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

• Published in: Surface science Vol. 426; no. 3; pp. 345 - 357
• Main Author: Zhdanov, V.P.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 20.05.1999
• Subjects: Computer simulations; Models of surface chemical reactions; Surface reconstruction; Surface reconstruction; Computer simulations; Models of surface chemical reactions

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 emp...