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

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).