Density functional theory study of hydrogen sulfide dissociation on bi-metallic Ni-Mo catalysts

Surface Science

Volumn 600, Issue 16, 2006, Pages 3202-3216

  Albenze, Erik J ^a   Shamsi, Abolghasem ^b  

^a PARSONS CORPORATION   (United States)

^b NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

Author keywords

Ab initio quantum chemical methods and calculations; Atom solid interactions; Bi metallic surfaces; Catalysis; Hydrogen sulfide; Kinetics; Models of surface chemical reactions; Surface chemical reaction

Indexed keywords

ADSORPTION; BIMETALS; CATALYSTS; DISSOCIATION; MOLYBDENUM; NICKEL; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; SURFACE REACTIONS; SURFACE STRUCTURE;

AB INITIO QUANTUM CHEMICAL METHODS AND CALCULATIONS; ATOM-SOLID INTERACTIONS; BI-METALLIC SURFACES; MODELS OF SURFACE CHEMICAL REACTIONS; SURFACE CHEMICAL REACTION;

HYDROGEN SULFIDE;

EID: 33748030095     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2006.06.006     Document Type: Article

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