封面专题:氧化还原酸碱相图作为计算氧化还原化学的切入点(ChemElectroChem 20/2024)

IF 3.5 4区 化学 Q2 ELECTROCHEMISTRY ChemElectroChem Pub Date : 2024-10-16 DOI:10.1002/celc.202482002
Patrick M. Becker, Katja Heinze, Biprajit Sarkar, Johannes Kästner
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引用次数: 0

摘要

约翰内斯-卡斯特纳(Johannes Kästner)及其合作者在他们的研究文章中为研究一个系统的氧化还原和酸碱特性提供了理论基础,并用氧化还原-酸碱相图来表示研究结果。由于这种方法可以获得与系统自由能曲线相关的所有属性,因此不仅可以描述不同条件下物种的稳定性,还可以描述动力学量。这些图可以根据实验数据和计算数据构建,从而在实验和模拟之间架起一座桥梁(DOI: 10.1002/celc.202400301)。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Cover Feature: Redox−Acid/Base Phase Diagrams as an Entry to Computational Redox Chemistry (ChemElectroChem 20/2024)

In their Research Article, Johannes Kästner and co-workers provide a theoretical basis for the study of a system with respect to its redox and acid/base properties and represent the results by redox-acid/base phase diagrams. As this approach provides access to all properties associated with the system′s free-energy profile, not only the stability of species under different conditions but also kinetic quantities can be depicted. The diagrams can be constructed based on both experimental and computational data, thus bridging experiment and simulation (DOI: 10.1002/celc.202400301).

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来源期刊
ChemElectroChem
ChemElectroChem ELECTROCHEMISTRY-
CiteScore
7.90
自引率
2.50%
发文量
515
审稿时长
1.2 months
期刊介绍: ChemElectroChem is aimed to become a top-ranking electrochemistry journal for primary research papers and critical secondary information from authors across the world. The journal covers the entire scope of pure and applied electrochemistry, the latter encompassing (among others) energy applications, electrochemistry at interfaces (including surfaces), photoelectrochemistry and bioelectrochemistry.
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