Computational Studies on Battery and Fuel Cell Materials - Fuel Oxidation

Tuesday, May 13, 2014: 14:00-17:00
Indian River, Ground Level (Hilton Orlando Bonnet Creek)
Chairs:
Yui Whei Chen-Yang and D. Chu
14:00
686
A Combined First-Principles Molecular Dynamics/Density-Functional Theory Study of Ammonia Electrooxidation on Pt(1 0 0) Electrode
D. Skachkov, V. R. Chitturi, and Y. Ishikawa (Department of Chemistry and the Chemical Physics Program, University of Puerto Rico, San Juan, PR 00936, USA)
14:20
687
Density Functional Theory Studies of Formic Acid Oxidation on Pd (111), (100) and (110) Facet
S. Huang (Department of Chemistry, Nanjing University of Science and Technology) and C. Hu (Key Laboratory for Soft Chemistry and Functional Materials of Ministry Education, Nanjing University of Science and Technology, Nanjing, China.)
14:40
688
Development of Novel High Efficiency Single-Layer Gas Diffusion Layers for Proton Exchange Membrane Fuel Cell
H. F. Lee and Y. W. Chen-Yang (Chung Yuan Christian University)
15:00
689
Electrochemical Double Layers in Electrochemical Energy Storage and Conversion: A Multiscale Simulation Study
A. A. Franco, T. K. Nguyen, K. H. Xue, M. Quiroga, and H. Huang (Laboratoire de Réactivité et de Chimie des Solides - Université de Picardie Jules Verne & CNRS UMR 7314, Réseau sur le Stockage Electrochimique de l’Energie (RS2E), FR CNRS 3459)
15:20
Break
15:40
690
Density Functional Theory Study of the Alkali Metal Cation Adsorption on Pt(111), Pt(100), and Pt(110) Surfaces
I. Matanovic (University of New Mexico), P. Atanassov (University of New Mexico, Center for Emerging Energy Technologies), F. Garzon, and N. J. Henson (Los Alamos National Laboratory)
 
691
Oxygen Bubble Nucleation Modeling in a PEM Electrolyzer Electrode (Cancelled)
16:00
692
Local Proton Conductance in the Proton Exchange Membranes: A Density Functional Study
R. K. Singh, T. Tsuneda, K. Miyatake (Fuel Cell Nanomaterials Center, University of Yamanashi, Japan), and M. Watanabe (Fuel Cell Nanomaterials Center, University of Yamanashi)
16:40
693
In Silico Based Rank Order Determination of Electrolytes for Sodium Ion Battery Applications
G. Kamath (University of Missouri), R. Cutler, R. Parrish, H. Xiong (Boise State University), and S. Sankaranarayanan (Argonne National Laboratory)
See more of: F2: Computational Studies on Battery and Fuel Cell Materials
See more of: Fuel Cells, Electrolyzers, and Energy Conversion
<< Previous Session | Next Session >>