The Journal of Chemical Physics · 1984 · 38 citations · 63 references
Natural SciencesMaterials SciencePhysicsChemical KineticsPhysical ChemistrySurface ScienceAtomistic ModelingAtomistic SimulationChemical Kinetics ModelingSurface AdsorptionSurface PhysicsThermal DesorptionAdsorption DynamicsDesorption DynamicsDesorption KineticsDesorption ProcessesMaster Equation ApproachesMaster Equation ModelsMaster EquationsThermal Desorption Kinetics
We use a quantum one-dimensional model to analyze numerically the kinetics of thermal desorption. The model consists of a master equation in which the adsorbed atom exchanges energy with the lattice and undergoes transitions between the states binding it to the surface. Desorption occurs when a transition promotes the atom into a continuum state. We analyze in detail both the properties of the transition rates from one state to another and the rate of desorption. The calculations use parameters which simulate noble gas desorption from tungsten and CO desorption from copper.
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Introduction to Solid State Physics
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