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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Journal
ChemElectroChem
Published
2024-10-16
DOI
https://doi.org/10.1002/celc.202482002
Primary Topic
Various Chemistry Research Topics
Type
article
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article

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

Katja Heinze, Biprajit Sarkar, Patrick Becker, Johannes Kästner
ChemElectroChem
Various Chemistry Research Topics
article

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

Katja Heinze, Biprajit Sarkar, Patrick Becker, Johannes Kästner
article en

Abstract

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).

ChemElectroChemVol. 11(20)
University of Stuttgart (DE), Johannes Gutenberg University Mainz (DE)
Openalex Percentile: Top 75%
Various Chemistry Research Topics
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