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to experimental data. This technique relies on kinetic Monte Carlo simulations and requires an understanding of the lattice interactions of the adsorbed atoms. These interactions are described from first principles by the Lattice Gas Hamiltonian, which varies depending on the arrangement of the atoms. An example of this method used to investigate the desorption of oxygen from rhodium can be found in the following paper: "Kinetic Monte Carlo simulations of temperature programed desorption of O/Rh(111)".

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