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Journal of the American Chemical Society|May 18, 2013
Nonadiabatic dynamics of positive charge during photocatalytic water splitting on GaN(10-10) surface: charge localization governs splitting efficiencyAlexey V Akimov, James T Muckerman, Oleg V Prezhdo
ACS Nano|May 31, 2017
Imidazolium Ionic Liquid Mediates Black Phosphorus Exfoliation while Preventing Phosphorene DecompositionVitaly V Chaban, Eudes Eterno Fileti, Oleg V Prezhdo
The Journal of Physical Chemistry Letters|June 24, 2022
Adsorption of Lanthanide Atoms on Graphene: Similar, Yet DifferentVladimir A Basiuk, Oleg V Prezhdo, Elena V Basiuk
The Journal of Physical Chemistry. B|January 31, 2009
Atomistic simulation combined with analytic theory to study the response of the P-selectin/PSGL-1 complex to an external forceKim N Gunnerson, Yuriy V Pereverzev, Oleg V Prezhdo
Physical Chemistry Chemical Physics : PCCP|June 11, 2016
Understanding divergent behaviors in the photocatalytic hydrogen evolution reaction on CdS and ZnS: a DFT based studyZhaohui Zhou, Fengshuang Han, Liejin Guo, et al.
Dalton Transactions (Cambridge, England : 2003)|November 12, 2009
Symmetric band structures and asymmetric ultrafast electron and hole relaxations in silicon and germanium quantum dots: time-domain ab initio simulationKim Hyeon-Deuk, Angeline B Madrid, Oleg V Prezhdo
Nanoscale|May 25, 2021
Ab initio nonadiabatic molecular dynamics of charge carriers in metal halide perovskitesWei Li, Yalan She, Andrey S Vasenko, 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.
The Journal of Physical Chemistry Letters|February 20, 2019
Mono-Elemental Properties of 2D Black Phosphorus Ensure Extended Charge Carrier Lifetimes under Oxidation: Time-Domain Ab Initio AnalysisLili Zhang, Andrey S Vasenko, Jin Zhao, et al.
Nanoscale|December 9, 2022
Grain boundary sliding and distortion on a nanosecond timescale induce trap states in CsPbBr<sub>3</sub>: <i>ab initio</i> investigation with machine learning force fieldDongyu Liu, Yifan Wu, Andrey S Vasenko, et al.
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