First-Principles Simulation of Carrier Recombination Mechanisms in Halide Perovskites
Abstract
Abstract In recent years, there have been remarkable developments in halide perovskites, which are used in highly efficient optoelectronic devices and exhibit intriguing materials physics. Detailed knowledge of carrier recombination mechanisms is essential for understanding their excellent performance and to further increase their efficiency. Obtaining such knowledge is challenging however, and different studies have reached divergent conclusions in some cases. This progress report outlines the critical developments in understanding the carrier recombination mechanisms in halide perovskites from a computational perspective. The primary focus is radiative and Auger recombination, since they have not been systematically assessed and discussed before, and a number of important issues have been actively debated. This comprehensive discussion of the carrier recombination mechanisms is aimed at establishing physically justified insights that can form the basis for better materials and devices design.
- Publication Date:
- Research Org.:
- Univ. of California, Santa Barbara, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1802150
- Alternate Identifier(s):
- OSTI ID: 1608733
- Grant/Contract Number:
- SC0010689; AC02-05CH11231; DE‐AC0205CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Advanced Energy Materials
- Additional Journal Information:
- Journal Volume: 10; Journal Issue: 13; Journal ID: ISSN 1614-6832
- Publisher:
- Wiley
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION; first principles; radiative recombination; auger recombination; halide perovskites
Citation Formats
Zhang, Xie, Shen, Jimmy‐Xuan, and Van de Walle, Chris G. First-Principles Simulation of Carrier Recombination Mechanisms in Halide Perovskites. United States: N. p., 2019.
Web. doi:10.1002/aenm.201902830.
Zhang, Xie, Shen, Jimmy‐Xuan, & Van de Walle, Chris G. First-Principles Simulation of Carrier Recombination Mechanisms in Halide Perovskites. United States. https://doi.org/10.1002/aenm.201902830
Zhang, Xie, Shen, Jimmy‐Xuan, and Van de Walle, Chris G. Tue .
"First-Principles Simulation of Carrier Recombination Mechanisms in Halide Perovskites". United States. https://doi.org/10.1002/aenm.201902830. https://www.osti.gov/servlets/purl/1802150.
@article{osti_1802150,
title = {First-Principles Simulation of Carrier Recombination Mechanisms in Halide Perovskites},
author = {Zhang, Xie and Shen, Jimmy‐Xuan and Van de Walle, Chris G.},
abstractNote = {Abstract In recent years, there have been remarkable developments in halide perovskites, which are used in highly efficient optoelectronic devices and exhibit intriguing materials physics. Detailed knowledge of carrier recombination mechanisms is essential for understanding their excellent performance and to further increase their efficiency. Obtaining such knowledge is challenging however, and different studies have reached divergent conclusions in some cases. This progress report outlines the critical developments in understanding the carrier recombination mechanisms in halide perovskites from a computational perspective. The primary focus is radiative and Auger recombination, since they have not been systematically assessed and discussed before, and a number of important issues have been actively debated. This comprehensive discussion of the carrier recombination mechanisms is aimed at establishing physically justified insights that can form the basis for better materials and devices design.},
doi = {10.1002/aenm.201902830},
journal = {Advanced Energy Materials},
number = 13,
volume = 10,
place = {United States},
year = {Tue Nov 26 00:00:00 EST 2019},
month = {Tue Nov 26 00:00:00 EST 2019}
}
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Works referenced in this record:
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
Addressing Toxicity of Lead: Progress and Applications of Low-Toxic Metal Halide Perovskites and Their Derivatives
journal, March 2017
- Lyu, Miaoqiang; Yun, Jung-Ho; Chen, Peng
- Advanced Energy Materials, Vol. 7, Issue 15
Perovskite Solar Cells on the Way to Their Radiative Efficiency Limit - Insights Into a Success Story of High Open-Circuit Voltage and Low Recombination
journal, March 2017
- Tress, Wolfgang
- Advanced Energy Materials, Vol. 7, Issue 14
Perovskite light-emitting diodes based on solution-processed self-organized multiple quantum wells
journal, September 2016
- Wang, Nana; Cheng, Lu; Ge, Rui
- Nature Photonics, Vol. 10, Issue 11
Hybrid organic—inorganic perovskites: low-cost semiconductors with intriguing charge-transport properties
journal, January 2016
- Brenner, Thomas M.; Egger, David A.; Kronik, Leeor
- Nature Reviews Materials, Vol. 1, Issue 1
Interfacial Control Toward Efficient and Low-Voltage Perovskite Light-Emitting Diodes
journal, February 2015
- Wang, Jianpu; Wang, Nana; Jin, Yizheng
- Advanced Materials, Vol. 27, Issue 14
Maximally localized Wannier functions: Theory and applications
journal, October 2012
- Marzari, Nicola; Mostofi, Arash A.; Yates, Jonathan R.
- Reviews of Modern Physics, Vol. 84, Issue 4
Hybrid functionals based on a screened Coulomb potential
journal, May 2003
- Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
- The Journal of Chemical Physics, Vol. 118, Issue 18
Three-Dimensional Spin Texture in Hybrid Perovskites and Its Impact on Optical Transitions
journal, May 2018
- Zhang, Xie; Shen, Jimmy-Xuan; Van de Walle, Chris G.
- The Journal of Physical Chemistry Letters, Vol. 9, Issue 11
Large carrier-capture rate of antisite in induced by heavy atoms and soft phonon modes
journal, September 2017
- Li, Jiqiang; Zhu, Hai-Feng; Zhang, Yue-Yu
- Physical Review B, Vol. 96, Issue 10
Beyond the ABC: carrier recombination in semiconductor lasers
conference, February 2006
- Hader, J.; Moloney, J. V.; Koch, S. W.
- Integrated Optoelectronic Devices 2006, SPIE Proceedings
Iodide management in formamidinium-lead-halide–based perovskite layers for efficient solar cells
journal, June 2017
- Yang, Woon Seok; Park, Byung-Wook; Jung, Eui Hyuk
- Science, Vol. 356, Issue 6345
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009
- Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
- Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells
journal, May 2009
- Kojima, Akihiro; Teshima, Kenjiro; Shirai, Yasuo
- Journal of the American Chemical Society, Vol. 131, Issue 17, p. 6050-6051
High Tolerance to Iron Contamination in Lead Halide Perovskite Solar Cells
journal, July 2017
- Poindexter, Jeremy R.; Hoye, Robert L. Z.; Nienhaus, Lea
- ACS Nano, Vol. 11, Issue 7
Tunable ferroelectric polarization and its interplay with spin–orbit coupling in tin iodide perovskites
journal, December 2014
- Stroppa, Alessandro; Di Sante, Domenico; Barone, Paolo
- Nature Communications, Vol. 5, Issue 1
Switchable S = 1/2 and J = 1/2 Rashba bands in ferroelectric halide perovskites
journal, April 2014
- Kim, M.; Im, J.; Freeman, A. J.
- Proceedings of the National Academy of Sciences, Vol. 111, Issue 19
Bright Light-Emitting Diodes Based on Organometal Halide Perovskite Nanoplatelets
journal, November 2015
- Ling, Yichuan; Yuan, Zhao; Tian, Yu
- Advanced Materials, Vol. 28, Issue 2
High-performance photovoltaic perovskite layers fabricated through intramolecular exchange
journal, May 2015
- Yang, W. S.; Noh, J. H.; Jeon, N. J.
- Science, Vol. 348, Issue 6240
Identification of Trap States in Perovskite Solar Cells
journal, June 2015
- Baumann, Andreas; Väth, Stefan; Rieder, Philipp
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 12
Bimolecular recombination in methylammonium lead triiodide perovskite is an inverse absorption process
journal, January 2018
- Davies, Christopher L.; Filip, Marina R.; Patel, Jay B.
- Nature Communications, Vol. 9, Issue 1
Efficient luminescent solar cells based on tailored mixed-cation perovskites
journal, January 2016
- Bi, Dongqin; Tress, Wolfgang; Dar, M. Ibrahim
- Science Advances, Vol. 2, Issue 1
Overcoming the electroluminescence efficiency limitations of perovskite light-emitting diodes
journal, December 2015
- Cho, H.; Jeong, S. -H.; Park, M. -H.
- Science, Vol. 350, Issue 6265
Morphological Control for High Performance, Solution-Processed Planar Heterojunction Perovskite Solar Cells
journal, September 2013
- Eperon, Giles E.; Burlakov, Victor M.; Docampo, Pablo
- Advanced Functional Materials, Vol. 24, Issue 1, p. 151-157
Rashba Spin–Orbit Coupling Enhanced Carrier Lifetime in CH 3 NH 3 PbI 3
journal, November 2015
- Zheng, Fan; Tan, Liang Z.; Liu, Shi
- Nano Letters, Vol. 15, Issue 12
Origin of long lifetime of band-edge charge carriers in organic–inorganic lead iodide perovskites
journal, July 2017
- Chen, Tianran; Chen, Wei-Liang; Foley, Benjamin J.
- Proceedings of the National Academy of Sciences, Vol. 114, Issue 29
The Rashba effect and indirect electron–hole recombination in hybrid organic–inorganic perovskites
journal, January 2017
- Yu, Zhi-Gang
- Physical Chemistry Chemical Physics, Vol. 19, Issue 23
Model dielectric function for semiconductors
journal, April 1993
- Cappellini, G.; Del Sole, R.; Reining, Lucia
- Physical Review B, Vol. 47, Issue 15
Revealing the role of organic cations in hybrid halide perovskite CH3NH3PbI3
journal, April 2015
- Motta, Carlo; El-Mellouhi, Fedwa; Kais, Sabre
- Nature Communications, Vol. 6, Issue 1
Band Gap Tuning via Lattice Contraction and Octahedral Tilting in Perovskite Materials for Photovoltaics
journal, August 2017
- Prasanna, Rohit; Gold-Parker, Aryeh; Leijtens, Tomas
- Journal of the American Chemical Society, Vol. 139, Issue 32
Device stability of perovskite solar cells – A review
journal, September 2017
- Asghar, M. I.; Zhang, J.; Wang, H.
- Renewable and Sustainable Energy Reviews, Vol. 77
The ultimate efficiency of organolead halide perovskite solar cells limited by Auger processes
journal, June 2016
- Almansouri, Ibraheem; Green, Martin A.; Ho-Baillie, Anita
- Journal of Materials Research, Vol. 31, Issue 15
A Phase Transition in Cæsium Plumbochloride
journal, November 1957
- MØLler, Chr. Kn.
- Nature, Vol. 180, Issue 4593
Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells
journal, April 2014
- Frost, Jarvist M.; Butler, Keith T.; Brivio, Federico
- Nano Letters, Vol. 14, Issue 5
Progress, challenges and perspectives in flexible perovskite solar cells
journal, January 2016
- Di Giacomo, Francesco; Fakharuddin, Azhar; Jose, Rajan
- Energy & Environmental Science, Vol. 9, Issue 10
Efficient Visible Quasi-2D Perovskite Light-Emitting Diodes
journal, June 2016
- Byun, Jinwoo; Cho, Himchan; Wolf, Christoph
- Advanced Materials, Vol. 28, Issue 34
Electron–phonon coupling from finite differences
journal, February 2018
- Monserrat, Bartomeu
- Journal of Physics: Condensed Matter, Vol. 30, Issue 8
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
Understanding the physical properties of hybrid perovskites for photovoltaic applications
journal, July 2017
- Huang, Jinsong; Yuan, Yongbo; Shao, Yuchuan
- Nature Reviews Materials, Vol. 2, Issue 7
Research Update: Relativistic origin of slow electron-hole recombination in hybrid halide perovskite solar cells
journal, September 2016
- Azarhoosh, Pooya; McKechnie, Scott; Frost, Jarvist M.
- APL Materials, Vol. 4, Issue 9
Review of recent progress in chemical stability of perovskite solar cells
journal, December 2014
- Niu, Guangda; Guo, Xudong; Wang, Liduo
- Journal of Materials Chemistry A, Vol. 3, Issue 17, p. 8970-8980
Enhancing photoluminescence yields in lead halide perovskites by photon recycling and light out-coupling
journal, December 2016
- Richter, Johannes M.; Abdi-Jalebi, Mojtaba; Sadhanala, Aditya
- Nature Communications, Vol. 7, Issue 1
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
Strain induced electronic structure variation in methyl-ammonium lead iodide perovskite
journal, May 2018
- Zhang, Le; Geng, Wei; Tong, Chuan-jia
- Scientific Reports, Vol. 8, Issue 1
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Toxicity of organometal halide perovskite solar cells
journal, February 2016
- Babayigit, Aslihan; Ethirajan, Anitha; Muller, Marc
- Nature Materials, Vol. 15, Issue 3
Progress in Theoretical Study of Metal Halide Perovskite Solar Cell Materials
journal, August 2017
- Xiao, Zewen; Yan, Yanfa
- Advanced Energy Materials, Vol. 7, Issue 22
Inversion symmetry and bulk Rashba effect in methylammonium lead iodide perovskite single crystals
journal, May 2018
- Frohna, Kyle; Deshpande, Tejas; Harter, John
- Nature Communications, Vol. 9, Issue 1
Perovskite energy funnels for efficient light-emitting diodes
journal, June 2016
- Yuan, Mingjian; Quan, Li Na; Comin, Riccardo
- Nature Nanotechnology, Vol. 11, Issue 10
Charge-Carrier Dynamics in Organic-Inorganic Metal Halide Perovskites
journal, May 2016
- Herz, Laura M.
- Annual Review of Physical Chemistry, Vol. 67, Issue 1
Photophysics of Organic-Inorganic Hybrid Lead Iodide Perovskite Single Crystals
journal, February 2015
- Fang, Hong-Hua; Raissa, Raissa; Abdu-Aguye, Mustapha
- Advanced Functional Materials, Vol. 25, Issue 16
Room-Temperature Near-Infrared High-Q Perovskite Whispering-Gallery Planar Nanolasers
journal, September 2014
- Zhang, Qing; Ha, Son Tung; Liu, Xinfeng
- Nano Letters, Vol. 14, Issue 10
Hybrid Perovskites for Photovoltaics: Charge-Carrier Recombination, Diffusion, and Radiative Efficiencies
journal, December 2015
- Johnston, Michael B.; Herz, Laura M.
- Accounts of Chemical Research, Vol. 49, Issue 1
Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications
journal, January 2013
- Baikie, Tom; Fang, Yanan; Kadro, Jeannette M.
- Journal of Materials Chemistry A, Vol. 1, Issue 18
Slow recombination unveiled
journal, December 2016
- Moser, Jacques-E.
- Nature Materials, Vol. 16, Issue 1
First-principles theory of nonradiative carrier capture via multiphonon emission
journal, August 2014
- Alkauskas, Audrius; Yan, Qimin; Van de Walle, Chris G.
- Physical Review B, Vol. 90, Issue 7
Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites
journal, October 2012
- Lee, M. M.; Teuscher, J.; Miyasaka, T.
- Science, Vol. 338, Issue 6107, p. 643-647
Is Auger recombination responsible for the efficiency rollover in III-nitride light-emitting diodes?
journal, May 2008
- Bulashevich, K. A.; Karpov, S. Yu.
- physica status solidi (c), Vol. 5, Issue 6
Effects of strain on the band structure of group-III nitrides
journal, September 2014
- Yan, Qimin; Rinke, Patrick; Janotti, Anderson
- Physical Review B, Vol. 90, Issue 12
Photon recycling in lead iodide perovskite solar cells
journal, March 2016
- Pazos-Outon, L. M.; Szumilo, M.; Lamboll, R.
- Science, Vol. 351, Issue 6280
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
Decreasing Radiative Recombination Coefficients via an Indirect Band Gap in Lead Halide Perovskites
journal, March 2017
- Kirchartz, Thomas; Rau, Uwe
- The Journal of Physical Chemistry Letters, Vol. 8, Issue 6
Photon Reabsorption Masks Intrinsic Bimolecular Charge-Carrier Recombination in CH 3 NH 3 PbI 3 Perovskite
journal, August 2017
- Crothers, Timothy W.; Milot, Rebecca L.; Patel, Jay B.
- Nano Letters, Vol. 17, Issue 9
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
Deep level trapped defect analysis in CH 3 NH 3 PbI 3 perovskite solar cells by deep level transient spectroscopy
journal, January 2017
- Heo, Sung; Seo, Gabseok; Lee, Yonghui
- Energy & Environmental Science, Vol. 10, Issue 5
Giant Rashba Splitting in Organic-Inorganic Perovskite
journal, September 2016
- Niesner, Daniel; Wilhelm, Max; Levchuk, Ievgen
- Physical Review Letters, Vol. 117, Issue 12
Ferroelectric Polarization of CH 3 NH 3 PbI 3 : A Detailed Study Based on Density Functional Theory and Symmetry Mode Analysis
journal, June 2015
- Stroppa, Alessandro; Quarti, Claudio; De Angelis, Filippo
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 12
Analytic model for the efficiency droop in semiconductors with asymmetric carrier-transport properties based on drift-induced reduction of injection efficiency
journal, April 2012
- Lin, Guan-Bo; Meyaard, David; Cho, Jaehee
- Applied Physics Letters, Vol. 100, Issue 16
Chemical stability and instability of inorganic halide perovskites
journal, January 2019
- Zhou, Yuanyuan; Zhao, Yixin
- Energy & Environmental Science, Vol. 12, Issue 5
Accurate First-Principles Detailed-Balance Determination of Auger Recombination and Impact Ionization Rates in Semiconductors
journal, October 2002
- Picozzi, S.; Asahi, R.; Geller, C. B.
- Physical Review Letters, Vol. 89, Issue 19
Ab initio Calculations of Deep-Level Carrier Nonradiative Recombination Rates in Bulk Semiconductors
journal, December 2012
- Shi, Lin; Wang, Lin-Wang
- Physical Review Letters, Vol. 109, Issue 24
First-Principles Modeling of Defects in Lead Halide Perovskites: Best Practices and Open Issues
journal, August 2018
- Meggiolaro, Daniele; De Angelis, Filippo
- ACS Energy Letters, Vol. 3, Issue 9
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
First-Principles Analysis of Radiative Recombination in Lead-Halide Perovskites
journal, September 2018
- Zhang, Xie; Shen, Jimmy-Xuan; Wang, Wennie
- ACS Energy Letters, Vol. 3, Issue 10
Efficiency droop in nitride-based light-emitting diodes
journal, July 2010
- Piprek, Joachim
- physica status solidi (a), Vol. 207, Issue 10, p. 2217-2225
Multicolored Organic/Inorganic Hybrid Perovskite Light-Emitting Diodes
journal, November 2014
- Kim, Young-Hoon; Cho, Himchan; Heo, Jin Hyuck
- Advanced Materials, Vol. 27, Issue 7
First-principles study of high-field-related electronic behavior of group-III nitrides
journal, September 2014
- Yan, Qimin; Kioupakis, Emmanouil; Jena, Debdeep
- Physical Review B, Vol. 90, Issue 12
Efficient perovskite light-emitting diodes featuring nanometre-sized crystallites
journal, January 2017
- Xiao, Zhengguo; Kerner, Ross A.; Zhao, Lianfeng
- Nature Photonics, Vol. 11, Issue 2
Direct Bandgap Behavior in Rashba-Type Metal Halide Perovskites
journal, October 2018
- Richter, Johannes M.; Chen, Kai; Sadhanala, Aditya
- Advanced Materials, Vol. 30, Issue 52
Charge-Carrier Recombination in Halide Perovskites: Focus Review
journal, September 2019
- deQuilettes, Dane W.; Frohna, Kyle; Emin, David
- Chemical Reviews, Vol. 119, Issue 20
Large electrostrictive response in lead halide perovskites
journal, September 2018
- Chen, Bo; Li, Tao; Dong, Qingfeng
- Nature Materials, Vol. 17, Issue 11
Microscopic theory of intervalley scattering in GaAs: k dependence of deformation potentials and scattering rates
journal, August 1990
- Zollner, Stefan; Gopalan, Sudha; Cardona, Manuel
- Journal of Applied Physics, Vol. 68, Issue 4
Density Functional Calculations of Native Defects in CH 3 NH 3 PbI 3 : Effects of Spin–Orbit Coupling and Self-Interaction Error
journal, April 2015
- Du, Mao-Hua
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 8
Ferroelectric Domain Wall Induced Band Gap Reduction and Charge Separation in Organometal Halide Perovskites
journal, February 2015
- Liu, Shi; Zheng, Fan; Koocher, Nathan Z.
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 4
Direct Observation of Ferroelectric Domains in Solution-Processed CH 3 NH 3 PbI 3 Perovskite Thin Films
journal, September 2014
- Kutes, Yasemin; Ye, Linghan; Zhou, Yuanyuan
- The Journal of Physical Chemistry Letters, Vol. 5, Issue 19
Bright light-emitting diodes based on organometal halide perovskite
journal, August 2014
- Tan, Zhi-Kuang; Moghaddam, Reza Saberi; Lai, May Ling
- Nature Nanotechnology, Vol. 9, Issue 9
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
Highly Efficient Perovskite-Quantum-Dot Light-Emitting Diodes by Surface Engineering
journal, August 2016
- Pan, Jun; Quan, Li Na; Zhao, Yongbiao
- Advanced Materials, Vol. 28, Issue 39
Screening in crystalline liquids protects energetic carriers in hybrid perovskites
journal, September 2016
- Zhu, H.; Miyata, K.; Fu, Y.
- Science, Vol. 353, Issue 6306
Elucidating the role of disorder and free-carrier recombination kinetics in CH3NH3PbI3 perovskite films
journal, July 2015
- La-o-vorakiat, Chan; Salim, Teddy; Kadro, Jeannette
- Nature Communications, Vol. 6, Issue 1
Interplay of Orientational Order and Electronic Structure in Methylammonium Lead Iodide: Implications for Solar Cell Operation
journal, November 2014
- Quarti, Claudio; Mosconi, Edoardo; De Angelis, Filippo
- Chemistry of Materials, Vol. 26, Issue 22
Crystal Structure and Photoconductivity of Cæsium Plumbohalides
journal, November 1958
- MØLler, Chr. Kn.
- Nature, Vol. 182, Issue 4647
Organometal halide perovskite solar cells: degradation and stability
journal, January 2016
- Berhe, Taame Abraha; Su, Wei-Nien; Chen, Ching-Hsiang
- Energy & Environmental Science, Vol. 9, Issue 2
First-principles calculations of indirect Auger recombination in nitride semiconductors
journal, July 2015
- Kioupakis, Emmanouil; Steiauf, Daniel; Rinke, Patrick
- Physical Review B, Vol. 92, Issue 3
All-inorganic perovskite nanocrystal scintillators
journal, August 2018
- Chen, Qiushui; Wu, Jing; Ou, Xiangyu
- Nature, Vol. 561, Issue 7721
Materials Processing Routes to Trap-Free Halide Perovskites
journal, October 2014
- Buin, Andrei; Pietsch, Patrick; Xu, Jixian
- Nano Letters, Vol. 14, Issue 11
Spin-Orbit Coupling Effects in Zinc Blende Structures
journal, October 1955
- Dresselhaus, G.
- Physical Review, Vol. 100, Issue 2
Lead Iodide Perovskite Sensitized All-Solid-State Submicron Thin Film Mesoscopic Solar Cell with Efficiency Exceeding 9%
journal, August 2012
- Kim, Hui-Seon; Lee, Chang-Ryul; Im, Jeong-Hyeok
- Scientific Reports, Vol. 2, Issue 1
Direct–indirect character of the bandgap in methylammonium lead iodide perovskite
journal, October 2016
- Hutter, Eline M.; Gélvez-Rueda, María C.; Osherov, Anna
- Nature Materials, Vol. 16, Issue 1
Circular photogalvanic effect in organometal halide perovskite CH 3 NH 3 PbI 3
journal, November 2016
- Li, Junwen; Haney, Paul M.
- Applied Physics Letters, Vol. 109, Issue 19
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
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
Mechanism of Pressure-Induced Phase Transitions, Amorphization, and Absorption-Edge Shift in Photovoltaic Methylammonium Lead Iodide
journal, August 2016
- Szafrański, Marek; Katrusiak, Andrzej
- The Journal of Physical Chemistry Letters, Vol. 7, Issue 17
Ultra-bright and highly efficient inorganic based perovskite light-emitting diodes
journal, June 2017
- Zhang, Liuqi; Yang, Xiaolei; Jiang, Qi
- Nature Communications, Vol. 8, Issue 1
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
A molecularly engineered hole-transporting material for efficient perovskite solar cells
journal, January 2016
- Saliba, Michael; Orlandi, Simonetta; Matsui, Taisuke
- Nature Energy, Vol. 1, Issue 2
Unexpectedly Strong Auger Recombination in Halide Perovskites
journal, September 2018
- Shen, Jimmy-Xuan; Zhang, Xie; Das, Suvadip
- Advanced Energy Materials, Vol. 8, Issue 30
Water photolysis at 12.3% efficiency via perovskite photovoltaics and Earth-abundant catalysts
journal, September 2014
- Luo, J.; Im, J. -H.; Mayer, M. T.
- Science, Vol. 345, Issue 6204
Quantum Dot Light-Emitting Diodes Based on Inorganic Perovskite Cesium Lead Halides (CsPbX 3 )
journal, October 2015
- Song, Jizhong; Li, Jianhai; Li, Xiaoming
- Advanced Materials, Vol. 27, Issue 44
Optical spintronics in organic-inorganic perovskite photovoltaics
journal, April 2016
- Li, Junwen; Haney, Paul M.
- Physical Review B, Vol. 93, Issue 15
Temperature and carrier-density dependence of Auger and radiative recombination in nitride optoelectronic devices
journal, December 2013
- Kioupakis, Emmanouil; Yan, Qimin; Steiauf, Daniel
- New Journal of Physics, Vol. 15, Issue 12
Cesium-containing triple cation perovskite solar cells: improved stability, reproducibility and high efficiency
journal, January 2016
- Saliba, Michael; Matsui, Taisuke; Seo, Ji-Youn
- Energy & Environmental Science, Vol. 9, Issue 6
Linear optical properties in the projector-augmented wave methodology
journal, January 2006
- Gajdoš, M.; Hummer, K.; Kresse, G.
- Physical Review B, Vol. 73, Issue 4
Quadratic Elongation: A Quantitative Measure of Distortion in Coordination Polyhedra
journal, May 1971
- Robinson, K.; Gibbs, G. V.; Ribbe, P. H.
- Science, Vol. 172, Issue 3983
Making and Breaking of Lead Halide Perovskites
journal, January 2016
- Manser, Joseph S.; Saidaminov, Makhsud I.; Christians, Jeffrey A.
- Accounts of Chemical Research, Vol. 49, Issue 2
Dynamical Origin of the Rashba Effect in Organohalide Lead Perovskites: A Key to Suppressed Carrier Recombination in Perovskite Solar Cells?
journal, April 2016
- Etienne, Thibaud; Mosconi, Edoardo; De Angelis, Filippo
- The Journal of Physical Chemistry Letters, Vol. 7, Issue 9
Radiative Recombination and Photoconversion of Methylammonium Lead Iodide Perovskite by First Principles: Properties of an Inorganic Semiconductor within a Hybrid Body
journal, October 2014
- Filippetti, Alessio; Delugas, Pietro; Mattoni, Alessandro
- The Journal of Physical Chemistry C, Vol. 118, Issue 43
Indirect Auger recombination as a cause of efficiency droop in nitride light-emitting diodes
journal, April 2011
- Kioupakis, Emmanouil; Rinke, Patrick; Delaney, Kris T.
- Applied Physics Letters, Vol. 98, Issue 16
Barrier to recombination of oppositely charged large polarons
journal, February 2018
- Emin, David
- Journal of Applied Physics, Vol. 123, Issue 5
Transport, Optical, and Magnetic Properties of the Conducting Halide Perovskite CH3NH3SnI3
journal, January 1995
- Mitzi, D. B.; Feild, C. A.; Schlesinger, Z.
- Journal of Solid State Chemistry, Vol. 114, Issue 1, p. 159-163
Mechanism suppressing charge recombination at iodine defects in CH 3 NH 3 PbI 3 by polaron formation
journal, January 2018
- Wiktor, Julia; Ambrosio, Francesco; Pasquarello, Alfredo
- Journal of Materials Chemistry A, Vol. 6, Issue 35
Hot carrier cooling mechanisms in halide perovskites
journal, November 2017
- Fu, Jianhui; Xu, Qiang; Han, Guifang
- Nature Communications, Vol. 8, Issue 1
Stability of Metal Halide Perovskite Solar Cells
journal, September 2015
- Leijtens, Tomas; Eperon, Giles E.; Noel, Nakita K.
- Advanced Energy Materials, Vol. 5, Issue 20
New perspectives for Rashba spin–orbit coupling
journal, August 2015
- Manchon, A.; Koo, H. C.; Nitta, J.
- Nature Materials, Vol. 14, Issue 9
Strain engineering in perovskite solar cells and its impacts on carrier dynamics
journal, February 2019
- Zhu, Cheng; Niu, Xiuxiu; Fu, Yuhao
- Nature Communications, Vol. 10, Issue 1