Dynamics of molecule surface interactions

M. Karikorpi; S. Holloway; Niels Engholm Henriksen; Jens K. Nørskov

doi:10.1016/0039-6028(87)90111-7

Dynamics of molecule surface interactions

M. Karikorpi, S. Holloway, Niels Engholm Henriksen, Jens K. Nørskov

Research output: Contribution to journal › Letter › peer-review

Abstract

A multidimensional potential energy surface for the interaction of a diatomic molecule with a metal surface is presented. The potential includes the effects of an activation barrier to the adsorption process which has a value changing with position within the surface unit cell. The model accounts for recent experimental data for the diffraction of H2 beams with energy in excess of the measured activation barrier. Wavepacket calculations for the diffracted intensities show features which should make H2 diffraction experiments a detailed probe of the reactive-potential topology.

Original language	English
Journal	Surface Science
Volume	179
Issue number	1
Pages (from-to)	L41-L48
ISSN	0039-6028
DOIs	https://doi.org/10.1016/0039-6028(87)90111-7
Publication status	Published - 1987
Externally published	Yes

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title = "Dynamics of molecule surface interactions",

abstract = "A multidimensional potential energy surface for the interaction of a diatomic molecule with a metal surface is presented. The potential includes the effects of an activation barrier to the adsorption process which has a value changing with position within the surface unit cell. The model accounts for recent experimental data for the diffraction of H2 beams with energy in excess of the measured activation barrier. Wavepacket calculations for the diffracted intensities show features which should make H2 diffraction experiments a detailed probe of the reactive-potential topology.",

author = "M. Karikorpi and S. Holloway and Henriksen, {Niels Engholm} and N{\o}rskov, {Jens K.}",

year = "1987",

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T1 - Dynamics of molecule surface interactions

AU - Karikorpi, M.

AU - Holloway, S.

AU - Henriksen, Niels Engholm

AU - Nørskov, Jens K.

PY - 1987

Y1 - 1987

N2 - A multidimensional potential energy surface for the interaction of a diatomic molecule with a metal surface is presented. The potential includes the effects of an activation barrier to the adsorption process which has a value changing with position within the surface unit cell. The model accounts for recent experimental data for the diffraction of H2 beams with energy in excess of the measured activation barrier. Wavepacket calculations for the diffracted intensities show features which should make H2 diffraction experiments a detailed probe of the reactive-potential topology.

AB - A multidimensional potential energy surface for the interaction of a diatomic molecule with a metal surface is presented. The potential includes the effects of an activation barrier to the adsorption process which has a value changing with position within the surface unit cell. The model accounts for recent experimental data for the diffraction of H2 beams with energy in excess of the measured activation barrier. Wavepacket calculations for the diffracted intensities show features which should make H2 diffraction experiments a detailed probe of the reactive-potential topology.

U2 - 10.1016/0039-6028(87)90111-7

DO - 10.1016/0039-6028(87)90111-7

M3 - Letter

SN - 0039-6028

VL - 179

SP - L41-L48

JO - Surface Science

JF - Surface Science

IS - 1

ER -

Dynamics of molecule surface interactions

Abstract

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