Monolayer Black Phosphorus as Potential Anode Materials for Mg-Ion Batteries

Jin, Wei, Wang, Zhiguo and Fu, Yong Qing (2016) Monolayer Black Phosphorus as Potential Anode Materials for Mg-Ion Batteries. Journal of Materials Science, 51 (15). pp. 7355-7360. ISSN 0022-2461

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Official URL: http://dx.doi.org/10.1007/s10853-016-0023-4

Abstract

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.

Item Type: Article
Subjects: F200 Materials Science
H600 Electronic and Electrical Engineering
Department: Faculties > Engineering and Environment > Mathematics, Physics and Electrical Engineering
Depositing User: Ay Okpokam
Date Deposited: 10 May 2016 10:15
Last Modified: 03 Nov 2017 14:44
URI: http://nrl.northumbria.ac.uk/id/eprint/26735

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