LATTICE-GAS MODEL OF DIFFUSION OF NH3 ON RE(0001)

被引：13

作者：

DANANI, A

FERRANDO, R

SCALAS, E

TORRI, M

BRIVIO, GP

机构：

[1] POLITECN TORINO, DIPARTIMENTO FIS, I-10129 TURIN, ITALY

[2] UNIV GENOA, CNR, CFSBT, DIPARTIMENTO FIS, I-16146 GENOA, ITALY

[3] UNITA INFM, I-16146 GENOA, ITALY

[4] UNIV TRIESTE, DIPARTMENTO FIS, I-34127 TRIESTE, ITALY

来源：

CHEMICAL PHYSICS LETTERS | 1995年 / 236卷 / 06期

关键词：

D O I：

10.1016/0009-2614(95)00240-5

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：533 / 537

页数：5

共 31 条

[1] A NOTE ON THE CLUSTER VARIATION METHOD [J].