Hydrogen motion on a Cu surface: A model study of the rate of single and double site-to-site jumps and the role of the motion perpendicular to the surface
10.1063/1.456505
Crossref journal-article
AIP Publishing
The Journal of Chemical Physics (317)
Abstract

We use the Miller, Schwartz, and Tromp flux–flux correlation function formula to calculate the rate coefficient for site-to-site hopping by an adsorbed hydrogen atom on Cu(100). We examine several one- and two-dimensional models with a rigid surface. We reach several qualitative conclusions which are relevant to real systems: the motion perpendicular to the surface plays a very important role in determining the site-to-site hopping rate; there is substantial barrier recrossing which makes transition state theory inaccurate; at moderate temperatures multiple jumps become important.

Bibliography

Haug, K., Wahnström, G., & Metiu, H. (1989). Hydrogen motion on a Cu surface: A model study of the rate of single and double site-to-site jumps and the role of the motion perpendicular to the surface. The Journal of Chemical Physics, 90(1), 540–547.

Authors 3
  1. Kenneth Haug (first)
  2. Göran Wahnström (additional)
  3. Horia Metiu (additional)
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Dates
Type When
Created 23 years, 1 month ago (July 26, 2002, 9:20 a.m.)
Deposited 1 year, 6 months ago (Feb. 10, 2024, 4:03 a.m.)
Indexed 1 year, 6 months ago (Feb. 11, 2024, 2:32 a.m.)
Issued 36 years, 7 months ago (Jan. 1, 1989)
Published 36 years, 7 months ago (Jan. 1, 1989)
Published Print 36 years, 7 months ago (Jan. 1, 1989)
Funders 0

None

@article{Haug_1989, title={Hydrogen motion on a Cu surface: A model study of the rate of single and double site-to-site jumps and the role of the motion perpendicular to the surface}, volume={90}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.456505}, DOI={10.1063/1.456505}, number={1}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Haug, Kenneth and Wahnström, Göran and Metiu, Horia}, year={1989}, month=jan, pages={540–547} }