Shi, Yongliang, Chu, Weibin, Zhang, Lili, Wang, Bipeng, Saidi, Wissam A., Zhao, Jin, Prezhdo, Oleg V. (2025) Band Gap Narrowing in Lead-Halide Perovskites by Dynamic Defect Self-Doping for Enhanced Light Absorption and Energy Upconversion. Chemistry of Materials, 37 (2). doi:10.1021/acs.chemmater.4c02530

References Listed

These are the references the publisher has listed as being connected to the article. Please check the article itself for the full list of references which may differ. Not all references are currently linkable within the Digital Library.

	Kojima, Akihiro, Teshima, Kenjiro, Shirai, Yasuo, Miyasaka, Tsutomu (2009) Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells. Journal Of The American Chemical Society, 131 (17) 6050-6051 doi:10.1021/ja809598r
	Chi, Weiguang, Banerjee, Sanjay K. (2021) Achieving Resistance against Moisture and Oxygen for Perovskite Solar Cells with High Efficiency and Stability. Chemistry of Materials, 33 (12) 4269-4303 doi:10.1021/acs.chemmater.1c00773
	Zhu, H., Miyata, K., Fu, Y., Wang, J., Joshi, P. P., Niesner, D., Williams, K. W., Jin, S., Zhu, X.- Y. (2016) Screening in crystalline liquids protects energetic carriers in hybrid perovskites. Science, 353 (6306). 1409-1413 doi:10.1126/science.aaf9570
	Jena, Ajay Kumar, Kulkarni, Ashish, Miyasaka, Tsutomu (2019) Halide Perovskite Photovoltaics: Background, Status, and Future Prospects. Chemical Reviews, 119 (5) 3036-3103 doi:10.1021/acs.chemrev.8b00539
	Aebli, Marcel, Porenta, Nikolaus, Aregger, Nina, Kovalenko, Maksym V. (2021) Local Structure of Multinary Hybrid Lead Halide Perovskites Investigated by Nuclear Quadrupole Resonance Spectroscopy. Chemistry of Materials, 33 (17) 6965-6973 doi:10.1021/acs.chemmater.1c01945
	Park, So Min, Wei, Mingyang, Xu, Jian, Atapattu, Harindi R., Eickemeyer, Felix T., Darabi, Kasra, Grater, Luke, Yang, Yi, Liu, Cheng, Teale, Sam, Chen, Bin, Chen, Hao, Wang, Tonghui, Zeng, Lewei, Maxwell, Aidan, Wang, Zaiwei, Rao, Keerthan R., Cai, Zhuoyun, Zakeeruddin, Shaik M., Pham, Jonathan T., Risko, Chad M., Amassian, Aram, Kanatzidis, Mercouri G., Graham, Kenneth R., Grätzel, Michael, Sargent, Edward H. (2023) Engineering ligand reactivity enables high-temperature operation of stable perovskite solar cells. Science, 381 (6654) 209-215 doi:10.1126/science.adi4107
	Wang, Feifan, Fu, Yongping, Ziffer, Mark E., Dai, Yanan, Maehrlein, Sebastian F., Zhu, X.-Y. (2021) Solvated Electrons in Solids—Ferroelectric Large Polarons in Lead Halide Perovskites. Journal of the American Chemical Society, 143 (1) 5-16 doi:10.1021/jacs.0c10943
	Yan, Jiakai, Li, Haojin, Aldamasy, Mahmoud Hussein, Frasca, Chiara, Abate, Antonio, Zhao, Kui, Hu, Yue (2023) Advances in the Synthesis of Halide Perovskite Single Crystals for Optoelectronic Applications. Chemistry of Materials, 35 (7) 2683-2712 doi:10.1021/acs.chemmater.2c03505
	Karlsson, Max, Yi, Ziyue, Reichert, Sebastian, Luo, Xiyu, Lin, Weihua, Zhang, Zeyu, Bao, Chunxiong, Zhang, Rui, Bai, Sai, Zheng, Guanhaojie, Teng, Pengpeng, Duan, Lian, Lu, Yue, Zheng, Kaibo, Pullerits, Tönu, Deibel, Carsten, Xu, Weidong, Friend, Richard, Gao, Feng (2021) Mixed halide perovskites for spectrally stable and high-efficiency blue light-emitting diodes. Nature Communications, 12 (1) doi:10.1038/s41467-020-20582-6
	Bai, Sai, Da, Peimei, Li, Cheng, Wang, Zhiping, Yuan, Zhongcheng, Fu, Fan, Kawecki, Maciej, Liu, Xianjie, Sakai, Nobuya, Wang, Jacob Tse-Wei, Huettner, Sven, Buecheler, Stephan, Fahlman, Mats, Gao, Feng, Snaith, Henry J. (2019) Planar perovskite solar cells with long-term stability using ionic liquid additives. Nature, 571 (7764). 245-250 doi:10.1038/s41586-019-1357-2
	Min, Hanul, Kim, Maengsuk, Lee, Seung-Un, Kim, Hyeonwoo, Kim, Gwisu, Choi, Keunsu, Lee, Jun Hee, Seok, Sang Il (2019) Efficient, stable solar cells by using inherent bandgap of α-phase formamidinium lead iodide. Science, 366 (6466). 749-753 doi:10.1126/science.aay7044
	Wang, Yong, Dar, M. Ibrahim, Ono, Luis K., Zhang, Taiyang, Kan, Miao, Li, Yawen, Zhang, Lijun, Wang, Xingtao, Yang, Yingguo, Gao, Xingyu, Qi, Yabing, Grätzel, Michael, Zhao, Yixin (2019) Thermodynamically stabilized β-CsPbI3–based perovskite solar cells with efficiencies >18%. Science, 365 (6453). 591-595 doi:10.1126/science.aav8680
	National Renewable Energy Laboratory (NREL) https://www.nrel.gov/pv/cell-efficiency.html/. (accessed December 21, 2024).
	Raval, Parth, Akhavan Kazemi, Mohammad Ali, Ruellou, Julie, Trébosc, Julien, Lafon, Olivier, Delevoye, Laurent, Sauvage, Frédéric, Manjunatha Reddy, G. N. (2023) Examining a Year-Long Chemical Degradation Process and Reaction Kinetics in Pristine and Defect-Passivated Lead Halide Perovskites. Chemistry of Materials, 35 (7) 2904-2917 doi:10.1021/acs.chemmater.2c03803
	Juarez-Perez, Emilio J., Hawash, Zafer, Raga, Sonia R., Ono, Luis K., Qi, Yabing (2016) Thermal degradation of CH3NH3PbI3 perovskite into NH3 and CH3I gases observed by coupled thermogravimetry–mass spectrometry analysis. Energy & Environmental Science, 9 (11). 3406-3410 doi:10.1039/c6ee02016j
	Boyd, Caleb C., Cheacharoen, Rongrong, Leijtens, Tomas, McGehee, Michael D. (2019) Understanding Degradation Mechanisms and Improving Stability of Perovskite Photovoltaics. Chemical Reviews, 119 (5) 3418-3451 doi:10.1021/acs.chemrev.8b00336
	Roy, Baidyanath, Mahato, Somnath, Bose, Shaona, Ghorai, Arup, Srivastava, Sanjeev Kumar, Das, Narayan Chandra, Ray, Samit Kumar (2023) Cu-Doping Induced Phase Transformation in CsPbI3 Nanocrystals with Enhanced Structural Stability and Photoluminescence Quantum Yield. Chemistry of Materials, 35 (4) 1601-1609 doi:10.1021/acs.chemmater.2c03095
	Kim, Donggyu, Ryu, Hongsun, Lim, Soo Yeon, McCall, Kyle M., Park, Jongwoo, Kim, Sungdo, Kim, Tae Jung, Kim, Jeongyong, Kim, Yong Soo, Kanatzidis, Mercouri G., Cheong, Hyeonsik, Jang, Joon I. (2021) On the Origin of Room-Temperature Amplified Spontaneous Emission in CsPbBr3 Single Crystals. Chemistry of Materials, 33 (18) 7185-7193 doi:10.1021/acs.chemmater.1c00591
	Wang, Yong, Zhang, Taiyang, Kan, Miao, Zhao, Yixin (2018) Bifunctional Stabilization of All-Inorganic α-CsPbI3 Perovskite for 17% Efficiency Photovoltaics. Journal Of The American Chemical Society, 140 (39) 12345-12348 doi:10.1021/jacs.8b07927
	Kulbak, Michael, Cahen, David, Hodes, Gary (2015) How Important Is the Organic Part of Lead Halide Perovskite Photovoltaic Cells? Efficient CsPbBr3Cells. The Journal of Physical Chemistry Letters, 6 (13). 2452-2456 doi:10.1021/acs.jpclett.5b00968
	Mishra, Aditya, DiLuzio, Stephen, Alahbakhshi, Masoud, Adams, Austen C., Bowler, Melanie H., Moon, Jiyoung, Gu, Qing, Zakhidov, Anvar A., Bernhard, Stefan, Slinker, Jason D. (2021) Bright Single-Layer Perovskite Host–Ionic Guest Light-Emitting Electrochemical Cells. Chemistry of Materials, 33 (4) 1201-1212 doi:10.1021/acs.chemmater.0c03934
	Stelmakh, Andriy, Aebli, Marcel, Baumketner, Andrij, Kovalenko, Maksym V. (2021) On the Mechanism of Alkylammonium Ligands Binding to the Surface of CsPbBr3 Nanocrystals. Chemistry of Materials, 33 (15) 5962-5973 doi:10.1021/acs.chemmater.1c01081
	Zhao, Weijie, Su, Rui, Huang, Yuqing, Wu, Jinqi, Fong, Chee Fai, Feng, Jiangang, Xiong, Qihua (2020) Transient circular dichroism and exciton spin dynamics in all-inorganic halide perovskites. Nature Communications, 11 (1) doi:10.1038/s41467-020-19471-9
	Liu, Xiaomin, Wang, Xingtao, Zhang, Taiyang, Miao, Yanfeng, Qin, Zhixiao, Chen, Yuetian, Zhao, Yixin (2021) Organic Tetrabutylammonium Cation Intercalation to Heal Inorganic CsPbI 3 Perovskite. Angewandte Chemie International Edition, 60 (22) 12351-12355 doi:10.1002/anie.202102538
	Wang, Yong, Chen, Gaoyuan, Ouyang, Dan, He, Xinjun, Li, Can, Ma, Ruiman, Yin, Wan‐Jian, Choy, Wallace C. H. (2020) High Phase Stability in CsPbI 3 Enabled by Pb–I Octahedra Anchors for Efficient Inorganic Perovskite Photovoltaics. Advanced Materials, 32 (24) 2000186pp. doi:10.1002/adma.202000186
	Wang, Yong, Liu, Xiaomin, Zhang, Taiyang, Wang, Xingtao, Kan, Miao, Shi, Jielin, Zhao, Yixin (2019) The Role of Dimethylammonium Iodide in CsPbI 3 Perovskite Fabrication: Additive or Dopant?. Angewandte Chemie International Edition, 58 (46). 16691-16696 doi:10.1002/anie.201910800
	Shockley, William, Queisser, Hans J. (1961) Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells. Journal of Applied Physics, 32 (3). 510-519 doi:10.1063/1.1736034
	Not Yet Imported: ACS Energy Letters - journal-article : 10.1021/acsenergylett.9b02338 If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Shockley, W., Read, W. T. (1952) Statistics of the Recombinations of Holes and Electrons. Physical Review, 87 (5). 835-842 doi:10.1103/physrev.87.835
	Chu, Weibin, Saidi, Wissam A., Zhao, Jin, Prezhdo, Oleg V. (2020) Soft Lattice and Defect Covalency Rationalize Tolerance of β‐CsPbI 3 Perovskite Solar Cells to Native Defects. Angewandte Chemie International Edition, 59 (16) 6435-6441 doi:10.1002/anie.201915702
	Chu, Weibin, Zheng, Qijing, Prezhdo, Oleg V., Zhao, Jin, Saidi, Wissam A. (2020) Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination. Science Advances, 6 (7). doi:10.1126/sciadv.aaw7453
	Li, Wei, She, Yalan, Vasenko, Andrey S., Prezhdo, Oleg V. (2021) Ab initio nonadiabatic molecular dynamics of charge carriers in metal halide perovskites. Nanoscale, 13 (23) 10239-10265 doi:10.1039/d1nr01990b
	Ma, Xinbo, Fang, Wei-Hai, Long, Run, Prezhdo, Oleg V. (2024) Compression of Organic Molecules Coupled with Hydrogen Bonding Extends the Charge Carrier Lifetime in BA2SnI4. Journal of the American Chemical Society, 146 (23) 16314-16323 doi:10.1021/jacs.4c05191
	Zhao, Xi, Vasenko, Andrey S., Prezhdo, Oleg V., Long, Run (2022) Anion Doping Delays Nonradiative Electron–Hole Recombination in Cs-Based All-Inorganic Perovskites: Time Domain ab Initio Analysis. The Journal of Physical Chemistry Letters, 13 (49) 11375-11382 doi:10.1021/acs.jpclett.2c03072
	Luque, Antonio, Martí, Antonio (1997) Increasing the Efficiency of Ideal Solar Cells by Photon Induced Transitions at Intermediate Levels. Physical Review Letters, 78 (26). 5014-5017 doi:10.1103/physrevlett.78.5014
	Not Yet Imported: - journal-article : 10.1021/acsenergylett.8b00672 If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Wang, Chujie, Chesman, Anthony S. R., Jasieniak, Jacek J. (2017) Stabilizing the cubic perovskite phase of CsPbI3 nanocrystals by using an alkyl phosphinic acid. Chemical Communications, 53 (1). 232-235 doi:10.1039/c6cc08282c
	Liang, Jia, Han, Xiao, Yang, Ji‐Hui, Zhang, Boyu, Fang, Qiyi, Zhang, Jing, Ai, Qing, Ogle, Meredith M., Terlier, Tanguy, Martí, Angel A., Lou, Jun (2019) Defect‐Engineering‐Enabled High‐Efficiency All‐Inorganic Perovskite Solar Cells. Advanced Materials, 31. 1903448pp. doi:10.1002/adma.201903448
	Huang, Yang, Yin, Wan-Jian, He, Yao (2018) Intrinsic Point Defects in Inorganic Cesium Lead Iodide Perovskite CsPbI3. The Journal of Physical Chemistry C, 122 (2). 1345-1350 doi:10.1021/acs.jpcc.7b10045
	Shan, Weitao, Saidi, Wissam A. (2017) Segregation of Native Defects to the Grain Boundaries in Methylammonium Lead Iodide Perovskite. The Journal of Physical Chemistry Letters, 8 (23). 5935-5942 doi:10.1021/acs.jpclett.7b02727
	Yin, Wan-Jian, Shi, Tingting, Yan, Yanfa (2014) Unusual defect physics in CH3NH3PbI3 perovskite solar cell absorber. Applied Physics Letters, 104 (6). 63903pp. doi:10.1063/1.4864778
	Not Yet Imported: Phys. Chem. Chem. Phys. - journal-article : 10.1039/C4CP00569D If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Agiorgousis, Michael L., Sun, Yi-Yang, Zeng, Hao, Zhang, Shengbai (2014) Strong Covalency-Induced Recombination Centers in Perovskite Solar Cell Material CH3NH3PbI3. Journal Of The American Chemical Society, 136 (41) 14570-14575 doi:10.1021/ja5079305
	Marronnier, Arthur, Lee, Heejae, Geffroy, Bernard, Even, Jacky, Bonnassieux, Yvan, Roma, Guido (2017) Structural Instabilities Related to Highly Anharmonic Phonons in Halide Perovskites. The Journal of Physical Chemistry Letters, 8 (12). 2659-2665 doi:10.1021/acs.jpclett.7b00807
	Jaeger, Heather M., Fischer, Sean, Prezhdo, Oleg V. (2012) Decoherence-induced surface hopping. The Journal of Chemical Physics, 137 (22). 22pp. doi:10.1063/1.4757100
	Liu, Dongyu, Wang, Bipeng, Vasenko, Andrey S., Prezhdo, Oleg V. (2024) Decoherence ensures convergence of non-adiabatic molecular dynamics with number of states. The Journal of Chemical Physics, 161 (6) doi:10.1063/5.0222557
	Not Yet Imported: - journal-article : 10.1021/ct400641n If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Not Yet Imported: - journal-article : 10.1002/wcms.1411 If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Not Yet Imported: - journal-article : 10.1021/ct400934c If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Gumber, Shriya, Prezhdo, Oleg V. (2023) Zeno and Anti-Zeno Effects in Nonadiabatic Molecular Dynamics. The Journal of Physical Chemistry Letters, 14 (32) 7274-7282 doi:10.1021/acs.jpclett.3c01831
	Not Yet Imported: - journal-article : 10.1103/PhysRevB.109.075306 If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Not Yet Imported: - journal-article : 10.1021/nl0617383 If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Not Yet Imported: - journal-article : 10.1002/aenm.201702898 If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Ni, Zhenyi, Bao, Chunxiong, Liu, Ye, Jiang, Qi, Wu, Wu-Qiang, Chen, Shangshang, Dai, Xuezeng, Chen, Bo, Hartweg, Barry, Yu, Zhengshan, Holman, Zachary, Huang, Jinsong (2020) Resolving spatial and energetic distributions of trap states in metal halide perovskite solar cells. Science, 367 (6484). 1352-1358 doi:10.1126/science.aba0893
	Yin, Wan-Jian, Shi, Tingting, Yan, Yanfa (2014) Unique Properties of Halide Perovskites as Possible Origins of the Superior Solar Cell Performance. Advanced Materials, 26. 4653-4658 doi:10.1002/adma.201306281
	Grancini, Giulia, Marras, Sergio, Prato, Mirko, Giannini, Cinzia, Quarti, Claudio, De Angelis, Filippo, De Bastiani, Michele, Eperon, Giles E., Snaith, Henry J., Manna, Liberato, Petrozza, Annamaria (2014) The Impact of the Crystallization Processes on the Structural and Optical Properties of Hybrid Perovskite Films for Photovoltaics. The Journal of Physical Chemistry Letters, 5 (21). 3836-3842 doi:10.1021/jz501877h
	Urbach, Franz (1953) The Long-Wavelength Edge of Photographic Sensitivity and of the Electronic Absorption of Solids. Physical Review, 92 (5). 1324 doi:10.1103/physrev.92.1324
	Not Yet Imported: ACS Energy Letters - journal-article : 10.1021/acsenergylett.0c02067 If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Not Yet Imported: - journal-article : 10.1021/acsenergylett.6b00727 If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Wei, Zimu, Guo, Dengyang, Thieme, Jos, Katan, Claudine, Caselli, Valentina M., Even, Jacky, Savenije, Tom J. (2019) The importance of relativistic effects on two-photon absorption spectra in metal halide perovskites. Nature Communications, 10. doi:10.1038/s41467-019-13136-y
	Krishnakanth, K. N., Seth, Sudipta, Samanta, Anunay, Venugopal Rao, S. (2019) Broadband ultrafast nonlinear optical studies revealing exciting multi-photon absorption coefficients in phase pure zero-dimensional Cs4PbBr6 perovskite films. Nanoscale, 11. 945-954 doi:10.1039/c8nr06969g
	Not Yet Imported: - journal-article : 10.1002/adfm.201301513 If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Hosokawa, Hiroji, Tamaki, Ryo, Sawada, Takuya, Okonogi, Akinori, Sato, Haruyuki, Ogomi, Yuhei, Hayase, Shuzi, Okada, Yoshitaka, Yano, Toshihiro (2019) Solution-processed intermediate-band solar cells with lead sulfide quantum dots and lead halide perovskites. Nature Communications, 10. doi:10.1038/s41467-018-07655-3
	Not Yet Imported: - journal-article : 10.1088/2040-8978/18/7/074010 If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Luque, Antonio, Martí, Antonio, Antolín, Elisa, Tablero, César (2006) Intermediate bands versus levels in non-radiative recombination. Physica B: Condensed Matter, 382 (1). 320-327 doi:10.1016/j.physb.2006.03.006
	Asahi, Shigeo, Teranishi, Haruyuki, Kusaki, Kazuki, Kaizu, Toshiyuki, Kita, Takashi (2017) Two-step photon up-conversion solar cells. Nature Communications, 8. doi:10.1038/ncomms14962
	Ramiro, I., Villa, J., Hwang, J., Martin, A. J., Millunchick, J., Phillips, J., Martí, A. (2020) Demonstration of a GaSb/GaAs Quantum Dot Intermediate Band Solar Cell Operating at Maximum Power Point. Physical Review Letters, 125 (24) doi:10.1103/physrevlett.125.247703
	Not Yet Imported: - journal-article : 10.1002/pip.3351 If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Wu, Bo, Wang, Aocheng, Fu, Jing, Zhang, Yutong, Yang, Cheng, Gong, Yiyang, Jiang, Chuanxiu, Long, Mingzhu, Zhou, Guofu, Yue, Shuai, Ma, Wei, Liu, Xinfeng (2023) Uncovering the mechanisms of efficient upconversion in two-dimensional perovskites with anti-Stokes shift up to 220 meV. Science Advances, 9 (39) doi:10.1126/sciadv.adi9347
	Not Yet Imported: - journal-article : 10.1002/wcms.1411 If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Craig, Colleen F., Duncan, Walter R., Prezhdo, Oleg V. (2005) Trajectory Surface Hopping in the Time-Dependent Kohn-Sham Approach for Electron-Nuclear Dynamics. Physical Review Letters, 95 (16). doi:10.1103/physrevlett.95.163001
	Kresse, G., Hafner, J. (1994) Ab initiomolecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium. Physical Review B, 49 (20) 14251-14269 doi:10.1103/physrevb.49.14251
	Kresse, G., Hafner, J. (1993) Ab initiomolecular dynamics for liquid metals. Physical Review B, 47 (1) 558-561 doi:10.1103/physrevb.47.558
	Kresse, G., Hafner, J. (1993) Ab initiomolecular dynamics for open-shell transition metals. Physical Review B, 48 (17) 13115-13118 doi:10.1103/physrevb.48.13115
	Kresse, G., Joubert, D. (1999) From ultrasoft pseudopotentials to the projector augmented-wave method. Physical Review B, 59 (3) 1758-1775 doi:10.1103/physrevb.59.1758
	Not Yet Imported: - journal-article : 10.1021/acs.jpclett.0c03853 If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Akimov, Alexey V. (2018) A Simple Phase Correction Makes a Big Difference in Nonadiabatic Molecular Dynamics. The Journal of Physical Chemistry Letters, 9 (20). 6096-6102 doi:10.1021/acs.jpclett.8b02826
	Not Yet Imported: - journal-article : 10.1021/acs.jpclett.0c03080 If you would like this item imported into the Digital Library, please contact us quoting Journal ID
	Liu, Dongyu, Wang, Bipeng, Wu, Yifan, Vasenko, Andrey S., Prezhdo, Oleg V. (2024) Breaking the size limitation of nonadiabatic molecular dynamics in condensed matter systems with local descriptor machine learning. Proceedings of the National Academy of Sciences, 121 (36). doi:10.1073/pnas.2403497121
	Not Yet Imported: - journal-article : 10.1038/s43588-022-00297-y If you would like this item imported into the Digital Library, please contact us quoting Journal ID

See Also

These are possibly similar items as determined by title/reference text matching only.

	Wang, Bipeng, Chu, Weibin, Wu, Yifan, Saidi, Wissam A., Prezhdo, Oleg V. (2025) Sub-bandgap charge harvesting and energy up-conversion in metal halide perovskites: ab initio quantum dynamics. npj Computational Materials, 11 (1). doi:10.1038/s41524-024-01467-4
	Wang, Bipeng, Chu, Weibin, Wu, Yifan, Casanova, David, Saidi, Wissam A., Prezhdo, Oleg V. (2022) Electron-Volt Fluctuation of Defect Levels in Metal Halide Perovskites on a 100 ps Time Scale. The Journal of Physical Chemistry Letters, 13 (25) 5946-5952 doi:10.1021/acs.jpclett.2c01452
	Chu, Weibin, Zheng, Qijing, Prezhdo, Oleg V., Zhao, Jin, Saidi, Wissam A. (2020) Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination. Science Advances, 6 (7). doi:10.1126/sciadv.aaw7453
	Wu, Yifan; Wang, Bipeng; Casanova, David; Prezhdo, Oleg V. (2025) Atomistic Mechanism of Perovskite Grain Boundary Healing by Halide Doping: Machine Learning and Ab Initio Analyses. Chemistry of Materials, 37 (14). doi:10.1021/acs.chemmater.5c01353
	Chu, Weibin, Saidi, Wissam A., Zhao, Jin, Prezhdo, Oleg V. (2020) Soft Lattice and Defect Covalency Rationalize Tolerance of β‐CsPbI 3 Perovskite Solar Cells to Native Defects. Angewandte Chemie, 132 (16) 6497-6503 doi:10.1002/ange.201915702
	Wu, Yifan, Liu, Dongyu, Chu, Weibin, Wang, Bipeng, Vasenko, Andrey S., Prezhdo, Oleg V. (2025) Point defects at grain boundaries can create structural instabilities and persistent deep traps in metal halide perovskites. Nanoscale, 17 (4). doi:10.1039/d4nr03424d
	Chu, Weibin, Saidi, Wissam A., Zhao, Jin, Prezhdo, Oleg V. (2020) Soft Lattice and Defect Covalency Rationalize Tolerance of β‐CsPbI 3 Perovskite Solar Cells to Native Defects. Angewandte Chemie International Edition, 59 (16) 6435-6441 doi:10.1002/anie.201915702
	How, Wei Bin, Wang, Bipeng, Chu, Weibin, Kovalenko, Sergiy M., Tkatchenko, Alexandre, Prezhdo, Oleg V. (2022) Dimensionality reduction in machine learning for nonadiabatic molecular dynamics: Effectiveness of elemental sublattices in lead halide perovskites. The Journal of Chemical Physics, 156 (5) 54110pp. doi:10.1063/5.0078473
	Li, Wei, Chen, Zhi, Tang, Jianfeng, Prezhdo, Oleg V. (2020) Anti-correlation between Band gap and Carrier Lifetime in Lead Halide Perovskites under Compression Rationalized by Ab Initio Quantum Dynamics. Chemistry of Materials, 32 (11) 4707-4715 doi:10.1021/acs.chemmater.0c01287
	Alkhalifah, Ghadah, Wang, Bipeng, Prezhdo, Oleg V., Chan, Wai-Lun (2025) Suppressing Polaronic Defect–Photocarrier Interaction in Halide Perovskites by Pre-distorting Its Lattice. Journal of the American Chemical Society, 147 (3). doi:10.1021/jacs.4c12322
	Lu, Teng-Fei, Chu, Weibin, Agrawal, Sraddha, Zhang, Zhihua, Prezhdo, Oleg V. (2023) Lattice Distortion and Low-Frequency Anharmonic Phonons Suppress Charge Recombination in Lead Halide Perovskites upon Pseudohalide Doping: Time-Domain Ab Initio Analysis. The Journal of Physical Chemistry Letters, 14 (47) 10685-10692 doi:10.1021/acs.jpclett.3c02850