High-capacity hydrogen storage on Li-decorated B16N16

Song, Y; Chen, HS; Zhang, Y; Yin, YH

Song, Y (corresponding author), Northwest Normal Univ, Dept Phys, Coll Phys & Elect Engn, Lanzhou 730070, Peoples R China.

ENVIRONMENTAL PROGRESS & SUSTAINABLE ENERGY, ; ():

Abstract

The hydrogen adsorption on B16N16 clusters decorated by Li atoms is studied by density functional theory calculations. Li atoms transfer their electro......

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