TY - JOUR
T1 - First-Principles and experimental studies of the sub-nanomenter platinum atoms supported on θ-alumina
AU - Narula, Chaitanya K.
AU - Chen, Xingqui
AU - Stocks, Malcolm G.
AU - Debusk, Melanie
AU - Allard, Lawrence F.
PY - 2010
Y1 - 2010
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=79951476459&partnerID=8YFLogxK
M3 - Conference article
AN - SCOPUS:79951476459
SN - 0065-7727
JO - ACS National Meeting Book of Abstracts
JF - ACS National Meeting Book of Abstracts
T2 - 240th ACS National Meeting and Exposition
Y2 - 22 August 2010 through 26 August 2010
ER -