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À propos de : Monomer Adsorption on Terraces and Nanotubes        

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  • Monomer Adsorption on Terraces and Nanotubes
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  • We construct a nonsparse transfer matrix (T-matrix) for a lattice gas model of monomers adsorbed on planar andnanotube surfaces of arbitrary geometry. The model can accommodate any number of higher-order pairwise adsorbate−adsorbate interactions. The technique is sufficiently general for application to nonequivalent adsorption sites andcoadsorption of two or more monomer species. The T-matrices for monomer adsorption on a finite width terrace andfor monomer adsorption on a nanotube, both of the same lattice geometry, share a basic G-matrix. First, the G-matrixis diagrammatically and recursively constructed. Then, its elements are modified to provide the T-matrix elementsfor either the terrace or the nanotube. The T-matrices for several particular lattice geometries previously studied asspecial cases are easily recovered with the generalized technique presented here. This generalization also providesa vectorized algorithm for efficient use on multi-parallel processors and supercomputers.
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