Theory and experiment in adsorption and reaction on metal surfaces

J.W. Niemantsverdriet, R.A. Santen, van

Onderzoeksoutput: Hoofdstuk in Boek/Rapport/CongresprocedureConferentiebijdrageAcademic


Catalytic reactions are essentially a cycle of elementary steps. Modeling the kinetics of overall reactions requires that the rate parameters of these steps be known. Our research focuses on obtaining such parameters by a combination of surface science expts. on single crystals and computational chem. based on d.-functional theory and dynamic Monte-Carlo techniques. Examples to be discussed include elementary steps in the CO + NO reaction, such as dissocn. of NO, and the synthesis of ammonia, such as formation of NHx species and desorption of NH3. Surface reactions were monitored in real time by static secondary ion mass spectrometry, while dissocn. and formation reactions were modeled by d.-functional calcns. Finally, we discuss modeling of overall reactions on the surface, in which the prevailing lateral interactions are accounted for in Monte-Carlo simulations
Originele taal-2Engels
TitelAbstracts of papers, 219th ACS national meeting : San Francisco, CA, March 26 - 30, 2000
Plaats van productieWashington
UitgeverijAmerican Chemical Society
ISBN van geprinte versie0-8412-3731-X
StatusGepubliceerd - 2000
Evenement219th ACS National Meeting - San Francisco, CA, Verenigde Staten van Amerika
Duur: 26 mrt 200030 mrt 2000

Publicatie series

NaamAbstracts of Papers of the American Chemical Society
ISSN van geprinte versie0065-7727


Congres219th ACS National Meeting
LandVerenigde Staten van Amerika
StadSan Francisco, CA
AnderACS National Meeting ; 219 (San Francisco, Calif.) : 2000.03.26-30

Vingerafdruk Duik in de onderzoeksthema's van 'Theory and experiment in adsorption and reaction on metal surfaces'. Samen vormen ze een unieke vingerafdruk.

Citeer dit