An Electrostatically Embedded QM/MM Scheme for Electrified Interfaces
Author:
Affiliation:
1. Ecole Normale Supérieure de Lyon, CNRS, Laboratoire de Chimie UMR 5182, 46 allée d’Italie, F-69364 Lyon, France
Funder
R?gion Auvergne-Rh?ne-Alpes
AXELERA
SYSPROD
Publisher
American Chemical Society (ACS)
Subject
General Materials Science
Link
https://pubs.acs.org/doi/pdf/10.1021/acsami.3c01430
Reference77 articles.
1. Water at charged interfaces
2. Exploring chemical speciation at electrified interfaces using detailed continuum models
3. Grand-Canonical Model of Electrochemical Double Layers from a Hybrid Density–Potential Functional
4. Unravelling the electrochemical double layer by direct probing of the solid/liquid interface
5. Alignment of Redox Levels at Semiconductor–Water Interfaces
Cited by 5 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. Emerging Atomistic Modeling Methods for Heterogeneous Electrocatalysis;Chemical Reviews;2024-07-11
2. Accelerating QM/MM simulations of electrochemical interfaces through machine learning of electronic charge densities;The Journal of Chemical Physics;2024-07-10
3. Incorporating Electrolyte Correlation Effects into Variational Models of Electrochemical Interfaces;The Journal of Physical Chemistry Letters;2024-02-13
4. Electrochemical Potential-Dependent Stability and Activity of MoS3 during the Hydrogen Evolution Reaction;ACS Catalysis;2023-11-09
5. 2023 Roadmap on molecular modelling of electrochemical energy materials;Journal of Physics: Energy;2023-10-01
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