Theory and Modeling

Wednesday, 31 May 2017: 08:40-12:00
Grand Salon B - Section 10 (Hilton New Orleans Riverside)
Chairs:
Eugene Kotomin and Dane Morgan
08:40
1583
(Invited) Descriptors, Defects, and DFT for Solid Oxide Fuel Cell Materials
D. Morgan, T. Mayeshiba, S. Xu, R. Jacobs (University of Wisconsin - Madison), W. Xie (University of California, Berkeley), Y. L. Lee (US Dept of Energy: National Energy Technology Laboratory), and Y. Shao-Horn (EEL/Massachusetts Institute of Technology)
09:20
1584
Nanoscopic Ni Interfaced with Oxygen Conductive Supports: Link between Electrochemical and Catalytic Studies
Y. M. Hajar, M. S. E. Houache, U. Tariq (University of Ottawa), P. Vernoux (CNRS-IRCELYON), and E. A. Baranova (University of Ottawa)
09:40
Break
10:00
1585
(Invited) The Effect of (La,Sr)MnO3 Cathode Surface Termination on Its Electronic Structure
E. Kotomin, R. Merkle (Max Planck Institute for solid state research), Y. Mastrikov (Institute for solid state physics, University of Latvia), M. Kuklja (University of Maryland), and J. Maier (Max Planck Institute for solid state research)
10:40
1586
First-Principles Study on Oxygen Reduction Reaction over La1-xSrxCoO3-δ
M. Koyama (INAMORI Frontier Research Center, Kyushu University) and T. Ishimoto (Hiroshima University)
11:20
1587
Understanding Charge Transfer at Mg/MgH2 Interfaces for Hydrogen Storage
S. Kang, T. Ogitsu, S. A. Bonev, T. W. Heo (Lawrence Livermore National Laboratory), M. D. Allendorf (Sandia National Laboratories, Livermore, CA 94551-0969), and B. C. Wood (Lawrence Livermore National Laboratory)
11:40
1588
Correlating the Onset of CO Disproportionation to Surface Chemistry on Ceria
J. Wang (Massachusetts Institute of Technology), S. R. Bishop (Kyushu University), Q. Lu, L. Sun (Massachusetts Institute of Technology), N. Tsvetkov (Massachusetts Institute of Technology, Cambridge, MA), G. Vardar, R. Bliem, M. Jansen (Massachusetts Institute of Technology), J. J. Gallet, F. Bournel (Synchrotron SOLEIL), I. Waluyo (Brookhaven National Laboratory), E. J. Crumlin (Advanced Light Source - LBNL), and B. Yildiz (Massachusetts Institute of Technology)
See more of: I04: Solid-Gas Electrochemical Interfaces 2 - SGEI 2
See more of: Fuel Cells, Electrolyzers, and Energy Conversion
<< Previous Session | Next Session >>