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Journal of Chemical Theory and Computation|June 26, 2025
Basis-Discretized Surface Hopping for Auger ProcessesXuhui Xu, Shriya Gumber, Oleg V Prezhdo, et al.The Journal of Physical Chemistry Letters|January 20, 2023
Passivation of Hematite by a Semiconducting Overlayer Reduces Charge Recombination: An Insight from Nonadiabatic Molecular DynamicsHua Wang, Zhaohui Zhou, Run Long, et al.Angewandte Chemie (International Ed. in English)|December 25, 2019
Extending Carrier Lifetimes in Lead Halide Perovskites with Alkali Metals by Passivating and Eliminating Halide Interstitial DefectsLu Qiao, Wei-Hai Fang, Run Long, et al.Journal of the American Chemical Society|June 22, 2021
Elimination of Charge Recombination Centers in Metal Halide Perovskites by StrainLu Qiao, Wei-Hai Fang, Run Long, et al.Journal of the American Chemical Society|December 21, 2022
Photolysis versus Photothermolysis of N2O on a Semiconductor Surface Revealed by Nonadiabatic Molecular DynamicsCheng Cheng, Oleg V Prezhdo, Run Long, et al.The Journal of Physical Chemistry Letters|February 21, 2018
Lewis Base Passivation of Hybrid Halide Perovskites Slows Electron-Hole Recombination: Time-Domain Ab Initio AnalysisLihong Liu, Wei-Hai Fang, Run Long, et al.Journal of the American Chemical Society|January 27, 2017
Donor-Acceptor Interaction Determines the Mechanism of Photoinduced Electron Injection from Graphene Quantum Dots into TiO2: π-Stacking Supersedes Covalent BondingRun Long, David Casanova, Wei-Hai Fang, et al.JACS Au|September 1, 2021
Water Splitting with a Single-Atom Cu/TiO2 Photocatalyst: Atomistic Origin of High Efficiency and Proposed Enhancement by Spin SelectionCheng Cheng, Wei-Hai Fang, Run Long, et al.The Journal of Physical Chemistry Letters|October 13, 2020
Edge Influence on Charge Carrier Localization and Lifetime in CH3NH3PbBr3 Perovskite: Ab Initio Quantum Dynamics SimulationRan Shi, Andrey S Vasenko, Run Long, et al.Journal of the American Chemical Society|May 30, 2024
Compression of Organic Molecules Coupled with Hydrogen Bonding Extends the Charge Carrier Lifetime in BA2SnI4Xinbo Ma, Wei-Hai Fang, Run Long, et al.Pageof 51