Modelling the interaction of silane and disilane with Si{100}(2×1) using classical many-body potentials
作者： Roger Smith , P.E Rhodes , J.M Walls
DOI: 10.1016/S0927-0256(97)00194-8
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摘要: Abstract Molecular dynamics computer simulations have been carried out in order to study the interaction of silane and disilane with dimer reconstructed Si{100}(2×1) surface. The results compared experimental investigations using scanning tunnelling microscope. binding energies molecules surface are calculated mechanisms by which interacting dissociate on contact discussed. show that, at a high temperature, favoured outcome is for break into two separate can further dissociate. Such mechanism has identified experimentally room temperature.
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