Precursor-Mediated Molecular Chemisorption and Thermal Desorption: The Interrelationships among Energetics, Kinetics, and Adsorbate Lattice Structure

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Abstract
Precursor-mediated molecular chemisorption and thermal desorption are examined by means of a lattice-gas model using a combination of time-dependent Monte Carlo simulations and deterministic rate equations. Lateral interactions between coadsorbates are assumed to be both pairwise additive and limited in range to nearest and next-nearest neighbors. The interrelationships among kinetics, energetics, and adsorbate overlayer structures are analyzed in detail. The method is applied to the interaction of molecular nitrogen with the Ru(001) surface.