Výsledky vyhledávání - "C. G. M. Hermse"

Combining density-functional calculations with kinetic models: NO/Rh(111)

Autor: A. P. van Bavel, C. G. M. Hermse, R.A. van Santen, Apj Tonek Jansen, F G Frechard, J.W. Niemantsverdriet, Johan J. Lukkien

Publikováno v: Journal of Chemical Physics, 118(15), 7081-7089. American Chemical Society

We present a dynamic Monte-Carlo model involving lateral interactions and different adsorption sites (top, fcc and hcp). Using this model in combination with kinetic parameters from UHV experiments and lateral interactions derived from DFT calculatio

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c0528a1966d9797d6d0fd114eefc549f
https://research.tue.nl/en/publications/89e12b3f-34ac-4ab8-9a58-1277134f50ee

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Kinetics of Surface Reactions with Lateral Interactions — Theory and Simulations

Autor: C. G. M. Hermse, A. P. J. Jansen

Publikováno v: ChemInform. 37

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::106214da5c43d73d89f884f4692f170d
https://doi.org/10.1002/chin.200643259

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Quantifying lateral adsorbate interactions by kinetic Monte-Carlo simulations and density-functional theory : NO dissociation on Rh(100)

Autor: M. J. P. Hopstaken, J.W. Niemantsverdriet, Antonius P. J. Jansen, Johan J. Lukkien, Peter A. J. Hilbers, A. P. van Bavel, C. G. M. Hermse

Publikováno v: Physical Chemistry Chemical Physics, 6(8), 1830-1836. Royal Society of Chemistry

The dissociation of NO on Rh(100) surfaces has been modelled by kinetic Monte-Carlo (MC) simulations including nearest neighbour (NN) and next-nearest neighbour (NNN) interactions, and zero-coverage kinetic parameters obtained from experiments. Two a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b63d59113609801f6dcae33ca882af4d
https://research.tue.nl/nl/publications/1fb549c9-47fe-4341-99db-b6c47aa6d874

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Akademický článek

Quantifying lateral adsorbate interactions by kinetic Monte-Carlo simulations and density-functional theory: NO dissociation on Rh(100).

Autor: A. P. van Bavel, C. G. M. Hermse, M. J. P. Hopstaken, A. P. J. Jansen, J. J. Lukkien, P. A. J. Hilbers, J. W. Niemantsverdriet

Publikováno v: Physical Chemistry Chemical Physics (PCCP); Apr2004, Vol. 6 Issue 8, p1830-1836, 7p

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Akademický článek

Dynamics of CO at the solid/liquid interface studied by modeling and simulation of CO electro-oxidation on Pt and PtRu electrodes.

Autor: M. T. M. Koper, N. P. Lebedeva, C. G. M. Hermse

Publikováno v: Faraday Discussions; Aug2002, Vol. 121 Issue 1, p301-311, 11p

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