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...

Full description

Saved in:
Bibliographic Details
Main Authors: Simon Anniés, Chiara Panosetti, Maria Voronenko, Dario Mauth, Christiane Rahe, Christoph Scheurer
Format: article
Language:EN
Published: MDPI AG 2021
Subjects:
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
Online Access:https://doaj.org/article/58759729fbe748958fb00d51f59983d8
Tags: Add Tag
No Tags, Be the first to tag this record!

Internet

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

Similar Items