First-principles study of the H2 splitting processes on pure and transition-metal-doped Al (111) surfaces

Article ID	Journal	Published Year	Pages	File Type
1271938	International Journal of Hydrogen Energy	2011	11 Pages	PDF

Abstract

âº We corrected the reaction pathway of the Hydrogen splitting process on Al (111) surface. âº The origin of the catalysis effect of transition metal elements has been examined. âº The potential hydrogen reduction process on partially oxidized Al (111) surface has been examined.

Keywords

DFT Aluminum first-principles calculation Surface Hydrogen

Related Topics

Physical Sciences and Engineering Chemistry Electrochemistry

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First-principles study of the H2 splitting processes on pure and transition-metal-doped Al (111) surfaces

Authors

Qi Peng, Gang Chen, Lijing Kang, Hiroshi Mizuseki, Yoshiyuki Kawazoe,