Predicting MSene monolayers as high-capacity and fast-charging anodes for lithium-ion batteries: a first-principles study

Qibin Xie

doi:10.1016/j.commatsci.2026.114729

Predicting MSene monolayers as high-capacity and fast-charging anodes for lithium-ion batteries: a first-principles study

2026-04-28

0

PRE

AI

Q

Qibin Xie

Z

Ziang Ren

S

Shihui Zou

P

Peng Shi

H

Huadong Yuan

J

Jianmin Luo

Y

Yujing Liu

J

Jianwei Nai

X

Xinyong Tao

Y

Yao Wang *

DOI：10.1016/j.commatsci.2026.114729

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Abstract

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• 1 T-MSene material exhibits excellent metallic conductivity combined with strong adsorption properties for lithium. • 1 T-MSene materials exhibit an exceptionally low barrier for lithium diffusion. • 1 T-MSene materials has a high theoretical capacity and suitable open-circuit voltage suitable for lithium-ion batteries.

Keywords:

T-MSene

lithium-ion batteries

high-capacity anode

fast-charging

first-principles study

Predicting MSene monolayers as high-capacity and fast-charging anodes for lithium-ion batteries: a first-principles study

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