Adsorption of Pd, Pt, Cu, Ag, and Au monomers on NiAl(110) surface: A comparative study from DFT calculations

Journal of Physical Chemistry A

Volumn 118, Issue 31, 2014, Pages 5748-5755

  San Miguel, Miguel A ^a   Amorim, Edgard P M ^b   Da Silva, E Z ^c  

^a UNIVERSITY OF SEVILLE   (Spain)

^b SANTA CATARINA STATE UNIVERSITY   (Brazil)

^c UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONEGATIVITY; ELECTRONIC PROPERTIES; NICKEL; PLATINUM; POLARIZATION; WORK FUNCTION;

COMPARATIVE STUDIES; COORDINATED SITES; ENERGETIC AND ELECTRONIC PROPERTIES; FIRST-PRINCIPLES CALCULATION; NEGATIVELY CHARGED; PERIODIC DENSITY FUNCTIONAL THEORY; POLARIZATION EFFECT; TRANSITION METAL ATOMS;

SILVER;

EID: 84903754926     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp405877k     Document Type: Article

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