Abstract
One dimensional (1D) metal-induced nanowires on a semiconductor surface have attracted enormous interest recently because of their unique electronic properties and great potential in device applications arising from the ideal 1D nature of the systems. Via ab initio modeling, we investigate for the first time the catalytic properties of Pt-induced nanowires (Pt-INWs) on a Ge(001) surface that have been successfully fabricated in experiments. We show that these 1D atomic wires can also be used as excellent catalysts for chemical reaction of CO oxidation. A new ground-state configuration of Pt-INWs on Ge (001) that is significantly more stable than previously reported ones is predicted. The origin of the low reaction barrier of the catalyzed CO oxidation is thoroughly discussed. These results pave the way for a new class of high-performance catalysts with 1D characteristics.
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