First-Principles and experimental studies of the sub-nanomenter platinum atoms supported on θ-alumina

The catalytic properties of noble metal clusters depend on their environment, however, little is known about the subnanometer noble metal particles, supported on metal oxide substrates which can also be experimentally synthesized. In this presentation, we describe the results of first-principles density functional theory (DFT) calculations of platinum atoms and clusters adsorbed on θ-Al₂O₃ (010) surface. Energetically, the most favorable bonding mode is where metal atom is two coordinate, in zero oxidation state, and occupies a position between two oxygen atoms above aluminum. This structure is different from that reported for metal atoms supported on α- or γ-alumina. The ongoing DFT studies of noble metal multi- atom clusters supported on research on θ-Al₂O₃ surface will also be presented. We will also report synthesis and characterization of platinum/θ-alumina system and its CO oxidation catalytic efficiency.