Computational Understanding of Delithiation, Overlithiation, and Transport Properties in Disordered Cubic Rock-Salt Type Li<sub>2</sub>TiS<sub>3</sub>

Computational Understanding of Delithiation, Overlithiation, and Transport Properties in Disordered Cubic Rock-Salt Type Li<sub>2</sub>TiS<sub>3</sub>

Lithium–titanium–sulfur cathodes have gained attention because of their unique properties and have been studied for their application in lithium-ion batteries. They offer different advantages such as lower cost, higher safety, and higher energy density with respect to commonly adopted transition met...

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Bibliographic Details
Main Authors:	Riccardo Rocca, Mauro Francesco Sgroi, Maddalena D’amore, Nello Li Pira, Anna Maria Ferrari
Format:	Article
Language:	English
Published:	MDPI AG 2023-11-01
Series:	Nanomaterials
Subjects:	DFT Li-ion batteries CRYSTAL delithiation diffusion coefficient Raman
Online Access:	https://www.mdpi.com/2079-4991/13/23/3013

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