2023
DOI: 10.1038/s41598-023-42954-w
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Effect of alloying Li on lithium-ion batteries applicability of two-dimensional TiN and TiC as novel electrode materials: a first principle study

Fatemeh Shirvani,
Mohammad Reza Jafari,
Aliasghar Shokri

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 $$x=0.125$$ x = 0.125 , 0.25, 0.375, and 0.5 have been considered and the stability of the alloys has been prove… Show more

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Cited by 8 publications
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