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

Da-Jiang Liu, James W. Evans
2015 Journal of Chemical Physics  
CO 2 desorption dynamics on specified sites and surface phase transitions of Pt(110) in steady-state CO oxidation J. Chem. Phys. 119, 9829 (2003); 10.1063/1.1615473 CO oxidation on thin Pt crystals: Temperature slaving and the derivation of lumped models 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 O 2 adsorption and recombinative desorption (at low rate), and CO + O
more » ... n to form CO 2 . Adspecies interactions are neglected, and adspecies diffusion is effectively absent. The models are motivated by studies of CO-oxidation on RuO 2 (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, p CO , to a strongly correlated near-O-covered steady-state for low p CO 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 p CO . Furthermore, we identify and analyze the slow "diffusive dynamics" for very low p CO 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. C 2015 AIP Publishing LLC. [http://dx.
doi:10.1063/1.4916380 pmid:25854254 fatcat:6l7u2eyfgvgezk6ivaur4z5iry