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The Journal of Physical Chemistry Letters|August 4, 2016
Moderate Humidity Delays Electron-Hole Recombination in Hybrid Organic-Inorganic Perovskites: Time-Domain Ab Initio Simulations Rationalize ExperimentsRun Long, Weihai Fang, Oleg V PrezhdoThe Journal of Physical Chemistry Letters|January 24, 2022
Excited State Dynamics in Dual-Defects Modified Graphitic Carbon NitrideShriya Gumber, Sraddha Agrawal, Oleg V PrezhdoThe Journal of Physical Chemistry Letters|January 3, 2022
Interpolating Nonadiabatic Molecular Dynamics Hamiltonian with Inverse Fast Fourier TransformBipeng Wang, Weibin Chu, Oleg V PrezhdoNano Letters|December 15, 2020
Modeling Auger Processes with Nonadiabatic Molecular DynamicsGuoqing Zhou, Gang Lu, Oleg V PrezhdoJournal of the American Chemical Society|March 2, 2016
Unravelling the Effects of Grain Boundary and Chemical Doping on Electron-Hole Recombination in CH3NH3PbI3 Perovskite by Time-Domain Atomistic SimulationRun Long, Jin Liu, Oleg V PrezhdoNano Letters|December 1, 2017
Effect of Aspect Ratio on Multiparticle Auger Recombination in Single-Walled Carbon Nanotubes: Time Domain Atomistic SimulationSougata Pal, David Casanova, Oleg V PrezhdoNano Letters|May 19, 2018
Why Chemical Vapor Deposition Grown MoS<sub>2</sub> Samples Outperform Physical Vapor Deposition Samples: Time-Domain ab Initio AnalysisLinqiu Li, Run Long, Oleg V PrezhdoJournal of the American Chemical Society|April 17, 2025
Design of Twisted Two-Dimensional Heterostructures and Performance Regulation Descriptor for Electrocatalytic Ammonia Production from Nitric OxideXingxing Wen, Oleg V Prezhdo, Lai XuThe Journal of Physical Chemistry Letters|May 14, 2026
Design of Twisted Metal Intercalated Bilayer for Descriptor of Electrocatalytic Urea SynthesisHaoxiang Zhang, Oleg V Prezhdo, Lai XuThe Journal of Physical Chemistry Letters|August 12, 2015
Ab Initio Analysis of Auger-Assisted Electron TransferKim Hyeon-Deuk, Joonghan Kim, Oleg V PrezhdoPageof 56