Effect of alloying Li on lithium-ion batteries applicability of two-dimensional TiN and TiC as novel electrode materials: a first principle study

Abstract The two-dimensional structures of transition metal nitride and carbide, TiN, and TiC have been alloyed with lithium (Li) in replacement of Ti, and their Li-ion applicability has been investigated using density functional theory and general gradient approximation. The alloy composition of $$...

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Bibliographic Details
Main Authors: Fatemeh Shirvani, Mohammad Reza Jafari, Aliasghar Shokri
Format: Article
Language:English
Published: Nature Portfolio 2023-09-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-023-42954-w