Abstract
Hydrogen dissociation on silicon surfaces is strongly activated both by kinetic energy of the H2 molecules as well as by surface temperature. The latter effect is correlated to the covalent nature of the Si–Si and Si–H bonds with its strong localization of electronic density and a concomitant large lattice distortion in the transition state of the reaction. As a consequence, dynamical lattice distortions can create pathways with increased reactivity, similar to static lattice distortions at steps or defects. The resulting broad distribution of adsorption barriers at elevated surface temperature converts into a low mean translational energy in desorption.
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Dürr, M., Höfer, U. (2013). Reaction Dynamics of Molecular Hydrogen on Silicon Surfaces: Importance of Lattice Degrees of Freedom. In: Díez Muiño, R., Busnengo, H. (eds) Dynamics of Gas-Surface Interactions. Springer Series in Surface Sciences, vol 50. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-32955-5_10
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DOI: https://doi.org/10.1007/978-3-642-32955-5_10
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