Exploring Electronic Effects in Selective Hydrogenation by (Ga,Sn)Pd2

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This project aims to determine quantitatively the electronic effects on the semi-hydrogenation of acetylene as industrially relevant model reaction using the intermetallic model catalyst (Ga,Sn)Pd2, where the electronic structure can be fine-tuned by partial substitution of Ga by Sn without structural change.As industrial catalysts are highly complex materials composed of supporting material, active component and multiple promoters, they are unsuitable for studies aiming at understanding of the underlying principles of heterogeneous catalysis. Thus, the proposed study combines materials in an as-simple-as-possible state e.g. large single crystals, normal-pressure catalytic studies, surface science studies under ultra-high vacuum as well as quantum chemical calculations of the bulk and surface properties to explore the electronic effects in the semi-hydrogenation.