QM Modeling 2

Tuesday, 3 October 2017: 10:00-12:00
National Harbor 4 (Gaylord National Resort and Convention Center)
10:00
(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
11:00
Dissipative Particle Dynamics Simulations of Anion Exchange Membranes
X. Luo (University of Tennessee), F. Sepehr, and S. J. Paddison (University of Tennessee, Knoxville)
11:20
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
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)