The (2 1 0) surface of intermetallic B20 compound GaPd as a selective hydrogenation catalyst: A DFT study

Journal of Catalysis

Volumn 295, Issue , 2012, Pages 70-80

  Krajci M ^a   Hafner, J ^b  

^a INSTITUTE OF PHYSICS   (Slovakia)

^b UNIVERSITY OF VIENNA   (Austria)

Author keywords

Catalysis; Density functional theory; GaPd; Hydrogenation; Intermetallic compounds; Selectivity

Indexed keywords

ACTIVE COMPOUNDS; ACTIVE SITE; ACTIVE SURFACES; BRIDGE SITES; CORRUGATED SURFACES; DENSITY-FUNCTIONAL STUDY; DESORPTION ENERGY; DFT STUDY; DISSOCIATIVE ADSORPTION; GAPD; HYDROCARBON SPECIES; HYDROGENATION PROCESS; PD ATOMS; PD CATALYST; RATE-CONTROLLING STEPS; SELECTIVE HYDROGENATION; TRANSITION METAL ATOMS; TRIANGULAR ARRANGEMENTS;

ACETYLENE; ACTIVATION ENERGY; ALUMINUM; ATOMS; CATALYSIS; COBALT COMPOUNDS; DENSITY FUNCTIONAL THEORY; DESORPTION; ETHYLENE; GALLIUM; GAS ADSORPTION; HYDROGEN; HYDROGENATION; INTERMETALLICS; LIGHTING; PALLADIUM; TRANSITION METALS;

CATALYST SELECTIVITY;

EID: 84867572741     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2012.07.025     Document Type: Article

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