First-Principles Investigation of Dehydrogenation on Cu-Doped MgH2 (001) and (110) Surfaces

Hai-Chen Wang , Dong-Hai Wu , Liu-Ting Wei , and Bi-Yu Tang 
J. Phys. Chem. C, Article ASAP
DOI: 10.1021/jp502031h
Publication Date (Web): June 9, 2014