AIMD - 2

Tuesday, 26 May 2015: 08:00-10:00
Conference Room 4K (Hilton Chicago)
Chairs:
Yue Qi and Stephen J. Paddison
08:00
1772
First-Principles Based Modeling of Structures and Processes at Electrochemical Electrode-Electrolyte Interfaces
A. Gross (Ulm University)
08:40
1773
Determining the Phase Stability and Oxygen Nonstoichiometry of Lanthanum Strontium Ferrite Structures By Combining Density Functional Theory and Thermodynamics
T. Das, J. D. Nicholas, and Y. Qi (Michigan State University)
09:00
1774
Structural Relaxation and Cation (Li+, H+, Na+) Diffusion in Crystalline Polymer Electrolytes: Ab Initio Molecular Dynamics Simulations
J. He and S. J. Paddison (University of Tennessee, Knoxville)
09:20
1775
Defect Chemistry of CeO2 Surfaces from First Principles and Space Charge Theory
T. S. Bjoerheim (University of Oslo), E. Kotomin, and J. Maier (Max Planck Institute for Solid State Research)
See more of: L03: Computational Electrochemistry
See more of: Physical and Analytical Electrochemistry, Electrocatalysis, and Photoelectrochemistry
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