DFT - 1

Tuesday, 26 May 2015: 14:00-15:20
Conference Room 4K (Hilton Chicago)
Tor Svendsen Bjoerheim and Stephen J. Paddison
Theoretical Modeling of Defect Segregation and Space-Charge Formation in Proton-Conducting Barium Zirconate
E. Helgee, A. Lindman, and G. Wahnström (Department of Applied Physics, Chalmers University of Technology)
Improved Accuracy of Density Functional Theory Calculations for CO2 Reduction and Metal-Air Batteries
R. Christensen, H. A. Hansen, and T. Vegge (Technical University of Denmark)
Formic Acid Electrochemical Oxidation on Au25 and Pt@Au24 Nanocatalysts: A DFT Approach (Cancelled)