Technical University of Denmark
Browse
MD.tar.gz (1023.72 MB)

Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries

Download (1023.72 MB)
dataset
posted on 2023-05-11, 12:55 authored by David Carrasco de Busturia, Steen LysgaardSteen Lysgaard, Piotr Jankowski, Tejs VeggeTejs Vegge, Arghya BhowmikArghya Bhowmik, Juan Maria García LastraJuan Maria García Lastra

A trajectory file containing one of the ab initio molecular dynamics simulations that underlies the publication "Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries" D. Carrasco-Busturia, S. Lysgaard, P. Jankowski, T. Vegge, A. Bhowmik, J. M. García-Lastra, ChemSusChem 2021, 14, 2034. https://doi.org/10.1002/cssc.202100163 


Requirements:

Atomic Simulation Environment (ASE)



Funding

Sulfur-Aluminium Battery with Advanced Polymeric Gel Electrolytes

European Commission

Find out more...

A Marketable Polymer based Al-S battery

European Commission

Find out more...

History

ORCID for corresponding depositor