Modeling of Interfaces

Monday, 30 May 2016: 13:30-15:40
Indigo 202 A (Hilton San Diego Bayfront)
Chair:
Shyue Ping Ong
13:30
406
(Invited) Critical Roles of Interface Engineering in All-Solid-State Li-Ion Batteries: Insights from First Principles Calculations
Y. Mo (University of Maryland, College Park)
14:00
407
Elucidating the Effects of Additives on the Lipon/Electrode Interface, with a Focus on Mechanical Strain Effect
K. Thai and E. Lee (University of Alabama in Huntsville)
14:20
408
Using Physics-Based Models and Redox Shuttles to Investigate the Effects of FEC on Electrode Passivation
R. Jaini and T. F. Fuller (Georgia Institute of Technology)
14:40
409
Lithium Ion Solvation and Intercalation at Anode-Electrolyte Interface from First Principles
M. T. Ong, V. Lordi, E. W. Draeger, and J. E. Pask (Lawrence Livermore National Laboratory)
15:00
410
A DFT Study of CO2-H2 Co-Adsorption on Ni/YSZ(111) for Solid Oxide Fuel Cell Applications
A. Essadek (University College London), A. Roldan Martinez, and N. de Leeuw (Cardiff University)
15:20
411
Molecular Dynamic Study of Gadolinium-Doped Ceria and Yttria Stabilized Zirconia Grain Boundaries
X. Aparicio Angles (University College London) and N. H. de Leeuw (Cardiff University, University College London)
See more of: A04: Battery Modeling and Computation
See more of: Batteries and Energy Storage
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