DOI: 10.1063/1.454372. Quantum-mechanical scattering of H2 from metal surfaces: Diffraction and dissociative adsorption

Quantum-mechanical scattering of H2 from metal surfaces: Diffraction and dissociative adsorption

10.1063/1.454372

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Some theoretical and experimental aspects of the interaction of H2 with metal surfaces are reviewed. A variety of model potential energy surfaces based on simple extensions to the Lennard-Jones model are presented. These potentials include activation barriers which vary across the surface unit cell giving rise to a variety of physically interesting and realistic topologies. The quantum-mechanical scattering of hydrogen and its isotopes from these potentials illustrate that it is possible, in a very simple way, to account for simultaneous sticking and diffraction at a single beam energy. The inclusion of tunneling in a realistic description of initial sticking coefficients is shown to be essential for these light gases. Finally, it is proposed that by inverting diffraction data, it should be possible to obtain key information regarding the form of the potential energy surface.

Bibliography

Halstead, D., & Holloway, S. (1988). Quantum-mechanical scattering of H2 from metal surfaces: Diffraction and dissociative adsorption. The Journal of Chemical Physics, 88(11), 7197â7208.

Authors 2

D. Halstead (first)
S. Holloway (additional)

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 9:22 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 2:53 a.m.)
Indexed	1 year, 6 months ago (Feb. 11, 2024, 6:22 a.m.)
Issued	37 years, 3 months ago (June 1, 1988)
Published	37 years, 3 months ago (June 1, 1988)
Published Print	37 years, 3 months ago (June 1, 1988)

Funders 0

None

BibTeX

@article{Halstead_1988, title={Quantum-mechanical scattering of H2 from metal surfaces: Diffraction and dissociative adsorption}, volume={88}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.454372}, DOI={10.1063/1.454372}, number={11}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Halstead, D. and Holloway, S.}, year={1988}, month=jun, pages={7197–7208} }

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