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|Type:||Artigo de periódico|
|Title:||SIMULATION OF HYDROGEN THERMAL-DESORPTION FROM TRANSITION-METALS USING A MULTIPLE-SITE HOPPING MODEL|
|Abstract:||A model to simulate thermal desorption is described. The model is applicable to systems where adsorbate-adsorbate lateral interactions are negligible and fast recombination occurs, as in the case of hydrogen desorption from transition metal surfaces. Thus, our model uses simple rules to simulate desorption. If two atoms are sitting in neighboring sites, then there is a high probability for the desorption of both to happen. If an atom does not have a neighbor, it will move to adjacent sites, in a random walk, until it finds a neighbor to recombine. The desorption rate plotted as a function of the logarithm of the number of random steps results in perfectly shaped Gaussian curves. Dimensionless curves of the rate versus the logarithm of the number of random steps were obtained for different coverages from 0.1 to 1.0 using this method. These curves are in perfect agreement with calculated curves for second-order desorption arising from the corresponding Polanyi-Wigner differential equation.|
|Editor:||Elsevier Science Bv|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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