Issue 9, 2003

Simulation of the NO + CO oscillatory reaction on reconstructed Pt(100)

Abstract

The catalytic reduction of nitric oxide by carbon monoxide on the Pt(100) surface is studied by a simulation method in which experimentally accessible parameters, such as temperature, partial pressures, adsorption/desorption energies, are explicitly introduced. The algorithm is able to exhibit the existence of a narrow upper temperature window, where substrate-induced sustained temporal oscillations in the rate formation of CO2 are found, in qualitative agreement with experiments. The formation of restructured islands is also observed in the oscillatory region, both for the substrate and the species lattices. As the temperature is increased, a single period doubling in the rate oscillations is found at the upper boundary of the oscillatory window, before chaotic oscillations settle in, while experiments show a cascade of period doubling toward chaos. The analysis of the calculated adsorbate coverage oscillatory timesequences indicate rather that the period doubling observed here may not belong to a Feigenbaum-scenario route toward chaos.

Article information

Article type
Paper
Submitted
13 Jan 2003
Accepted
18 Mar 2003
First published
31 Mar 2003

Phys. Chem. Chem. Phys., 2003,5, 1888-1896

Simulation of the NO + CO oscillatory reaction on reconstructed Pt(100)

A. Perera and L. Vicente, Phys. Chem. Chem. Phys., 2003, 5, 1888 DOI: 10.1039/B300329A

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