Front Cover: Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries (ChemSusChem 9/2021)

The Front Cover shows one of the chemical reaction mechanisms observed in a deep eutectic electrolyte formed by AlCl3 and urea. This is a promising electrolyte for inexpensive and environmentally friendly next‐generation batteries based on aluminum. We have developed the computational techniques nee...

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Published inChemSusChem Vol. 14; no. 9; p. 1970
Main Authors Carrasco‐Busturia, David, Lysgaard, Steen, Jankowski, Piotr, Vegge, Tejs, Bhowmik, Arghya, García‐Lastra, Juan María
Format Journal Article
LanguageEnglish
Published 06.05.2021
Subjects
aluminum
batteries
chemical reactions
deep eutectic solvents
molecular dynamics
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Summary:The Front Cover shows one of the chemical reaction mechanisms observed in a deep eutectic electrolyte formed by AlCl3 and urea. This is a promising electrolyte for inexpensive and environmentally friendly next‐generation batteries based on aluminum. We have developed the computational techniques needed to identify chemical species and track reaction mechanisms across an ab initio molecular dynamics trajectory. The reaction mechanisms and speciation observed help to gain more insight in the development of such batteries. More information can be found in the Full Paper by D. Carrasco‐Busturia et al.
ISSN:1864-5631
1864-564X
DOI:10.1002/cssc.202100736