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Lattice-gas model of diffusion of NH3 on Re(0001)
journal contribution
posted on 2023-06-08, 18:28 authored by A Danani, R Ferrando, Enrico Scalas, M Torri, G P BrivioA lattice-gas model for the chemical diffusion of NH3 on Re(0001) is presented. The system is modelled as a triangular lattice gas with nearest-neighbour repulsive lateral interactions. The average jump rate and the static structure factor are calculated within the cluster variation method framework by using a cluster of seven sites. Then the chemical diffusion coefficient is evaluated in the Darken approximation. This results in the jump rate and diffusion coefficient strongly increasing with coverage in agreement with experimental measurements.
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Publication status
- Published
Journal
Chemical Physics LettersISSN
0009-2614Publisher
ElsevierExternal DOI
Issue
6Volume
236Page range
533-537Department affiliated with
- Mathematics Publications
Full text available
- No
Peer reviewed?
- Yes
Legacy Posted Date
2014-10-03Usage metrics
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