Simulation of kinetic oscillations in catalytic reactions accompanied by adsorbate-induced surface restructuring

被引：41

作者：

Zhdanov, VP ^{[1
]}

机构：

[1] Chalmers Univ Technol, Dept Appl Phys, S-41296 Gothenburg, Sweden

[2] Russian Acad Sci, Boreskov Inst Catalysis, Novosibirsk 630090, Russia

来源：

SURFACE SCIENCE | 1999年 / 426卷 / 03期

关键词：

computer simulations; models of surface chemical reactions; surface reconstruction;

D O I：

10.1016/S0039-6028(99)00328-3

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：

We present Monte Carlo simulations of phase separation on the nanometer scale during kinetic oscillations in catalytic reactions accompanied by adsorbate-induced surface restructuring. As an example, we analyze the 2A + B-2 --> 2AB reaction mimicking CO oxidation on noble metals. The lattice-gas model employed to describe surface restructuring and the reaction steps takes into account substrate-substrate, substrate-adsorbate and adsorbate-adsorbate lateral interactions and predicts the formation of restructured islands even at low A coverages [as in the case of CO adsorption on Pt(100)]. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：345 / 357

页数：13

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