Metal-Ions Intercalation Mechanism in Layered Anode From First-Principles Calculation

Metal-Ions Intercalation Mechanism in Layered Anode From First-Principles Calculation

Layered structure (MoS2) has the potential use as an anode in metal-ions (M-ions) batteries. Here, first-principles calculations are used to systematically investigate the diffusion mechanisms and structural changes of MoS2 as anode in lithium (Li)-, sodium (Na)-, magnesium (Mg)- and Zinc (Zn)-ions...

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Bibliographic Details
Main Authors: Junbo Zhang, Xiaodong Lu, Jingjing Zhang, Han Li, Bowen Huang, Bingbing Chen, Jianqiu Zhou, Suming Jing
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-05-01
Series:Frontiers in Chemistry
Subjects:
layer structure
first-principles
metal-ions battery
structural evolution
MoS2
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2021.677620/full

Internet

https://www.frontiersin.org/articles/10.3389/fchem.2021.677620/full

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