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Article
Transitions between strongly correlated and random steady-states for catalytic CO-oxidation on surfaces at high-pressure
Journal of Chemical Physics
  • Da-Jiang Liu, Iowa State University
  • James W. Evans, Iowa State University
Document Type
Article
Publication Version
Published Version
Publication Date
4-1-2015
DOI
10.1063/1.4916380
Abstract
We explore simple lattice-gas reaction models for CO-oxidation on 1D and 2D periodic arrays of surface adsorption sites with CO adsorption and desorption, dissociative O2 adsorption and recombinative desorption (at low rate), and CO + O reaction to form CO2. Adspecies interactions are neglected, and adspecies diffusion is effectively absent. The models are motivated by studies of CO-oxidation on RuO2(110) at high-pressures. Despite the lack of adspecies interactions, negligible adspecies diffusion results in kinetically induced spatial correlations. A transition occurs from a random primarily CO-populated steady-state at high CO-partial pressure, pCO, to a strongly correlated near-O-covered steady-state for low pCO as noted by Matera et al. [J. Chem. Phys. 134, 064713 (2011)]. In addition, we identify a second transition to a random near-O-covered steady-state at very low pCO. Furthermore, we identify and analyze the slow "diffusive dynamics" for very low pCO and provide a detailed characterization of the crossover to the strongly correlated O-covered steady-state as well as of the spatial correlations in that state.
Comments

The following article appeared in Journal of Chemical Physics 142, 13 (2015): 134703 and may be found at doi: 10.1063/1.4916380.

Rights
Copyright 2015 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
Copyright Owner
American Institute of Physics
Language
en
File Format
application/pdf
Citation Information
Da-Jiang Liu and James W. Evans. "Transitions between strongly correlated and random steady-states for catalytic CO-oxidation on surfaces at high-pressure" Journal of Chemical Physics Vol. 142 Iss. 13 (2015) p. 134703-1 - 134703-15
Available at: http://works.bepress.com/james-evans/88/