Comparative studies of CO and H 2O interactions with Pd(111) surface: A theoretical study of poisoning

Applied Physics Letters

Volumn 88, Issue 5, 2006, Pages 1-3

  Alfonso, Dominic R ^a,b  

^a NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

^b PARSONS CORPORATION   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; FACILE PROCESS; POISONING EFFECTS; POISONS;

ADSORPTION; BINDING ENERGY; CARBON MONOXIDE; DISSOCIATION; PALLADIUM; SURFACE PROPERTIES; WATER;

INDUSTRIAL POISONS;

EID: 31944441853     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2170428     Document Type: Article

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27. k is calculated using transition state theory, k=ν exp (- Ea RT). R, T, Ea and ν are the gas constant, temperature, energy barrier, and pre-exponential rate, respectively. ν set to 1013 s-1.