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
- 1 January 1989
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 90 (1), 540-547
- https://doi.org/10.1063/1.456505
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.Keywords
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