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Title: Transitions between strongly correlated and random steady-states for catalytic CO-oxidation on surfaces at high-pressure

We explore simple lattice-gas reaction models for CO-oxidation on 1D and 2D periodic arrays of surface adsorption sites. The models are motivated by studies of CO-oxidation on RuO 2(110) at high-pressures. Although adspecies interactions are neglected, the effective absence of adspecies diffusion results in kinetically-induced spatial correlations. A transition occurs from a random mainly CO-populated steady-state at high CO-partial pressure p CO, to a strongly-correlated near-O-covered steady-state for low p CO as noted. In addition, we identify a second transition to a random near-O-covered steady-state at very low p CO.
Authors:
 [1] ;  [2]
  1. Ames Lab., Ames, IA (United States)
  2. Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)
Publication Date:
Report Number(s):
IS-J-8572
Journal ID: ISSN 0021-9606; JCPSA6
Grant/Contract Number:
AC02-07CH11358
Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 142; Journal Issue: 13; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; adsorption; surface reactions; spatial analysis; desorption; diffusion
OSTI Identifier:
1227291
Alternate Identifier(s):
OSTI ID: 1228180

Liu, Da -Jiang, and Evans, James W. Transitions between strongly correlated and random steady-states for catalytic CO-oxidation on surfaces at high-pressure. United States: N. p., Web. doi:10.1063/1.4916380.
Liu, Da -Jiang, & Evans, James W. Transitions between strongly correlated and random steady-states for catalytic CO-oxidation on surfaces at high-pressure. United States. doi:10.1063/1.4916380.
Liu, Da -Jiang, and Evans, James W. 2015. "Transitions between strongly correlated and random steady-states for catalytic CO-oxidation on surfaces at high-pressure". United States. doi:10.1063/1.4916380. https://www.osti.gov/servlets/purl/1227291.
@article{osti_1227291,
title = {Transitions between strongly correlated and random steady-states for catalytic CO-oxidation on surfaces at high-pressure},
author = {Liu, Da -Jiang and Evans, James W.},
abstractNote = {We explore simple lattice-gas reaction models for CO-oxidation on 1D and 2D periodic arrays of surface adsorption sites. The models are motivated by studies of CO-oxidation on RuO2(110) at high-pressures. Although adspecies interactions are neglected, the effective absence of adspecies diffusion results in kinetically-induced spatial correlations. A transition occurs from a random mainly CO-populated steady-state at high CO-partial pressure pCO, to a strongly-correlated near-O-covered steady-state for low pCO as noted. In addition, we identify a second transition to a random near-O-covered steady-state at very low pCO.},
doi = {10.1063/1.4916380},
journal = {Journal of Chemical Physics},
number = 13,
volume = 142,
place = {United States},
year = {2015},
month = {4}
}