In this work, zirconium atoms and size-selected molybdenum sulfide (MoxSy) clusters are deposited onto metal/graphite surfaces as model “inverse” catalysts for the study of CO2 hydrogenation. The control over the stoichiometry of clusters and the oxidation state of the metal centers enables the study of atomic level details such as identification of active sites, interfacial electron transfer and the role of sulfur vacancies. Recent AP-XPS and STM results of Zr atoms deposited on Cu2O/Cu(111) surface and TPD studies of alkali (K) promoted Mo6S8 clusters on Au(111)/ graphite surface will be presented. Reactivity studies over Zr/Cu2O/Cu(111) show that the formation of CO2-(ad) and HCOO- can be seen on regions with the presence of Zr atoms on Cu2O surface during the reaction condition(CO2/H2=1, total pressure=0.5torr), however CO2 only binds weakly on bare Cu2O/Cu(111) surface. TPD results of K doped Mo6S8 clusters show a promotional effect of K atoms for strengthening CO2 binding on Mo6S8, as well as a strong interaction between K atoms and the clusters. Some DFT studies of above systems will also be shown, including the electronic structures of clusters, binding sites of CO2 molecules, etc.

CO2 hydrogenation on supported metal sulfide/oxide clusters

2019 Fall National Meeting

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