Understanding the selectivity of methanol steam reforming on the (1 1 1) surfaces of NiZn, PdZn and PtZn: Insights from DFT

Journal of Catalysis

Volumn 330, Issue , 2015, Pages 6-18

  Krajci M ^a   Tsai, A P ^b   Hafner, J ^c  

^a INSTITUTE OF PHYSICS   (Slovakia)

^b TOHOKU UNIVERSITY   (Japan)

^c UNIVERSITY OF VIENNA   (Austria)

Author keywords

Density functional theory; Intermetallic compounds; Methanol steam reforming; NiZn; PdZn; PtZn; Selectivity

Indexed keywords

ACTIVATION ENERGY; CATALYSTS; DENSITY FUNCTIONAL THEORY; FORMALDEHYDE; INTERMETALLICS; METHANOL; REACTION INTERMEDIATES; STEAM REFORMING;

ADSORPTION SITE; METHANOL STEAM REFORMING; NIZN; PDZN; PRODUCTION OF CO; PTZN; TETRAGONAL DEFORMATION; WEAK ADSORPTION;

CATALYST SELECTIVITY;

EID: 84937239250     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2015.06.020     Document Type: Article

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