Published September 13, 2022 | Version 1.0
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Dataset for the publication: Development of a Mg/O ReaxFF Potential to describe the Passivation Processes in Magnesium-Ion Batteries

Authors/Creators

  • 1. Institute of Electrochemistry, Ulm University
  • 2. Department of Mechanical and Nuclear Engineering, Pennsylvania State University

Description

This dataset contains all input and output files of the performed calculations, which results were published in the ChemSusChem article: 'Development of a Mg/O ReaxFF Potential to describe the Passivation Processes in Magnesium-Ion Batteries' (https://doi.org/10.1002/cssc.202201821). A preprint of the publication is further available under: https://doi.org/10.26434/chemrxiv-2022-3chph.

Files

Dataset.zip

Files (5.6 GB)

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md5:596755f692b2b9c7c4251cf4411fd22d
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Additional details

Related works

Is supplement to
Preprint: 10.26434/chemrxiv-2022-3chph (DOI)
Journal article: 10.1002/cssc.202201821 (DOI)