Density functional theory calculations for evaluation of phosphorene as a potential anode material for magnesium batteries

RSC Advances - Tập 8 Số 13 - Trang 7196-7204
Xinpeng Han1,2,3,4, Cheng Liu1,2,3,4, Austin D. Sendek5,6,7, Wensheng Yang8,9,10,11
1China
2School of Chemical Engineering and Technology, Tianjin University, Tianjin, China
3Tianjin
4Tianjin University
5Department of Applied Physics, Stanford University, Stanford, California, 94305 USA
6Stanford
7Stanford University
8Beijing 100029
9Beijing University of Chemical Technology
10P. R. China
11State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, P. R. China

Tóm tắt

Phosphorene adsorbs Mg to form a stable product MgP2, delivering a theoretical specific capacity of 865 mA h g−1.

Từ khóa


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