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...
Main Authors: | , , , , , , , |
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Format: | Article |
Language: | English |
Published: |
Frontiers Media S.A.
2021-05-01
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Series: | Frontiers in Chemistry |
Subjects: | |
Online Access: | https://www.frontiersin.org/articles/10.3389/fchem.2021.677620/full |