Adsorption of unsaturated aldehydes on the (111) surface of a Pt-Fe alloy catalyst from first principles

Journal of Catalysis

Volumn 217, Issue 2, 2003, Pages 354-366

  Hirschl, Robin ^a,b,c   Delbecq, Françoise ^a,b   Sautet, Philippe ^a,b   Hafner, Jürgen ^c  

^a CNRS   (France)

^b UNIVERSITÉ DE LYON   (France)

^c UNIVERSITY OF VIENNA   (Austria)

Author keywords

Adsorption; Alloy surface; Density functional theory; Iron; Platinum; Unsaturated aldehydes

Indexed keywords

ACROLEIN; ALCOHOL DERIVATIVE; ALDEHYDE DERIVATIVE; ALLOY; IRON; METAL; PLATINUM;

ADSORPTION; ARTICLE; ATOM; CATALYSIS; CATALYST; CHEMICAL BOND; DENSITY; ELECTRON; ENERGY; HYDROGENATION; MOLECULAR INTERACTION; POLARIZATION; SPECTRUM; SURFACE PROPERTY; THEORY; VIBRATION;

EID: 0038505336     PISSN: 00219517     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0021-9517(03)00057-5     Document Type: Article

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