A density functional study of atomic oxygen and water molecule adsorption on Ni(1 1 1) and chromium-substituted Ni(1 1 1) surfaces

Applied Surface Science

Volumn 258, Issue 1, 2011, Pages 442-447

  Das, Nishith Kumar ^a   Shoji, Tetsuo ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

Adsorption; Density functional theory; Ni based alloy

Indexed keywords

ADSORPTION; ATOMS; BINARY ALLOYS; CHARGE TRANSFER; CHEMICAL BONDS; CHROMIUM; GAS ADSORPTION; MOLECULES; NICKEL ALLOYS; OXYGEN;

ABSORPTION ENERGIES; ATOMIC OXYGEN ADSORPTION; DENSITY-FUNCTIONAL STUDY; GENERALIZED GRADIENT APPROXIMATIONS; LOCAL DENSITY OF STATE; NI BASED ALLOY; SURFACE ADSORPTION ENERGIES; WATER ADSORPTION;

DENSITY FUNCTIONAL THEORY;

EID: 80054751567     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2011.08.107     Document Type: Article

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