화학공학소재연구정보센터
Journal of Vacuum Science & Technology A, Vol.21, No.4, 1284-1289, 2003
Kinetic Monte Carlo simulations of the autocatalytic adsorption effect: CO on ZnO
An increase in the coverage dependent adsorption probability with increasing coverage, i.e., an autocatalytic adsorption phenomenon, has frequently been observed. We present a time dependent (kinetic) Monte Carlo simulation scheme which can also account for this phenomenon. The scheme is tested for different adsorption scenarios and, is compared with experimental results of CO adsorption on polar ZnO surfaces [T. Becker et al., J. Chem. Phy. 113, 6334 (2000)]. (C) 2003 American Vacuum Society.