.
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 23
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Segregation of Native Defects to the Grain Boundaries in Methylammonium Lead Iodide Perovskite
journal, November 2017
- Shan, Weitao; Saidi, Wissam A.
- The Journal of Physical Chemistry Letters, Vol. 8, Issue 23
Segregation of Native Defects to the Grain Boundaries in Methylammonium Lead Iodide Perovskite
journal, November 2017
- Shan, Weitao; Saidi, Wissam A.
- The Journal of Physical Chemistry Letters, Vol. 8, Issue 23
Temperature dependent energy levels of methylammonium lead iodide perovskite
journal, June 2015
- Foley, Benjamin J.; Marlowe, Daniel L.; Sun, Keye
- Applied Physics Letters, Vol. 106, Issue 24
Recombination activity of interstitial iron and other transition metal point defects in p- and n-type crystalline silicon
journal, November 2004
- Macdonald, Daniel; Geerligs, L. J.
- Applied Physics Letters, Vol. 85, Issue 18
Local polar fluctuations in lead halide perovskite crystals
text, January 2016
- Yaffe, Omer; Guo, Yinsheng; Tan, Liang Z.
- arXiv
Temperature-Dependent Charge-Carrier Dynamics in CH 3 NH 3 PbI 3 Perovskite Thin Films
journal, September 2015
- Milot, Rebecca L.; Eperon, Giles E.; Snaith, Henry J.
- Advanced Functional Materials, Vol. 25, Issue 39
Delocalized Impurity Phonon Induced Electron–Hole Recombination in Doped Semiconductors
journal, February 2018
- Zhang, Lili; Zheng, Qijing; Xie, Yu
- Nano Letters, Vol. 18, Issue 3
Lead Halide Perovskite Nanocrystals in the Research Spotlight: Stability and Defect Tolerance
journal, August 2017
- Huang, He; Bodnarchuk, Maryna I.; Kershaw, Stephen V.
- ACS Energy Letters, Vol. 2, Issue 9
Proton transfer in solution: Molecular dynamics with quantum transitions
journal, September 1994
- Hammes‐Schiffer, Sharon; Tully, John C.
- The Journal of Chemical Physics, Vol. 101, Issue 6
Statistics of the Recombinations of Holes and Electrons
journal, September 1952
- Shockley, W.; Read, W. T.
- Physical Review, Vol. 87, Issue 5
Ferroelectric large polarons
journal, April 2018
- Miyata, Kiyoshi; Zhu, X. -Y.
- Nature Materials, Vol. 17, Issue 5
Temperature Dependence of the Energy Levels of Methylammonium Lead Iodide Perovskite from First Principles
text, January 2016
- Saidi, Wissam A.; Poncé, Samuel; Monserrat, Bartomeu
- arXiv
Photovoltaic behaviour of lead methylammonium triiodide perovskite solar cells down to 80 K
journal, January 2015
- Zhang, Hua; Qiao, Xianfeng; Shen, Yan
- Journal of Materials Chemistry A, Vol. 3, Issue 22
Delocalized Impurity Phonon Induced Electron–Hole Recombination in Doped Semiconductors
journal, February 2018
- Zhang, Lili; Zheng, Qijing; Xie, Yu
- Nano Letters, Vol. 18, Issue 3
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Band-edge problem in the theoretical determination of defect energy levels: The O vacancy in ZnO as a benchmark case
journal, September 2011
- Alkauskas, Audrius; Pasquarello, Alfredo
- Physical Review B, Vol. 84, Issue 12
Decoherence-induced surface hopping
journal, December 2012
- Jaeger, Heather M.; Fischer, Sean; Prezhdo, Oleg V.
- The Journal of Chemical Physics, Vol. 137, Issue 22
Temperature Dependence of the Energy Levels of Methylammonium Lead Iodide Perovskite from First-Principles
journal, November 2016
- Saidi, Wissam A.; Poncé, Samuel; Monserrat, Bartomeu
- The Journal of Physical Chemistry Letters, Vol. 7, Issue 24
Phonons and defects in semiconductors and nanostructures: Phonon trapping, phonon scattering, and heat flow at heterojunctions
journal, January 2014
- Estreicher, S. K.; Gibbons, T. M.; Kang, By.
- Journal of Applied Physics, Vol. 115, Issue 1
Quantum Zeno Effect Rationalizes the Phonon Bottleneck in Semiconductor Quantum Dots
journal, May 2013
- Kilina, Svetlana V.; Neukirch, Amanda J.; Habenicht, Bradley F.
- Physical Review Letters, Vol. 110, Issue 18
Nature of the cubic to tetragonal phase transition in methylammonium lead iodide perovskite
journal, October 2016
- Saidi, Wissam A.; Choi, Joshua J.
- The Journal of Chemical Physics, Vol. 145, Issue 14
A Simple Phase Correction Makes a Big Difference in Nonadiabatic Molecular Dynamics
journal, September 2018
- Akimov, Alexey V.
- The Journal of Physical Chemistry Letters, Vol. 9, Issue 20
High Defect Tolerance in Lead Halide Perovskite CsPbBr 3
journal, January 2017
- Kang, Jun; Wang, Lin-Wang
- The Journal of Physical Chemistry Letters, Vol. 8, Issue 2
Strong Covalency-Induced Recombination Centers in Perovskite Solar Cell Material CH 3 NH 3 PbI 3
journal, October 2014
- Agiorgousis, Michael L.; Sun, Yi-Yang; Zeng, Hao
- Journal of the American Chemical Society, Vol. 136, Issue 41
Behavior of Methylammonium Dipoles in MAPbX 3 (X = Br and I)
journal, August 2017
- Govinda, Sharada; Kore, Bhushan P.; Bokdam, Menno
- The Journal of Physical Chemistry Letters, Vol. 8, Issue 17
Behavior of Methylammonium Dipoles in MAPbX 3 (X = Br and I)
journal, August 2017
- Govinda, Sharada; Kore, Bhushan P.; Bokdam, Menno
- The Journal of Physical Chemistry Letters, Vol. 8, Issue 17
Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface
journal, September 2017
- Zheng, Qijing; Saidi, Wissam A.; Xie, Yu
- Nano Letters, Vol. 17, Issue 10
Ab initiomolecular dynamics for liquid metals
journal, January 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 47, Issue 1, p. 558-561
Solar cell efficiency tables (Version 45): Solar cell efficiency tables
journal, December 2014
- Green, Martin A.; Emery, Keith; Hishikawa, Yoshihiro
- Progress in Photovoltaics: Research and Applications, Vol. 23, Issue 1
Acoustic-optical phonon up-conversion and hot-phonon bottleneck in lead-halide perovskites
journal, January 2017
- Yang, Jianfeng; Wen, Xiaoming; Xia, Hongze
- Nature Communications, Vol. 8, Issue 1
Effects of Electron–Phonon Coupling on Electronic Properties of Methylammonium Lead Iodide Perovskites
journal, December 2018
- Saidi, Wissam A.; Kachmar, Ali
- The Journal of Physical Chemistry Letters, Vol. 9, Issue 24
Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications
journal, March 2014
- Umari, Paolo; Mosconi, Edoardo; De Angelis, Filippo
- Scientific Reports, Vol. 4, Issue 1
Predicting the Open-Circuit Voltage of CH 3 NH 3 PbI 3 Perovskite Solar Cells Using Electroluminescence and Photovoltaic Quantum Efficiency Spectra: the Role of Radiative and Non-Radiative Recombination
journal, September 2014
- Tress, Wolfgang; Marinova, Nevena; Inganäs, Olle
- Advanced Energy Materials, Vol. 5, Issue 3
Unique Properties of Halide Perovskites as Possible Origins of the Superior Solar Cell Performance
journal, May 2014
- Yin, Wan-Jian; Shi, Tingting; Yan, Yanfa
- Advanced Materials, Vol. 26, Issue 27
A simple correlation for the operating temperature of photovoltaic modules of arbitrary mounting
journal, November 2008
- Skoplaki, E.; Boudouvis, A. G.; Palyvos, J. A.
- Solar Energy Materials and Solar Cells, Vol. 92, Issue 11
Electron-hole diffusion lengths > 175 μm in solution-grown CH 3 NH 3 PbI 3 single crystals
journal, January 2015
- Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan
- Science, Vol. 347, Issue 6225
Lead Halide Perovskite Nanocrystals in the Research Spotlight: Stability and Defect Tolerance
journal, August 2017
- Huang, He; Bodnarchuk, Maryna I.; Kershaw, Stephen V.
- ACS Energy Letters, Vol. 2, Issue 9
Electronic properties of the metastable defect in boron-doped Czochralski silicon: Unambiguous determination by advanced lifetime spectroscopy
journal, February 2003
- Rein, S.; Glunz, S. W.
- Applied Physics Letters, Vol. 82, Issue 7
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
journal, April 2010
- Grimme, Stefan; Antony, Jens; Ehrlich, Stephan
- The Journal of Chemical Physics, Vol. 132, Issue 15
Ultrafast THz Probe of Photoinduced Polarons in Lead-Halide Perovskites
journal, April 2019
- Cinquanta, Eugenio; Meggiolaro, Daniele; Motti, Silvia G.
- Physical Review Letters, Vol. 122, Issue 16
Comparison of Recombination Dynamics in CH 3 NH 3 PbBr 3 and CH 3 NH 3 PbI 3 Perovskite Films: Influence of Exciton Binding Energy
journal, November 2015
- Yang, Ye; Yang, Mengjin; Li, Zhen
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 23
Extended carrier lifetimes and diffusion in hybrid perovskites revealed by Hall effect and photoconductivity measurements
journal, August 2016
- Chen, Y.; Yi, H. T.; Wu, X.
- Nature Communications, Vol. 7, Issue 1
Photocarrier Recombination Dynamics in Perovskite CH 3 NH 3 PbI 3 for Solar Cell Applications
journal, August 2014
- Yamada, Yasuhiro; Nakamura, Toru; Endo, Masaru
- Journal of the American Chemical Society, Vol. 136, Issue 33
The Raman Spectrum of the CH 3 NH 3 PbI 3 Hybrid Perovskite: Interplay of Theory and Experiment
journal, December 2013
- Quarti, Claudio; Grancini, Giulia; Mosconi, Edoardo
- The Journal of Physical Chemistry Letters, Vol. 5, Issue 2
Ultrafast Dynamics of Photongenerated Holes at a CH 3 OH/TiO 2 Rutile Interface
journal, October 2016
- Chu, Weibin; Saidi, Wissam A.; Zheng, Qijing
- Journal of the American Chemical Society, Vol. 138, Issue 41
Structural Stabilities and Electronic Properties of High-Angle Grain Boundaries in Perovskite Cesium Lead Halides
journal, January 2017
- Guo, Yaguang; Wang, Qian; Saidi, Wissam A.
- The Journal of Physical Chemistry C, Vol. 121, Issue 3
General behavior of longitudinal optical phonons in cubic diatomic crystals
journal, May 2004
- Baonza, V. G.
- Solid State Communications, Vol. 130, Issue 6
Photocarrier Recombination Dynamics in Perovskite CH 3 NH 3 PbI 3 for Solar Cell Applications
journal, August 2014
- Yamada, Yasuhiro; Nakamura, Toru; Endo, Masaru
- Journal of the American Chemical Society, Vol. 136, Issue 33
Brief report: The bulk modulus-volume relationship for oxides
journal, June 1970
- Anderson, Don L.; Anderson, Orson L.
- Journal of Geophysical Research, Vol. 75, Issue 17
Unravelling the Effects of Grain Boundary and Chemical Doping on Electron–Hole Recombination in CH 3 NH 3 PbI 3 Perovskite by Time-Domain Atomistic Simulation
journal, March 2016
- Long, Run; Liu, Jin; Prezhdo, Oleg V.
- Journal of the American Chemical Society, Vol. 138, Issue 11
Defects in perovskite-halides and their effects in solar cells
journal, October 2016
- Ball, James M.; Petrozza, Annamaria
- Nature Energy, Vol. 1, Issue 11
Extended carrier lifetimes and diffusion in hybrid perovskites revealed by Hall effect and photoconductivity measurements
journal, August 2016
- Chen, Y.; Yi, H. T.; Wu, X.
- Nature Communications, Vol. 7, Issue 1
Large polarons in lead halide perovskites
journal, August 2017
- Miyata, Kiyoshi; Meggiolaro, Daniele; Trinh, M. Tuan
- Science Advances, Vol. 3, Issue 8
Unravelling the Effects of Grain Boundary and Chemical Doping on Electron–Hole Recombination in CH 3 NH 3 PbI 3 Perovskite by Time-Domain Atomistic Simulation
journal, March 2016
- Long, Run; Liu, Jin; Prezhdo, Oleg V.
- Journal of the American Chemical Society, Vol. 138, Issue 11
Unusual defect physics in CH 3 NH 3 PbI 3 perovskite solar cell absorber
journal, February 2014
- Yin, Wan-Jian; Shi, Tingting; Yan, Yanfa
- Applied Physics Letters, Vol. 104, Issue 6
Unique Properties of Halide Perovskites as Possible Origins of the Superior Solar Cell Performance
journal, May 2014
- Yin, Wan-Jian; Shi, Tingting; Yan, Yanfa
- Advanced Materials, Vol. 26, Issue 27
Iodine chemistry determines the defect tolerance of lead-halide perovskites
journal, January 2018
- Meggiolaro, Daniele; Motti, Silvia G.; Mosconi, Edoardo
- Energy & Environmental Science, Vol. 11, Issue 3
Impact of microstructure on local carrier lifetime in perovskite solar cells
journal, April 2015
- de Quilettes, D. W.; Vorpahl, S. M.; Stranks, S. D.
- Science, Vol. 348, Issue 6235
The efficiency limit of CH 3 NH 3 PbI 3 perovskite solar cells
journal, June 2015
- Sha, Wei E. I.; Ren, Xingang; Chen, Luzhou
- Applied Physics Letters, Vol. 106, Issue 22
Methodologies toward Highly Efficient Perovskite Solar Cells
journal, February 2018
- Seok, Sang Il; Grätzel, Michael; Park, Nam-Gyu
- Small, Vol. 14, Issue 20
Long-Range Balanced Electron- and Hole-Transport Lengths in Organic-Inorganic CH3NH3PbI3
journal, October 2013
- Xing, G.; Mathews, N.; Sun, S.
- Science, Vol. 342, Issue 6156, p. 344-347
Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber
journal, October 2013
- Stranks, S. D.; Eperon, G. E.; Grancini, G.
- Science, Vol. 342, Issue 6156, p. 341-344
Carrier trapping and recombination: the role of defect physics in enhancing the open circuit voltage of metal halide perovskite solar cells
journal, January 2016
- Leijtens, Tomas; Eperon, Giles E.; Barker, Alex J.
- Energy & Environmental Science, Vol. 9, Issue 11
Nature of the cubic to tetragonal phase transition in methylammonium lead iodide perovskite
journal, October 2016
- Saidi, Wissam A.; Choi, Joshua J.
- The Journal of Chemical Physics, Vol. 145, Issue 14
Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber
journal, October 2013
- Stranks, S. D.; Eperon, G. E.; Grancini, G.
- Science, Vol. 342, Issue 6156, p. 341-344
The Impact of the Crystallization Processes on the Structural and Optical Properties of Hybrid Perovskite Films for Photovoltaics
journal, October 2014
- Grancini, Giulia; Marras, Sergio; Prato, Mirko
- The Journal of Physical Chemistry Letters, Vol. 5, Issue 21
The Impact of the Crystallization Processes on the Structural and Optical Properties of Hybrid Perovskite Films for Photovoltaics
journal, October 2014
- Grancini, Giulia; Marras, Sergio; Prato, Mirko
- The Journal of Physical Chemistry Letters, Vol. 5, Issue 21
A Simple Phase Correction Makes a Big Difference in Nonadiabatic Molecular Dynamics
journal, September 2018
- Akimov, Alexey V.
- The Journal of Physical Chemistry Letters, Vol. 9, Issue 20
Hole Trapping by Iodine Interstitial Defects Decreases Free Carrier Losses in Perovskite Solar Cells: A Time-Domain Ab Initio Study
journal, May 2017
- Li, Wei; Liu, Jin; Bai, Fu-Quan
- ACS Energy Letters, Vol. 2, Issue 6
Comparison of Recombination Dynamics in CH 3 NH 3 PbBr 3 and CH 3 NH 3 PbI 3 Perovskite Films: Influence of Exciton Binding Energy
journal, November 2015
- Yang, Ye; Yang, Mengjin; Li, Zhen
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 23
Structural and electronic properties of hybrid perovskites for high-efficiency thin-film photovoltaics from first-principles
journal, October 2013
- Brivio, Federico; Walker, Alison B.; Walsh, Aron
- APL Materials, Vol. 1, Issue 4
Prediction of bulk modulus at high temperatures from longitudinal phonon frequencies: Application to diamond, , and
journal, January 2006
- Aguado, F.; Baonza, V. G.
- Physical Review B, Vol. 73, Issue 2
Importance of Spin–Orbit Coupling in Hybrid Organic/Inorganic Perovskites for Photovoltaic Applications
journal, August 2013
- Even, Jacky; Pedesseau, Laurent; Jancu, Jean-Marc
- The Journal of Physical Chemistry Letters, Vol. 4, Issue 17
Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells
journal, March 1961
- Shockley, William; Queisser, Hans J.
- Journal of Applied Physics, Vol. 32, Issue 3, p. 510-519
Ferroelectric large polarons
journal, April 2018
- Miyata, Kiyoshi; Zhu, X. -Y.
- Nature Materials, Vol. 17, Issue 5
High Charge Carrier Mobilities and Lifetimes in Organolead Trihalide Perovskites
journal, December 2013
- Wehrenfennig, Christian; Eperon, Giles E.; Johnston, Michael B.
- Advanced Materials, Vol. 26, Issue 10
Proton transfer in solution: Molecular dynamics with quantum transitions
journal, September 1994
- Hammes‐Schiffer, Sharon; Tully, John C.
- The Journal of Chemical Physics, Vol. 101, Issue 6
Organic–inorganic hybrid lead halide perovskites for optoelectronic and electronic applications
journal, January 2016
- Zhao, Yixin; Zhu, Kai
- Chemical Society Reviews, Vol. 45, Issue 3
Effects of Electron–Phonon Coupling on Electronic Properties of Methylammonium Lead Iodide Perovskites
journal, December 2018
- Saidi, Wissam A.; Kachmar, Ali
- The Journal of Physical Chemistry Letters, Vol. 9, Issue 24
Ultrafast THz probe of photo-induced polarons in lead-halide perovskites
text, January 2018
- Cinquanta, Eugenio; Meggiolaro, Daniele; Motti, Silvia G.
- arXiv
Validity of simplified Shockley-Read-Hall statistics for modeling carrier lifetimes in crystalline silicon
journal, February 2003
- Macdonald, Daniel; Cuevas, Andrés
- Physical Review B, Vol. 67, Issue 7
Radiative efficiency of lead iodide based perovskite solar cells
journal, August 2014
- Tvingstedt, Kristofer; Malinkiewicz, Olga; Baumann, Andreas
- Scientific Reports, Vol. 4, Issue 1
Efficient carrier transport in halide perovskites: theoretical perspectives
journal, January 2014
- Du, M. H.
- Journal of Materials Chemistry A, Vol. 2, Issue 24
Strong Covalency-Induced Recombination Centers in Perovskite Solar Cell Material CH 3 NH 3 PbI 3
journal, October 2014
- Agiorgousis, Michael L.; Sun, Yi-Yang; Zeng, Hao
- Journal of the American Chemical Society, Vol. 136, Issue 41
Direct observation of intercenter charge transfer in dominant nonradiative recombination channels in silicon
journal, September 1991
- Chen, W. M.; Monemar, B.; Janzén, E.
- Physical Review Letters, Vol. 67, Issue 14
Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications
journal, March 2014
- Umari, Paolo; Mosconi, Edoardo; De Angelis, Filippo
- Scientific Reports, Vol. 4, Issue 1