Mechanistic switch between oxidative (andrussow) and nonoxidative (degussa) formation of HCN on Pt(111) by density functional theory

Journal of Physical Chemistry C

Volumn 115, Issue 13, 2011, Pages 5667-5674

  Gómez Díaz, Jaime ^a   López, Nria ^a  

^a INSTITUTE OF CHEMICAL RESEARCH OF CATALONIA ICIQ   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BOND FORMATION; DEGUSSA; DFT CALCULATION; DIFFERENT MECHANISMS; EFFECT OF OXYGEN; FREE SURFACES; NON-OXIDATIVE; NONOXIDATIVE CONDITION; OXYGEN-RICH CONDITIONS; PT(111); REACTION MECHANISM; REACTION NETWORK; REACTION PATHS; RELATIVE STABILITIES;

CHEMICAL BONDS; DEHYDROGENATION; METHANE; OXYGEN; PLATINUM;

DENSITY FUNCTIONAL THEORY;

EID: 79953683742     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp1093349     Document Type: Article

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