Assessing Mixed Quantum-Classical Molecular Dynamics Methods for Nonadiabatic Dynamics of Molecules on Metal Surfaces
Author:
Affiliation:
1. Department of Chemistry, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom
2. Department of Physics, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom
Funder
Engineering and Physical Sciences Research Council
UK Research and Innovation
Leverhulme Trust
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.3c03591
Reference91 articles.
1. Electron-Hole Pair Creation at Ag and Cu Surfaces by Adsorption of Atomic Hydrogen and Deuterium
2. Electronically non-adiabatic interactions of molecules at metal surfaces: Can we trust the Born–Oppenheimer approximation for surface chemistry?
3. Electron-hole pair excitation determines the mechanism of hydrogen atom adsorption
4. Plasmon-induced hot carrier science and technology
5. Plasmon-Driven Catalysis on Molecules and Nanomaterials
Cited by 7 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Controlling Plasmonic Catalysis via Strong Coupling with Electromagnetic Resonators;Nano Letters;2024-09-12
2. Three statistical descriptions of classical systems and their extensions to hybrid quantum–classical systems;The European Physical Journal Plus;2024-09-02
3. First-Principles Nonadiabatic Dynamics of Molecules at Metal Surfaces with Vibrationally Coupled Electron Transfer;Physical Review Letters;2024-07-19
4. Microcanonical treatment of HCl dissociative chemisorption on Au(111): Reactive dampening through inefficient translational energy coupling and an active surface;The Journal of Chemical Physics;2024-02-23
5. Hot Electrons in Catalysis;The Journal of Physical Chemistry C;2024-02-08
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3