Comprehensive Computational Study of Partial Lead Substitution in Methylammonium Lead Bromide
Abstract
Impurities in semiconductors, for example, lead-based hybrid perovskites, have a major influence on their performance as photovoltaic (PV) light absorbers. While impurities could create harmful trap states that lead to nonradiative recombination of charge carriers and adversely affect PV efficiency, they could also potentially increase absorption via midgap energy levels that act as stepping stones for subgap photons or introduce charge carriers via doping. To unearth trends in impurity energy states, we use first principles density functional theory calculations to extensively study partial substitution of Pb in methylammonium lead bromide (MAPbBr3), a representative lead-halide perovskite. Investigation of the density of states and energy levels related to the transition of the substitutional defect from one charge state to another reveals that several elements create midgap energy states in MAPbBr3. We machine learned trends and design rules from the computational data and discovered that a few easily computed properties of the bromide compounds of any element can be used to predict the energetics and energy levels of the substitutional defect related to that element. The calculated Fermi level-dependent defect formation energies lead to the observation that substitution by transition metals, Zr, Hf, Nb, and Sc, and group V element Sb can shiftmore »
- Authors:
-
- Argonne National Lab. (ANL), Argonne, IL (United States). Center for Nanoscale Materials
- Imperial College London, London (United Kingdom)
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Publication Date:
- Research Org.:
- Argonne National Laboratory (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1542595
- Grant/Contract Number:
- AC02-06CH11357; AC02-05CH11231
- Resource Type:
- Journal Article: Accepted Manuscript
- Journal Name:
- Chemistry of Materials
- Additional Journal Information:
- Journal Volume: 31; Journal Issue: 10; Journal ID: ISSN 0897-4756
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Mannodi-Kanakkithodi, Arun, Park, Ji-Sang, Jeon, Nari, Cao, Duyen H., Gosztola, David J., Martinson, Alex B. F., and Chan, Maria K. Y. Comprehensive Computational Study of Partial Lead Substitution in Methylammonium Lead Bromide. United States: N. p., 2019.
Web. doi:10.1021/acs.chemmater.8b04017.
Mannodi-Kanakkithodi, Arun, Park, Ji-Sang, Jeon, Nari, Cao, Duyen H., Gosztola, David J., Martinson, Alex B. F., & Chan, Maria K. Y. Comprehensive Computational Study of Partial Lead Substitution in Methylammonium Lead Bromide. United States. https://doi.org/10.1021/acs.chemmater.8b04017
Mannodi-Kanakkithodi, Arun, Park, Ji-Sang, Jeon, Nari, Cao, Duyen H., Gosztola, David J., Martinson, Alex B. F., and Chan, Maria K. Y. 2019.
"Comprehensive Computational Study of Partial Lead Substitution in Methylammonium Lead Bromide". United States. https://doi.org/10.1021/acs.chemmater.8b04017. https://www.osti.gov/servlets/purl/1542595.
@article{osti_1542595,
title = {Comprehensive Computational Study of Partial Lead Substitution in Methylammonium Lead Bromide},
author = {Mannodi-Kanakkithodi, Arun and Park, Ji-Sang and Jeon, Nari and Cao, Duyen H. and Gosztola, David J. and Martinson, Alex B. F. and Chan, Maria K. Y.},
abstractNote = {Impurities in semiconductors, for example, lead-based hybrid perovskites, have a major influence on their performance as photovoltaic (PV) light absorbers. While impurities could create harmful trap states that lead to nonradiative recombination of charge carriers and adversely affect PV efficiency, they could also potentially increase absorption via midgap energy levels that act as stepping stones for subgap photons or introduce charge carriers via doping. To unearth trends in impurity energy states, we use first principles density functional theory calculations to extensively study partial substitution of Pb in methylammonium lead bromide (MAPbBr3), a representative lead-halide perovskite. Investigation of the density of states and energy levels related to the transition of the substitutional defect from one charge state to another reveals that several elements create midgap energy states in MAPbBr3. We machine learned trends and design rules from the computational data and discovered that a few easily computed properties of the bromide compounds of any element can be used to predict the energetics and energy levels of the substitutional defect related to that element. The calculated Fermi level-dependent defect formation energies lead to the observation that substitution by transition metals, Zr, Hf, Nb, and Sc, and group V element Sb can shift the equilibrium Fermi level and change the perovskite conductivity, as determined by the dominant intrinsic point defects. Finally, metal-substituted MAPbBr3 compounds of Bi, Sc, Ni, and Zr were experimentally investigated, and while there was an improvement in the thin-film morphology and an enhancement in charge carrier lifetimes, no clear evidence of subgap absorption features owing to the substituent being incorporated in the MAPbBr3 lattice could be seen.},
doi = {10.1021/acs.chemmater.8b04017},
url = {https://www.osti.gov/biblio/1542595},
journal = {Chemistry of Materials},
issn = {0897-4756},
number = 10,
volume = 31,
place = {United States},
year = {Tue Mar 19 00:00:00 EDT 2019},
month = {Tue Mar 19 00:00:00 EDT 2019}
}
Web of Science
Works referenced in this record:
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
6.5% efficient perovskite quantum-dot-sensitized solar cell
journal, January 2011
- Im, Jeong-Hyeok; Lee, Chang-Ryul; Lee, Jin-Wook
- Nanoscale, Vol. 3, Issue 10, p. 4088-4093
Toward Lead-Free Perovskite Solar Cells
journal, November 2016
- Giustino, Feliciano; Snaith, Henry J.
- ACS Energy Letters, Vol. 1, Issue 6
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
Sequential deposition as a route to high-performance perovskite-sensitized solar cells
journal, July 2013
- Burschka, Julian; Pellet, Norman; Moon, Soo-Jin
- Nature, Vol. 499, Issue 7458, p. 316-319
Recent theoretical progress in the development of perovskite photovoltaic materials
journal, May 2018
- Zhou, Xin; Jankowska, Joanna; Dong, Hao
- Journal of Energy Chemistry, Vol. 27, Issue 3
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
Metal halide perovskite: a game-changer for photovoltaics and solar devices via a tandem design
journal, January 2018
- Shen, Heping; Duong, The; Wu, Yiliang
- Science and Technology of Advanced Materials, Vol. 19, Issue 1
Lead-free solid-state organic–inorganic halide perovskite solar cells
journal, May 2014
- Hao, Feng; Stoumpos, Constantinos C.; Cao, Duyen Hanh
- Nature Photonics, Vol. 8, Issue 6
Intriguing Optoelectronic Properties of Metal Halide Perovskites
journal, June 2016
- Manser, Joseph S.; Christians, Jeffrey A.; Kamat, Prashant V.
- Chemical Reviews, Vol. 116, Issue 21
Formamidinium lead trihalide: a broadly tunable perovskite for efficient planar heterojunction solar cells
journal, January 2014
- Eperon, Giles E.; Stranks, Samuel D.; Menelaou, Christopher
- Energy & Environmental Science, Vol. 7, Issue 3
First-Principles Screening of Lead-Free Methylammonium Metal Iodine Perovskites for Photovoltaic Application
journal, October 2017
- Jiang, Lei; Wu, Tao; Sun, Lei
- The Journal of Physical Chemistry C, Vol. 121, Issue 44
Effect of non-stoichiometric solution chemistry on improving the performance of wide-bandgap perovskite solar cells
journal, March 2018
- Yang, Mengjin; Kim, Dong Hoe; Yu, Yue
- Materials Today Energy, Vol. 7
Discovery of Pb-Free Perovskite Solar Cells via High-Throughput Simulation on the K Computer
journal, September 2017
- Nakajima, Takahito; Sawada, Keisuke
- The Journal of Physical Chemistry Letters, Vol. 8, Issue 19
Advances and challenges to the commercialization of organic–inorganic halide perovskite solar cell technology
journal, March 2018
- Qiu, Longbin; Ono, Luis K.; Qi, Yabing
- Materials Today Energy, Vol. 7
A hybrid organic-inorganic perovskite dataset
journal, May 2017
- Kim, Chiho; Huan, Tran Doan; Krishnan, Sridevi
- Scientific Data, Vol. 4, Issue 1
Superior Photovoltaic Properties of Lead Halide Perovskites: Insights from First-Principles Theory
journal, February 2015
- Yin, Wan-Jian; Shi, Tingting; Yan, Yanfa
- The Journal of Physical Chemistry C, Vol. 119, Issue 10
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
Elucidating the Methylammonium (MA) Conformation in MAPbBr 3 Perovskite with Application in Solar Cells
journal, November 2017
- López, Carlos A.; Martínez-Huerta, María Victoria; Alvarez-Galván, María Consuelo
- Inorganic Chemistry, Vol. 56, Issue 22
Interplay between Localized and Free Charge Carriers Can Explain Hot Fluorescence in the CH 3 NH 3 PbBr 3 Perovskite: Time-Domain Ab Initio Analysis
journal, November 2017
- Zhang, Zhaosheng; Long, Run; Tokina, Marina V.
- Journal of the American Chemical Society, Vol. 139, Issue 48
Perspective: Theory and simulation of hybrid halide perovskites
journal, June 2017
- Whalley, Lucy D.; Frost, Jarvist M.; Jung, Young-Kwang
- The Journal of Chemical Physics, Vol. 146, Issue 22
What Remains Unexplained about the Properties of Halide Perovskites?
journal, March 2018
- Egger, David A.; Bera, Achintya; Cahen, David
- Advanced Materials, Vol. 30, Issue 20
A brief review on the lead element substitution in perovskite solar cells
journal, July 2018
- Liu, Chong; Li, Wenzhe; Fan, Jiandong
- Journal of Energy Chemistry, Vol. 27, Issue 4
Cation engineering on lead iodide perovskites for stable and high-performance photovoltaic applications
journal, July 2018
- Gong, Jue; Guo, Peijun; Benjamin, Savannah E.
- Journal of Energy Chemistry, Vol. 27, Issue 4
Effect of doping of NaI monovalent cation halide on the structural, morphological, optical and optoelectronic properties of MAPbI3 perovskite
journal, September 2017
- Yang, Ying; Zou, Xiaoping; Pei, Yaxian
- Journal of Materials Science: Materials in Electronics, Vol. 29, Issue 1
Effect of Rubidium Incorporation on the Structural, Electrical, and Photovoltaic Properties of Methylammonium Lead Iodide-Based Perovskite Solar Cells
journal, November 2017
- Park, Ik Jae; Seo, Seongrok; Park, Min Ah
- ACS Applied Materials & Interfaces, Vol. 9, Issue 48
First-principles calculation study of electronic structures and magnetic properties of Mn-doped perovskite crystals for solar cell applications
journal, December 2017
- Suzuki, Atsushi; Oku, Takeo
- Japanese Journal of Applied Physics, Vol. 57, Issue 2S2
Heterovalent B-Site Co-Alloying Approach for Halide Perovskite Bandgap Engineering
journal, September 2017
- Du, Ke-zhao; Wang, Xiaoming; Han, Qiwei
- ACS Energy Letters, Vol. 2, Issue 10
Hysteresis-free perovskite solar cells made of potassium-doped organometal halide perovskite
journal, September 2017
- Tang, Zeguo; Bessho, Takeru; Awai, Fumiyasu
- Scientific Reports, Vol. 7, Issue 1
Improved efficiency of perovskite photovoltaics based on Ca-doped methylammonium lead halide
journal, November 2017
- Wu, Ming-Chung; Lin, Tzu-Hao; Chan, Shun-Hsiang
- Journal of the Taiwan Institute of Chemical Engineers, Vol. 80
Author Correction: Influence of chromium hyperdoping on the electronic structure of CH3NH3PbI3 perovskite: a first-principles insight
journal, May 2018
- García, Gregorio; Palacios, Pablo; Menéndez-Proupin, Eduardo
- Scientific Reports, Vol. 8, Issue 1
Organic Cation Substitution in Hybrid Perovskite CH 3 NH 3 PbI 3 with Hydroxylammonium (NH 3 OH + ): A First-Principles Study
journal, February 2018
- Becker, Markus; Wark, Michael
- The Journal of Physical Chemistry C, Vol. 122, Issue 6
Heterovalent Dopant Incorporation for Bandgap and Type Engineering of Perovskite Crystals
journal, January 2016
- Abdelhady, Ahmed L.; Saidaminov, Makhsud I.; Murali, Banavoth
- The Journal of Physical Chemistry Letters, Vol. 7, Issue 2
High Efficiency Pb-In Binary Metal Perovskite Solar Cells
journal, May 2016
- Wang, Zhao-Kui; Li, Meng; Yang, Ying-Guo
- Advanced Materials, Vol. 28, Issue 31
Anomalous Band Gap Behavior in Mixed Sn and Pb Perovskites Enables Broadening of Absorption Spectrum in Solar Cells
journal, May 2014
- Hao, Feng; Stoumpos, Constantinos C.; Chang, Robert P. H.
- Journal of the American Chemical Society, Vol. 136, Issue 22
Binary-Metal Perovskites Toward High-Performance Planar-Heterojunction Hybrid Solar Cells
journal, August 2014
- Zuo, Fan; Williams, Spencer T.; Liang, Po-Wei
- Advanced Materials, Vol. 26, Issue 37
The Potential of Multijunction Perovskite Solar Cells
journal, October 2017
- Hörantner, Maximilian T.; Leijtens, Tomas; Ziffer, Mark E.
- ACS Energy Letters, Vol. 2, Issue 10
Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys
journal, December 2015
- Li, Zhen; Yang, Mengjin; Park, Ji-Sang
- Chemistry of Materials, Vol. 28, Issue 1
Understanding intermediate-band solar cells
journal, February 2012
- Luque, Antonio; Martí, Antonio; Stanley, Colin
- Nature Photonics, Vol. 6, Issue 3
Understanding Ti intermediate-band formation in partially inverse thiospinel MgIn S through many-body approaches
journal, September 2011
- Aguilera, I.; Palacios, Pablo; Wahnón, P.
- Physical Review B, Vol. 84, Issue 11
Partially filled intermediate band of Cr-doped GaN films
journal, May 2012
- Sonoda, S.
- Applied Physics Letters, Vol. 100, Issue 20
Observation of an Intermediate Band in Sn-doped Chalcopyrites with Wide-spectrum Solar Response
journal, February 2013
- Yang, Chongyin; Qin, Mingsheng; Wang, Yaoming
- Scientific Reports, Vol. 3, Issue 1
Methodology for vetting heavily doped semiconductors for intermediate band photovoltaics: A case study in sulfur-hyperdoped silicon
journal, September 2013
- Sullivan, J. T.; Simmons, C. B.; Krich, J. J.
- Journal of Applied Physics, Vol. 114, Issue 10
Limiting efficiency of an intermediate band solar cell under a terrestrial spectrum
journal, April 2008
- Bremner, Stephen P.; Levy, Michael Y.; Honsberg, Christiana B.
- Applied Physics Letters, Vol. 92, Issue 17
Intermediate-band photovoltaic solar cell based on ZnTe:O
journal, July 2009
- Wang, Weiming; Lin, Albert S.; Phillips, Jamie D.
- Applied Physics Letters, Vol. 95, Issue 1
Electronic and magnetic properties of ZnS doped with Cr
journal, November 2006
- Tablero, C.
- Physical Review B, Vol. 74, Issue 19
A first-principle study of the electronic, mechanical and optical properties of inorganic perovskite Cs2SnI6 for intermediate-band solar cells
journal, May 2018
- Rasukkannu, Murugesan; Velauthapillai, Dhayalan; Vajeeston, Ponniah
- Materials Letters, Vol. 218
Intermediate band solar cells: Recent progress and future directions
journal, June 2015
- Okada, Y.; Ekins-Daukes, N. J.; Kita, T.
- Applied Physics Reviews, Vol. 2, Issue 2
Defects in Semiconductors: Some Fatal, Some Vital
journal, August 1998
- Queisser, H. J.
- Science, Vol. 281, Issue 5379
Laplace current deep level transient spectroscopy measurements of defect states in methylammonium lead bromide single crystals
journal, October 2017
- Rosenberg, John W.; Legodi, Matshisa J.; Rakita, Yevgeny
- Journal of Applied Physics, Vol. 122, Issue 14
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
Unipolar self-doping behavior in perovskite CH 3 NH 3 PbBr 3
journal, March 2015
- Shi, Tingting; Yin, Wan-Jian; Hong, Feng
- Applied Physics Letters, Vol. 106, Issue 10
Point defect engineering in thin-film solar cells
journal, June 2018
- Park, Ji Sang; Kim, Sunghyun; Xie, Zijuan
- Nature Reviews Materials, Vol. 3, Issue 7
Electronic Structure and Optical Properties of α-CH 3 NH 3 PbBr 3 Perovskite Single Crystal
journal, October 2015
- Park, Ji-Sang; Choi, Sukgeun; Yan, Yong
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 21
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
journal, July 2013
- Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy
- APL Materials, Vol. 1, Issue 1
The Preparation and Reactions of Some Tungsten(II) and Tungsten (IV) Halides
journal, September 1964
- McCarley, R. E.; Brown, T. M.
- Inorganic Chemistry, Vol. 3, Issue 9
Electrical properties of organic–inorganic hybrid tin bromide cubic perovskites: hole-doping and iodide substitution effects
journal, January 2016
- Hasegawa, Hiroyuki; Inabe, Tamotsu
- New Journal of Chemistry, Vol. 40, Issue 8
First-Principles Hybrid Functional Study of the Organic–Inorganic Perovskites CH 3 NH 3 SnBr 3 and CH 3 NH 3 SnI 3
journal, October 2014
- Bernal, Camille; Yang, Kesong
- The Journal of Physical Chemistry C, Vol. 118, Issue 42
Mechanism of Tin Oxidation and Stabilization by Lead Substitution in Tin Halide Perovskites
journal, August 2017
- Leijtens, Tomas; Prasanna, Rohit; Gold-Parker, Aryeh
- ACS Energy Letters, Vol. 2, Issue 9
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
A general-purpose machine learning framework for predicting properties of inorganic materials
journal, August 2016
- Ward, Logan; Agrawal, Ankit; Choudhary, Alok
- npj Computational Materials, Vol. 2, Issue 1
Machine Learning Strategy for Accelerated Design of Polymer Dielectrics
journal, February 2016
- Mannodi-Kanakkithodi, Arun; Pilania, Ghanshyam; Huan, Tran Doan
- Scientific Reports, Vol. 6, Issue 1
Machine Learning in Materials Science
book, January 2016
- Mueller, Tim; Kusne, Aaron Gilad; Ramprasad, Rampi
- Reviews in Computational Chemistry, Vol. 29
Machine learning in materials informatics: recent applications and prospects
journal, December 2017
- Ramprasad, Rampi; Batra, Rohit; Pilania, Ghanshyam
- npj Computational Materials, Vol. 3, Issue 1
High-Throughput Machine-Learning-Driven Synthesis of Full-Heusler Compounds
journal, October 2016
- Oliynyk, Anton O.; Antono, Erin; Sparks, Taylor D.
- Chemistry of Materials, Vol. 28, Issue 20
Machine learning bandgaps of double perovskites
journal, January 2016
- Pilania, G.; Mannodi-Kanakkithodi, A.; Uberuaga, B. P.
- Scientific Reports, Vol. 6, Issue 1
High-Throughput Computational Screening of Perovskites for Thermochemical Water Splitting Applications
journal, July 2016
- Emery, Antoine A.; Saal, James E.; Kirklin, Scott
- Chemistry of Materials, Vol. 28, Issue 16
Rational Co-Design of Polymer Dielectrics for Energy Storage
journal, May 2016
- Mannodi-Kanakkithodi, Arun; Treich, Gregory M.; Huan, Tran Doan
- Advanced Materials, Vol. 28, Issue 30
Accelerated search for materials with targeted properties by adaptive design
journal, April 2016
- Xue, Dezhen; Balachandran, Prasanna V.; Hogden, John
- Nature Communications, Vol. 7, Issue 1
Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning
journal, December 2016
- Medasani, Bharat; Gamst, Anthony; Ding, Hong
- npj Computational Materials, Vol. 2, Issue 1
From Organized High-Throughput Data to Phenomenological Theory using Machine Learning: The Example of Dielectric Breakdown
journal, February 2016
- Kim, Chiho; Pilania, Ghanshyam; Ramprasad, Ramamurthy
- Chemistry of Materials, Vol. 28, Issue 5
Mining Materials Design Rules from Data: The Example of Polymer Dielectrics
journal, October 2017
- Mannodi-Kanakkithodi, Arun; Huan, Tran Doan; Ramprasad, Rampi
- Chemistry of Materials, Vol. 29, Issue 21
Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory
journal, June 2010
- Hautier, Geoffroy; Fischer, Christopher C.; Jain, Anubhav
- Chemistry of Materials, Vol. 22, Issue 12
Machine Learning Force Fields: Construction, Validation, and Outlook
journal, December 2016
- Botu, V.; Batra, R.; Chapman, J.
- The Journal of Physical Chemistry C, Vol. 121, Issue 1
Machine Learning Force Field Parameters from Ab Initio Data
journal, August 2017
- Li, Ying; Li, Hui; Pickard, Frank C.
- Journal of Chemical Theory and Computation, Vol. 13, Issue 9
A polymer dataset for accelerated property prediction and design
journal, March 2016
- Huan, Tran Doan; Mannodi-Kanakkithodi, Arun; Kim, Chiho
- Scientific Data, Vol. 3, Issue 1
Francis Galton's Account of the Invention of Correlation
journal, May 1989
- Stigler, Stephen M.
- Statistical Science, Vol. 4, Issue 2
Observation and Mediation of the Presence of Metallic Lead in Organic–Inorganic Perovskite Films
journal, June 2015
- Sadoughi, Golnaz; Starr, David E.; Handick, Evelyn
- ACS Applied Materials & Interfaces, Vol. 7, Issue 24
Unique Optical Properties of Methylammonium Lead Iodide Nanocrystals Below the Bulk Tetragonal-Orthorhombic Phase Transition
journal, January 2018
- Diroll, Benjamin T.; Guo, Peijun; Schaller, Richard D.
- Nano Letters, Vol. 18, Issue 2
Slow thermal equilibration in methylammonium lead iodide revealed by transient mid-infrared spectroscopy
journal, July 2018
- Guo, Peijun; Gong, Jue; Sadasivam, Sridhar
- Nature Communications, Vol. 9, Issue 1
Impact of Bi 3+ Heterovalent Doping in Organic–Inorganic Metal Halide Perovskite Crystals
journal, January 2018
- Nayak, Pabitra K.; Sendner, Michael; Wenger, Bernard
- Journal of the American Chemical Society, Vol. 140, Issue 2
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journal, April 2020
- Mannodi-Kanakkithodi, Arun; Toriyama, Michael Y.; Sen, Fatih G.
- npj Computational Materials, Vol. 6, Issue 1