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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Detalles Bibliográficos
Autores principales: Anniés, Simon, Panosetti, Chiara, Voronenko, Maria, Mauth, Dario, Rahe, Christiane, Scheurer, Christoph
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8585443/
https://www.ncbi.nlm.nih.gov/pubmed/34772156
http://dx.doi.org/10.3390/ma14216633

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8585443/
https://www.ncbi.nlm.nih.gov/pubmed/34772156
http://dx.doi.org/10.3390/ma14216633

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