Abstract
Temperature-programmed dynamic Monte Carlo simulations describe the time evolution of adsorption and desorption of molecular oxygen, its dissociation, and atomic oxygen diffusion. A hexagonal lattice containing six adsorption sites per unit cell represents the Pt(1 1 1) surface. The temperature is increased linearly with time, starting with an empty initial surface. Temperature effects on the rate of molecular oxygen adsorption are incorporated through the temperature dependence of the O 2 sticking coefficient and that of the flux of molecules impinging the surface at a given pressure. The results illustrate the mechanisms by which molecular oxygen cannot be adsorbed at temperatures above 155 K.
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