Using Implicit Solvent in Ab Initio Electrochemical Modeling: Investigating Li+/Li Electrochemistry at a Li/Solvent Interface
Author:
Affiliation:
1. Institut Charles Gerhardt−CNRS 5253 and Université de Montpellier, Place Eugène Bataillon, 34 095 Montpellier Cédex 5, France
2. Réseau sur le Stockage Electrochimique de l’Energie (RS2E), CNRS FR3459, 80039 Amiens Cedex, France
Funder
Agence Nationale de la Recherche
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00170
Reference59 articles.
1. Interface electrochemistry in conversion materials for Li-ion batteries
2. Phase Diagrams for Systems with Low Free Energy Variation: A Coupled Theory/Experiments Method Applied to Li-Graphite
3. Interfacial Electrochemistry
4. Updated references for the structural, electronic, and vibrational properties of TiO2(B) bulk using first-principles density functional theory calculations
5. Highly Strained Structure of a Four-Layer Deposit of Pd on Ni(110): A Coupled Theoretical and Experimental Study
Cited by 61 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. Influence of Simple Salts on Solvent Reduction Stability at Mg‐Alloy Anodes Interface: A Potential‐Dependent DFT Study;Advanced Energy Materials;2024-08-13
2. A Perspective on the Molecular Modeling of Electrolyte Decomposition Reactions for Solid Electrolyte Interphase Growth in Lithium‐Ion Batteries;Advanced Functional Materials;2024-03-10
3. Constant Potential Thermodynamic Integration for Obtaining the Free Energy Profile of Electrochemical Reaction;The Journal of Physical Chemistry Letters;2024-01-29
4. Incorporating solvent effects in DFT: insights from cation exchange in faujasites;Physical Chemistry Chemical Physics;2024
5. Bidirectional electron transfer boosts Li–CO2 electrochemistry;Journal of Materials Chemistry A;2024
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