Reactive molecular dynamics simulations of lithium-ion battery electrolyte degradation

Abstract The development of reliable computational methods for novel battery materials has become essential due to the recently intensified research efforts on more sustainable energy storage materials. Here, we use a recently developed framework allowing to consistently incorporate quantum-mechanic...

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Bibliographic Details
Main Authors: Y. Mabrouk, N. Safaei, F. Hanke, J. M. Carlsson, D. Diddens, A. Heuer
Format: Article
Language:English
Published: Nature Portfolio 2024-05-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-024-60063-0
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