A DFT study of TiC3 as anode material for Li-ion batteries

Jongee Park, Syeda Afrinish Fatima

Applied Surface Science（2023）

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摘要

•TiC3 is predicted as a potential anodic material for Li-ion batteries.•TiC3 shows higher electrical conductivity and good mechanical stability.•The theoretical storage capacity of 1916 mAh/g and diffusion energy barrier of 0.25 eV are obtained.•The low open circuit voltage of 0.26 V will be beneficial for Li-ion batteries.

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关键词

First-principles,MXenes,TiC3, Li-ion batteries,Anode materials

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