From absolute potentials to a generalized computational standard hydrogen electrode for aqueous and non-aqueous solvents
Author:
Affiliation:
1. Department of Chemistry and Material Science
2. School of Chemical Engineering
3. 02150 Espoo
4. Finland
5. Department of Chemistry and Molecular Biology
6. University of Gothenburg
7. 41296 Gothenburg
8. Sweden
Abstract
A protocol to compute proton stabilities in non-aqueous solvents is presented and the absolute potentials in 36 solvents are predicted.
Funder
Jane ja Aatos Erkon Säätiö
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP00499A
Reference86 articles.
1. Redox catalysis in organic electrosynthesis: basic principles and recent developments
2. Electrosynthesis of Poly(alanine)-Like Peptides in Concentrated Alanine Based Electrolytes, Characterization Coupled to DFT Study and Application to pH Proton Receptor
3. The electrochemical response of core-functionalized naphthalene Diimides (NDI) – a combined computational and experimental investigation
4. Ab initio study of P-doped borocarbonitride nanosheet as anode material for Li-ion and Na-ion batteries
Cited by 12 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. First and Second Reductions in an Aprotic Solvent: Comparing Computational and Experimental One-Electron Reduction Potentials for 345 Quinones;Journal of Chemical Theory and Computation;2024-07-06
2. Exploring the Mechanism of the Electrochemical Polymerization of CO2 to Hard Carbon over CeO2(110);The Journal of Physical Chemistry C;2024-04-08
3. SOLVENTS AND SOLUTES: INTERACTION, DISSOLUTION, POWER;Handbook of Solvents, Volume 1;2024
4. Dependence of photocatalytic activity on the direction of the intrinsic dipole in GaOI-based Janus structures;Journal of Applied Physics;2023-09-15
5. Benchmarking the computed proton solvation energy and absolute potential in non-aqueous solvents;Electrochimica Acta;2023-03
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