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

A. Danani; R. Ferrando; E. Scalas; M. Torri; G. P. Brivio

doi:10.1016/0009-2614(95)00240-5

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

A. Danani, R. Ferrando, E. Scalas, M. Torri, G. P. Brivio

Risultato della ricerca: Contributo su rivista › Articolo in rivista › peer review

Abstract

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.

Lingua originale	Inglese
pagine (da-a)	533-537
Numero di pagine	5
Rivista	Chemical Physics Letters
Volume	236
Numero di pubblicazione	6
DOI	https://doi.org/10.1016/0009-2614(95)00240-5
Stato di pubblicazione	Pubblicato - 28 apr 1995
Pubblicato esternamente	Sì

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10.1016/0009-2614(95)00240-5

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abstract = "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.",

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AU - Brivio, G. P.

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AB - 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.

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