Initial steps in methanol steam reforming on PdZn and ZnO surfaces: Density functional theory studies

Surface Science

Volumn 605, Issue 7-8, 2011, Pages 750-759

  Smith, Gregory K ^a   Lin, Sen ^a,b   Lai, Wenzhen ^a,b   Datye, Abhaya ^a,c   Xie, Daiqian ^b   Guo, Hua ^a  

^a UNIVERSITY OF NEW MEXICO   (United States)

^b NANJING UNIVERSITY   (China)

^c University of New Mexico   (United States)

Author keywords

DFT; Methanol steam reforming; PdZn; ZnO

Indexed keywords

DFT; DISSOCIATION BARRIER; FLAT SURFACES; GAIN INSIGHT; LOW TEMPERATURES; METHANOL STEAM REFORMING; PDZN; PDZN ALLOYS; PLANE WAVE DENSITY FUNCTIONAL THEORY; SELECTIVE CATALYSTS; ZNO; ZNO SURFACE;

CATALYSTS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; METHANOL; STEAM; STEAM ENGINEERING; SURFACE DEFECTS; ZINC OXIDE;

STEAM REFORMING;

EID: 79952361040     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2011.01.014     Document Type: Article

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