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

Research output: Contribution to journal › Article › 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.

Original language	English
Pages (from-to)	533-537
Number of pages	5
Journal	Chemical Physics Letters
Volume	236
Issue number	6
DOIs	https://doi.org/10.1016/0009-2614(95)00240-5
Publication status	Published - 28 Apr 1995
Externally published	Yes

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10.1016/0009-2614(95)00240-5

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title = "Lattice-gas model of diffusion of NH3 on Re(0001)",

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.",

author = "A. Danani and R. Ferrando and E. Scalas and M. Torri and Brivio, \{G. P.\}",

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T1 - Lattice-gas model of diffusion of NH3 on Re(0001)

AU - Danani, A.

AU - Ferrando, R.

AU - Scalas, E.

AU - Torri, M.

AU - Brivio, G. P.

PY - 1995/4/28

Y1 - 1995/4/28

N2 - 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.

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.

UR - https://www.scopus.com/pages/publications/0000101290

U2 - 10.1016/0009-2614(95)00240-5

DO - 10.1016/0009-2614(95)00240-5

M3 - Article

SN - 0009-2614

VL - 236

SP - 533

EP - 537

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 6

ER -

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

Abstract

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