화학공학소재연구정보센터
Journal of Chemical Physics, Vol.114, No.12, 5351-5357, 2001
Simulation of CO adsorption and oxidation on Pt(110)
The clean Pt(110) surface exhibits missing-row (1 x 2) periodicity. CO adsorption on this surface may lift the (1 x 2) reconstruction. During CO oxidation, the interplay between the CO-induced surface restructuring and reaction steps may result in oscillations. Our Monte Carlo simulations, executed with a qualitatively correct ratio of the rates of elementary steps involved into the game, show that these phenomena can be described by using a lattice-gas model with Pt-Pt, Pt-CO, and CO-CO lateral interactions. (C) 2001 American Institute of Physics.