Modeing of Electrochemisty and Interfaces II

Wednesday, October 14, 2015: 14:00-17:40
101-B (Phoenix Convention Center)
Chairs:
Perla B Balbuena and Oleg Borodin
14:00
184
(Invited) Predicting the Properties of Interfaces Between Electrolytes and Electrodes: Condensed Matter Physics Meets Electrochemistry
G. Galli (University of Chicago)
14:40
185
(Invited) Bias Potential Controlled First-Principles Calculations in Batteries and Energy Storage Devices
M. Otani (AIST)
15:20
186
(Invited) Computational Insight and Design of Cathode Materials and Electrolytes for Li-O2 Batteries
L. Curtiss, K. C. Lau, R. Assary (Materials Science Division, Argonne National Laboratory), M. Welland, L. Liang, P. Redfern (Argonne National Laboratory), and D. Wolf (Argonne National Laboratory)
16:00
Break
16:20
187
(Invited) Density Functional Theory Modeling of Coupled Mechanical/Electrochemical Interfacial Processes during Li-Insertion into Silicon Anode
K. Leung (Sandia National Laboratories), F. Soto (Texas A&M University), and P. B. Balbuena (Texas A&M University)
17:00
188
Compare the Electronic Insulating Abilities of Inorganic Components in Solid Electrolyte Interphase (SEI): A First Principles Study
Y. Lin (Michigan State University) and Y. Qi (Michigan State University)
17:20
189
First-Principles Based Modeling of Li-Metal/Solid-Electrolyte Interfaces in Application to Li-Batteries
T. Cheng (California Institute of Technology), B. V. Merinov, B. Kozinsky (Robert Bosch Research and Technology Center), and W. A. Goddard III (California Institute of Technology)
See more of: A02: Batteries - Theory, Modeling, and Simulation
See more of: Batteries and Energy Storage
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