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Theoretical investigation of the surface orientation impact on the hydrogen vacancy formation of MgH2

Chen, WY; Tang, JJ; Lu, ZW; Huang, MX; Liu, L; He, CC; Zhao, YJ

Zhao, YJ (corresponding author), South China Univ Technol, Dept Phys, Guangzhou 510640, Peoples R China.; Zhao, YJ (corresponding author), South China Univ Technol, Key Lab Adv Energy Storage Mat Guangdong Prov, Guangzhou 510640, Guangdong, Peoples R China.

SURFACE SCIENCE, 2021; 710 ():

Abstract

MgH2 is one of the most promising materials for solid-state hydrogen storage, but its slow kinetics and relatively high dehydrogenation temperature ha......

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