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)
Joshua Patrick McClure
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)
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))
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)
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)
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)