DFT - 2

Wednesday, 27 May 2015: 14:00-15:20
Conference Room 4K (Hilton Chicago)
Chairs:
Göran Wahnström and Stephen J. Paddison
14:00
1800
First Principles Calculations of Transition Metal Containment in Li-Ion Cathode Materials with Surface Coatings
D. H. Snydacker, S. J. Kirklin, and C. Wolverton (Northwestern University)
14:40
1801
Theoretical Study to Improve O → OH Reactions in the Fuel Cell ORR
T. H. Yu (California State University, Long Beach, California Institute of Technology), R. Torres (California State University, Long Beach), and W. A. Goddard III (California Institute of Technology)
15:00
1802
The Mechanism of Electrochemical Oxygen Reduction: A Combined DFT and in-Situ ATR-IR Study on Model Semiconductor Surfaces Ge(100) and ZnO
P. U. Biedermann, S. Nayak, and A. Erbe (Max-Planck-Institut fuer Eisenforschung GmbH)
See more of: L03: Computational Electrochemistry
See more of: Physical and Analytical Electrochemistry, Electrocatalysis, and Photoelectrochemistry
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