Computational Studies on Battery and Fuel Cell Materials Poster Session

Wednesday, May 14, 2014: 18:00-20:00
Grand Foyer, Lobby Level (Hilton Orlando Bonnet Creek)
Chair:
Joshua Patrick McClure
694
Dynamics of Deposited Li2O2 on Cathode Surface in Li-O2 Battery by First-Principles Molecular Dynamics
W. Yamamoto, M. K. Alam, and H. Takaba (Kogakuin University)
695
Computational Thermodynamic Modeling of Mixed Polyanion Glasses for Lithium Ion Battery Cathode Materials
D. Shin, A. K. Kercher, J. Kiggans Jr., and N. J. Dudney (Oak Ridge National Laboratory)
696
Enhanced Direct Oxidation of Formic Acid and Its Underlying Mechanism in the Ag-Pd Core-Shell Nanocatalyst: A First-Principles Study
J. Cho, S. Lee, S. P. Yoon, J. Han, S. W. Nam, and H. C. Ham (Korea Institute of Science and Technology (KIST))
697
The Predicted Crystal Structure of Metastrengite I FePO4∙2H2o and Its Importance in Li-Ion Battery Systems
S. Kim, L. Ward, K. Michel (Department of Materials Science and Engineering, Northwestern University), C. Wolverton (Northwestern University), E. J. Shin, H. S. Kim (Center for Energy Convergence, Korea Institute of Science and Technology), and B. W. Cho (Korea Institute of Science and Technology)
698
Modeling of Transport Mechanisms of OH- in Electrolyte of Alkaline Fuel Cell
H. Takaba, N. Shimizu (Kogakuin University), T. Hisabe (Kogakuin University, Japan), and M. K. Alam (Kogakuin University)
699
Atomistic Simulation Studies of TiO2 Nanosheets
P. E. Ngoepe (Materials Modelling Centre, Univeristy of Limpopo, Private Bag x1106, Sovenga, 0727, South Africa.), M. G. Matshaba (University of Limpopo), and D. C. Sayle (University of Kent)
See more of: F2: Computational Studies on Battery and Fuel Cell Materials
See more of: Fuel Cells, Electrolyzers, and Energy Conversion
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