First-principles study of biaxial strain effect on hydrogen adsorbed Mg (0001) surface

Journal of Physical Chemistry C

Volumn 116, Issue 28, 2012, Pages 14943-14949

  Tang, Jia Jun ^a   Yang, Xiao Bao ^a   Chen, Ming ^a   Zhu, Min ^a   Zhao, Yu Jun ^a  

^a SOUTH CHINA UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BIAXIAL STRAIN EFFECT; BIAXIAL STRAINS; BULK-LIKE; DENSITY-FUNCTIONAL THEORY CALCULATIONS; FIRST-PRINCIPLES STUDY; HYDROGEN ADSORPTION; HYDROGEN CHEMICAL POTENTIALS; HYDROGEN STORAGE MATERIALS; MAGNESIUM HYDRIDE; MG(0001) SURFACES; PURE MG; RELATIVE STABILITIES; STRUCTURAL STABILITIES; TRILAYERS;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; HYDRIDES; HYDROGEN; HYDROGEN STORAGE; LATTICE CONSTANTS; MAGNESIUM; PHASE DIAGRAMS; STABILITY;

STRAIN;

EID: 84863908324     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp303480c     Document Type: Article

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