Computational Theory for Energy Issues (II)

Tuesday, June 7, 2011: 1:30 PM-5:20 PM
Ambassador Ballroom 3 (Detroit Marriott Hotel at the Renaissance Center )
Galen B. Fisher and Johannes W. Schwank
Manos Mavrikakis and William F. Schneider
1:30 PM
Catalysis for sustainable energy
Jens K. Norskov, Stanford University
2:10 PM
First principle study of photoinduced water-splitting on Fe2O3
Raj Pala, Indian Institute of Technology; Anders Hellman Sr., Chalmers University of Technology
2:30 PM
Multiple Stimuli Driven Catalysis: Catalytic Processes at Lower Temperatures Driven by Solar and Thermal Energy
Phillip Christopher, University of Michigan; Hongliang Xin, University of Michigan; Suljo Linic, University of Michigan
2:50 PM
Hydrogen Induced Reconstruction for Supported Pt Clusters: Metal-support Interaction versus Surface Hydride
Christophe Mager-Maury, IFP Energies Nouvelles; Céline Chizallet, IFP Energies Nouvelles; Pascal Raybaud, IFP Energies Nouvelles; Philippe Sautet, University of Lyon
3:10 PM
3:40 PM
Developing Relationships between the Local Geometry Structure and Chemical Reactivity of Alloy Catalysts based on their Measured Electronic Structure
Hongliang Xin, University of Michigan; Neil M. Schweitzer, University of Michigan; Eranda Nikolla, California Institute of Technology; Suljo Linic, University of Michigan
4:00 PM
Understanding XANES of Supported Pt Particles: Size, Adsorbate and Alloy Effects
Carolina Gomez, University of Illinois Chicago; Randall J. Meyer, University of Illinois Chicago
4:20 PM
Formation and Stabilization of Single Atom Pd Species on ZnO(10-10) – a Novel Mechanism for Metal-Support Interactions
Boris Kiefer, University of New Mexico; Barr Halevi, University of New Mexico; Andrew DeLaRiva, University of New Mexico; Lawrence F. Allard, Oak Ridge National Laboratory; Vanessa Lebarbier, Pacific Northwest National Laboratory; Yong Wang, Pacific Northwest National Laboratory; Abhaya K. Datye, University of New Mexico; Jingyue Liu, University of Missouri-St. Louis
4:40 PM
The energetics of water and methanol dissociation on Pt(111) by adsorption calorimetry
E. M. Karp, University of Washington; W. Lew, University of Washington; M.C. Crowe, University of Washington; T. L. Silbaugh, University of Washington; Charles T. Campbell, University of Washington
5:00 PM
Water adsorption and diffusion on Pt(111), kinks and steps
Líney Árnadóttir, Univerisity of Washington; Eric M. Stuve, Univerisity of Washington; Hannes Jónsson, Science Institute of the University of Iceland