Mechanism for Degradation of Nafion in PEM Fuel Cells from Quantum Mechanics Calculations.

We report results of quantum mechanics (QM) mechanistic studies of Nafion membrane degradation in a polymer electrolyte membrane (PEM) fuel cell. Experiments suggest that Nafion degradation is caused by generation of trace radical species (such as OH•, H•) only when in the presence of H, O, and Pt....

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 133; no. 49; pp. 19857 - 19864
Main Authors:	Yu, Ted H., Yao Sha, Wei-Guang Liu, Merinov, Boris V., Shirvanian, Pezhman, Goddard, III, William A.
Format:	Article
Published:	American Chemical Society 12/14/2011
Subjects:	Proton exchange membrane fuel cells Quantum theory Polyelectrolytes Density functionals Potential energy surfaces
Online Access:	View this record in EBSCOhost