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Monolayer black phosphorus as potential anode materials for Mg-ion batteries
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Journal Article
Monolayer black phosphorus as potential anode materials for Mg-ion batteries
2016
Overview
Adsorption and diffusion of Mg atom on the monolayer black phosphorus (P) and its structural stability with the increasing Mg concentrations were investigated using density functional theory. The adsorption energy was −1.09 eV for the Mg adsorbed on the monolayer black P. The Mg ions showed an anisotropic diffusion behavior on the monolayer black P with diffusion barriers of 0.08 and 0.57 eV along the zigzag and armchair directions, respectively. The monolayer of black P can keep the lattice structure stable forming as the Mg₀.₅P. These results proved that the monolayer black P can be used as a potential anode for Mg-ion batteries.
Publisher
Springer US,Springer,Springer Nature B.V
