@inproceedings{b2e50081dcc54cc0b4c152bf7a717b04,
title = "Theory and experiment in adsorption and reaction on metal surfaces",
abstract = "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",
author = "J.W. Niemantsverdriet and {Santen, van}, R.A.",
year = "2000",
language = "English",
isbn = "0-8412-3731-X",
series = "Abstracts of Papers of the American Chemical Society",
publisher = "American Chemical Society",
pages = "COLL--065",
booktitle = "Abstracts of papers, 219th ACS national meeting : San Francisco, CA, March 26 - 30, 2000",
address = "United States",
note = "219th ACS National Meeting ; Conference date: 26-03-2000 Through 30-03-2000",
}