Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential

Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential

Lithium-graphite intercalation compounds (Li-GICs) are the most popular anode material for modern lithium-ion batteries and have been subject to numerous studies—both experimental and theoretical. However, the system is still far from being consistently understood in detail across the full range of...

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Enregistré dans:
Détails bibliographiques
Auteurs principaux: Simon Anniés, Chiara Panosetti, Maria Voronenko, Dario Mauth, Christiane Rahe, Christoph Scheurer
Format: article
Langue:EN
Publié: MDPI AG 2021
Sujets:
lithium-ion batteries
DFTB
Li-GIC
graphite
intercalation
multiscale modeling
Technology
T
Electrical engineering. Electronics. Nuclear engineering
TK1-9971
Engineering (General). Civil engineering (General)
TA1-2040
Microscopy
QH201-278.5
Descriptive and experimental mechanics
QC120-168.85
Accès en ligne:https://doaj.org/article/58759729fbe748958fb00d51f59983d8
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Internet

https://doaj.org/article/58759729fbe748958fb00d51f59983d8

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