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 in | ChemSusChem Vol. 14; no. 9; p. 1970 |
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| Main Authors | , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
06.05.2021
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| Subjects | |
| Online Access | Get full text |
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| Abstract | 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. |
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| AbstractList | 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. |
| Author | Vegge, Tejs Lysgaard, Steen Bhowmik, Arghya Carrasco‐Busturia, David Jankowski, Piotr García‐Lastra, Juan María |
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| Snippet | 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... |
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| SubjectTerms | aluminum batteries chemical reactions deep eutectic solvents molecular dynamics |
| Title | Front Cover: Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries (ChemSusChem 9/2021) |
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