OF31 Formation and Stabilization of Single Atom Pd Species on ZnO(10-10) a Novel Mechanism for Metal-Support Interactions

Tuesday, June 7, 2011: 4:20 PM
Ambassador Ballroom 3 (Detroit Marriott Hotel at the Renaissance Center )
Boris Kiefer1, Barr Halevi1, Andrew DeLaRiva1, Lawrence F. Allard2, Vanessa Lebarbier3, Yong Wang4, Abhaya K. Datye5 and Jingyue Liu6, (1)Center for Micro-Engineered Materials, University of New Mexico, Albuquerque, NM, (2)Materials Science & Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN, (3)Pacific Northwest National Laboratory, Richland, WA, (4)Institute for Interfacial Catalysis, Pacific Northwest National Laboratory, Richland, WA, (5)Chemical & Nuclear Engineering and Center For Microengineered Materials, University of New Mexico, Albuquerque, NM, (6)Center for Nanoscience and Department of Chemistry & Biochemistry and Department of Physics and Astronomy, University of Missouri-St. Louis, St. Louis, MO
The results of the present DFT study show that ZnO vacancies on ZnO(10-10) provide a competitive mechanism for stabilizing the Pd single atom species at elevated temperatures. This prediction suggests a novel form of metal-support interaction where metal atoms get incorporated into the support and modify its catalytic behavior.

Extended Abstracts: