Chemisorption and diffusion of hydrogen on surface and subsurface sites of flat and stepped nickel surfaces

Journal of Chemical Physics

Volumn 122, Issue 20, 2005, Pages

  Bhatia, Bhawna ^a   Sholl, David S ^a,b  

^a CARNEGIE MELLON UNIVERSITY   (United States)

^b NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EFFECTIVE MEDIUM THEORY (EMT); GENERALIZED GRADIENT APPROXIMATION (GGA); PROJECTED AUGMENTED WAVE (PAW); SUBSURFACE SITES;

ADSORPTION; ALGORITHMS; BINDING ENERGY; CALCULATIONS; CHEMISORPTION; COMPUTER SIMULATION; DIFFUSION; HYDROGEN; PROBABILITY DENSITY FUNCTION; SURFACE PROPERTIES;

NICKEL COMPOUNDS;

EID: 20844436500     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1902943     Document Type: Article

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