Computational Materials Design and Mechanisms Understanding II

Thursday, October 15, 2015: 14:00-16:40
101-B (Phoenix Convention Center)
Chair:
Nav Nidhi Rajput
14:00
198
(Invited) Insights into Solvation, Dynamics and Stability of Electrolytes for the Design of Novel Multivalent Systems from Coupled Molecular Dynamics and First-Principles Modeling
K. A. Persson, N. N. Rajput (Lawrence Berkeley National Laboratory, Joint Center for Energy Storage Research), and X. Qu (Joint Center for Energy Storage Research (JCESR))
14:40
199
Computational Study of  Li2SnO3 and Li2SnS3
J. D. Howard (Wake Forest University) and N. A. W. Holzwarth (Wake Forest University)
15:00
200
Thermodynamics and Kinetics of the Multi-Electron ε-VOPO4 cathode Across Two Lithium Insertion
Y. C. Lin (NECCES at Univeristy of California, San Diego), B. Wen, N. F. Quackenbush, L. F. J. Piper (NECCES at Binghamton University), M. S. Whittingham (NECCES at Binghamton University), and S. P. Ong (NECCES at University of California, San Diego)
15:20
201
Mg Desolvation and Intercalation Mechanism at the Mo6S8 Chevrel Phase Surface
L. Wan (Lawrence Berkeley National Laboratory), B. R. Perdue (Sandia National Laboratories), C. A. Apblett (University of New Mexico), and D. Prendergast (Lawrence Berkeley National Laboratory)
15:40
202
Effective Ionic Resistance in Battery Separators
J. Hattendorff, J. Landesfeind, A. Ehrl (Technische Universität München), W. A. Wall (Technische Universität München), and H. A. Gasteiger (Technical University of Munich)
16:00
203
(Invited) Reversible Co-Intercalation of Sodium and Solvent in Graphite
H. Kim (Seoul National University), J. Hong (Seoul National University), G. Yoon (Seoul National University, Center for nanoparticle research, IBS), H. Kim (Department of Energy Science, Sungkyunkwan University), K. Y. Park (Seoul National University), M. S. Park (Korea Electronics Technology Institute), W. S. Yoon (Department of Energy Science, Sungkyunkwan University), and K. Kang (Center for Nanoparticles Research, IBS)
See more of: A02: Batteries - Theory, Modeling, and Simulation
See more of: Batteries and Energy Storage
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