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Building Ab Initio Interface Pourbaix diagrams to Investigate Electrolyte Stability in the Electrochemical Double Layer: Application to Magnesium Batteries
Journal article   Open access   Peer reviewed

Building Ab Initio Interface Pourbaix diagrams to Investigate Electrolyte Stability in the Electrochemical Double Layer: Application to Magnesium Batteries

Anja Kopač Lautar, Jan Bitenc, Robert Dominko and Jean-Sébastien Filhol
ACS Applied Materials & Interfaces, Vol.13(7), pp.8263-8273
16/02/2021

Abstract

interface electrochemistry Pourbaix diagram electrolyte Magnesium battery chloride Density Functional Theory grand canonical
Insights into the electrochemical processes occurring at the electrode-electrolyte interface are a crucial step in most electrochemistry domains and in particular in the optimization of the battery technology. However, studying potential dependent processes at the interface is one of the biggest challenges, both for theoreticians and experimentalists. The challenge is pushed further when stable species also depend
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