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Journal of the American Chemical Society|November 10, 2017
Interplay between Localized and Free Charge Carriers Can Explain Hot Fluorescence in the CH<sub>3</sub>NH<sub>3</sub>PbBr<sub>3</sub> Perovskite: Time-Domain Ab Initio AnalysisZhaosheng Zhang, Run Long, Marina V Tokina, et al.Journal of the American Chemical Society|March 19, 2019
Superoxide/Peroxide Chemistry Extends Charge Carriers' Lifetime but Undermines Chemical Stability of CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Exposed to Oxygen: Time-Domain ab Initio AnalysisJinlu He, Wei-Hai Fang, Run Long, et al.The Journal of Chemical Physics|August 11, 2020
Ab initio quantum dynamics of charge carriers in graphitic carbon nitride nanosheetsSraddha Agrawal, Wei Lin, Oleg V Prezhdo, et al.Journal of the American Chemical Society|August 14, 2020
Why Oxygen Increases Carrier Lifetimes but Accelerates Degradation of CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> under Light Irradiation: Time-Domain Ab Initio AnalysisJinlu He, Wei-Hai Fang, Run Long, et al.The Journal of Physical Chemistry Letters|February 19, 2024
Enhanced Charge Separation in Single Atom Cobalt Based Graphitic Carbon Nitride: Time Domain <i>Ab Initio</i> AnalysisSraddha Agrawal, David Casanova, Dhara J Trivedi, et al.The Journal of Chemical Physics|August 9, 2024
Decoherence ensures convergence of non-adiabatic molecular dynamics with number of statesDongyu Liu, Bipeng Wang, Andrey S Vasenko, et al.The Journal of Physical Chemistry Letters|March 21, 2019
Symmetry Breaking at MAPbI<sub>3</sub> Perovskite Grain Boundaries Suppresses Charge Recombination: Time-Domain ab Initio AnalysisYutong Wang, Wei-Hai Fang, Run Long, et al.Journal of the American Chemical Society|September 19, 2019
Exciton Dissociation and Suppressed Charge Recombination at 2D Perovskite Edges: Key Roles of Unsaturated Halide Bonds and Thermal DisorderZhaosheng Zhang, Wei-Hai Fang, Run Long, et al.The Journal of Physical Chemistry Letters|December 1, 2022
Anion Doping Delays Nonradiative Electron-Hole Recombination in Cs-Based All-Inorganic Perovskites: Time Domain ab Initio AnalysisXi Zhao, Andrey S Vasenko, Oleg V Prezhdo, et al.Journal of the American Chemical Society|June 19, 2023
Nuclear Quantum Effects Prolong Charge Carrier Lifetimes in Hybrid Organic-Inorganic PerovskitesYulong Liu, Run Long, Wei-Hai Fang, et al.Pageof 56