QM Modeling 2

Tuesday, 3 October 2017: 10:00-12:00
National Harbor 4 (Gaylord National Resort and Convention Center)
10:00
2027
(Invited) Toward Design Principles for Anion Exchange Membranes with High Hydroxide Conductivity
M. E. Tuckerman, T. E. Zelovich, and Z. E. Long (New York University)
10:40
2028
Understanding and Designing Novel H- Ionic Conductors Based on First Principles Calculations
Q. Bai and Y. Mo (University of Maryland, College Park)
11:00
2029
Dissipative Particle Dynamics Simulations of Anion Exchange Membranes
X. Luo (University of Tennessee), F. Sepehr (University of Tennessee, Knoxville), and S. J. Paddison (University of Tennessee)
11:20
2030
Theoretical Investigations on Proton Conductance and Degradation Mechanisms of Nafion Membrane in Fuel Cells
T. Tsuneda, R. K. Singh, K. Kunimatsu (University of Yamanashi, Japan), A. Iiyama, and K. Miyatake (Fuel Cell Nanomaterials Center, University of Yamanashi)
11:40
2031
Density Functional Theory Study of the Interactions of OH and Cl with the Pristine and Defective Surfaces of α-Fe2O3 (0001)
Q. Pang, H. DorMohammad, O. B. Isgor, and L. Árnadóttir (Oregon State University)
See more of: L07: Computational Electrochemistry
See more of: Physical and Analytical Electrochemistry, Electrocatalysis, and Photoelectrochemistry
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