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Lu, Haoran, Fang, Wei-Hai, Long, Run (2024) Nonadiabatic Molecular Dynamics in Momentum Space Beyond Harmonic Approximation: Hot Electron Relaxation in Photoexcited Black Phosphorus. Journal of the American Chemical Society, 146 (28) 19547-19554 doi:10.1021/jacs.4c06654

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Reference TypeJournal (article/letter/editorial)
TitleNonadiabatic Molecular Dynamics in Momentum Space Beyond Harmonic Approximation: Hot Electron Relaxation in Photoexcited Black Phosphorus
JournalJournal of the American Chemical Society
AuthorsLu, HaoranAuthor
Fang, Wei-HaiAuthor
Long, RunAuthor
Year2024 (July 17)Volume146
Page(s)19547-19554Issue28
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jacs.4c06654Search in ResearchGate
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Mindat Ref. ID17503883Long-form Identifiermindat:1:5:17503883:3
GUID0
Full ReferenceLu, Haoran, Fang, Wei-Hai, Long, Run (2024) Nonadiabatic Molecular Dynamics in Momentum Space Beyond Harmonic Approximation: Hot Electron Relaxation in Photoexcited Black Phosphorus. Journal of the American Chemical Society, 146 (28) 19547-19554 doi:10.1021/jacs.4c06654
Plain TextLu, Haoran, Fang, Wei-Hai, Long, Run (2024) Nonadiabatic Molecular Dynamics in Momentum Space Beyond Harmonic Approximation: Hot Electron Relaxation in Photoexcited Black Phosphorus. Journal of the American Chemical Society, 146 (28) 19547-19554 doi:10.1021/jacs.4c06654
In(2024, July) Journal Of The American Chemical Society Vol. 146 (28) American Chemical Society (ACS)

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Lu, Haoran, Long, Run (2024) Nonadiabatic Molecular Dynamics with Non-Condon Effect of Charge Carrier Dynamics. Journal of the American Chemical Society, 146 (1) 1167-1173 doi:10.1021/jacs.3c12687
Lu, Haoran, Long, Run, Fang, Wei-Hai (2023) Electron– versus Spin–Phonon Coupling Governs the Temperature-Dependent Carrier Dynamics in the Topological Insulator Bi2Te3. Journal of the American Chemical Society, 145 (47) 25887-25893 doi:10.1021/jacs.3c10561
Cheng, Cheng, Prezhdo, Oleg V., Long, Run, Fang, Wei-Hai (2023) Photolysis versus Photothermolysis of N2O on a Semiconductor Surface Revealed by Nonadiabatic Molecular Dynamics. Journal of the American Chemical Society, 145 (1) 476-486 doi:10.1021/jacs.2c10643
Liu, Yulong, Shen, Shiying, Prezhdo, Oleg V., Long, Run, Fang, Wei-Hai (2025) Nuclear Quantum Effects Accelerate Hot Carrier Relaxation but Slow Down Recombination in Metal Halide Perovskites. Journal of the American Chemical Society, 147 (13). doi:10.1021/jacs.5c02139
Lu, Haoran, Fang, Wei-Hai, Long, Run (2022) Collective Motion Improves the Stability and Charge Carrier Lifetime of Metal Halide Perovskites: A Phonon-Resolved Nonadiabatic Molecular Dynamics Study. The Journal of Physical Chemistry Letters, 13 (13) 3016-3022 doi:10.1021/acs.jpclett.2c00532
Ma, Xinbo, Tian, Xuesong, Stippell, Elizabeth, Prezhdo, Oleg V., Long, Run, Fang, Wei-Hai (2024) Self-passivation of Halide Interstitial Defects by Organic Cations in Hybrid Lead-Halide Perovskites: Ab Initio Quantum Dynamics. Journal of the American Chemical Society, 146 (42). doi:10.1021/jacs.4c12634
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
Qiao, Lu, Fang, Wei-Hai, Long, Run, Prezhdo, Oleg. V. (2021) Elimination of Charge Recombination Centers in Metal Halide Perovskites by Strain. Journal of the American Chemical Society, 143 (26) 9982-9990 doi:10.1021/jacs.1c04442
Lu, Haoran, Long, Run (2023) Ab Initio Nonadiabatic Molecular Dynamics of Ultrafast Demagnetization in Iron. The Journal of Physical Chemistry Letters, 14 (23) 5403-5409 doi:10.1021/acs.jpclett.3c01346
Qiao, Lu, Fang, Wei-Hai, Prezhdo, Oleg V., Long, Run (2022) Suppressing Oxygen-Induced Deterioration of Metal Halide Perovskites by Alkaline Earth Metal Doping: A Quantum Dynamics Study. Journal of the American Chemical Society, 144 (12) 5543-5551 doi:10.1021/jacs.2c00319
Wei, Yaqing, Fang, Wei-Hai, Fang, Qiu, Long, Run (2018) Nonadiabatic Molecular Dynamics Simulation of Charge Separation and Recombination at a WS2/QD Heterojunction. The Journal of Physical Chemistry C, 122 (13). 7041-7050 doi:10.1021/acs.jpcc.7b10058
 
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