MODELING OF THERMAL DESORPTION SPECTRA OF BENZENE OBSERVED DURING 1,4-CYCLOHEXADIENE DEHYDROGENATION ON Si(001)
A kinetic model of 1,4-cyclohexadiene adsorption monolayer on Si(001) surface that takes into account the possibility of π-, di-σ- and tetra-σ adsorption complexes formation, repulsive interactions between the adsorbed molecules. The simplest kinetic equations and Monte Carlo method with the lattice gas model were used to study the thermal stability of the adlayer, the dependence of adsorption state of the molecule on temperature and surface coverage. Different dehydrogenation mechanisms of 1,4-cyclohexadiene to benzene was studied.