Dynamics of proton transfer reactions on silicon surfaces: OH-dissociation of methanol and water on Si(001)

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Abstract

The reaction dynamics of methanol and water on Si(001) were investigated by means of molecular beam techniques. The initial sticking probability s0 was determined as a function of the kinetic energy of the incoming molecules, Ekin, and surface temperature, Ts. For both, methanol and water, a nonactivated reactional channel was observed; the dynamics were found to be determined by the reaction into the datively bonded intermediate state. A low conversion barrier was deduced for the conversion from this intermediate into the final state. It is attributed to the reaction mechanism, which proceeds via proton transfer from the OH-group of the datively bonded molecules to a Si surface atom. Despite this low conversion barrier, adsorption into the intermediate and further reaction via proton transfer were found to be largely decoupled.

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Bohamud, T., Reutzel, M., Dürr, M., & Höfer, U. (2019). Dynamics of proton transfer reactions on silicon surfaces: OH-dissociation of methanol and water on Si(001). Journal of Chemical Physics, 150(22). https://doi.org/10.1063/1.5092804

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