Lattice-gas model of diffusion of NH3 on Re(0001)

Danani, A, Ferrando, R, Scalas, E, Torri, M and Brivio, G P (1995) Lattice-gas model of diffusion of NH3 on Re(0001). Chemical Physics Letters, 236 (6). pp. 533-537. ISSN 0009-2614

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A 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.

Item Type: Article
Schools and Departments: School of Mathematical and Physical Sciences > Mathematics
Subjects: Q Science > QA Mathematics > QA0273 Probabilities. Mathematical statistics
Q Science > QC Physics > QC0170 Atomic physics. Constitution and properties of matter Including molecular physics, relativity, quantum theory, and solid state physics
Depositing User: Enrico Scalas
Date Deposited: 03 Oct 2014 12:14
Last Modified: 03 Oct 2014 12:14
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