CaltechAUTHORS
Published January 26, 2021 | Version public
Book Section - Chapter Metadata-only

Fuel Cells Electrocatalysis with QM and FF

Creators

  • 1. ROR icon California Institute of Technology

Contributors

Abstract

Our studies on hydrogen PEM fuel cells have focused on the Oxygen Reduction Reaction (ORR), which is currently the biggest obstacle to wide spread application, and the role of the Nafion electrolyte in proton conduction and degradation. The big breakthrough here was full solvent (5 layers) solvation, which required ReaxFF to pre-equilibrate the system.

Additional Information

© Springer Nature Switzerland AG 2021. First Online: 26 January 2021.

Additional details

Identifiers

Eprint ID
107762
Resolver ID
CaltechAUTHORS:20210127-081738476

Dates

Created
2021-01-27
Created from EPrint's datestamp field
Updated
2021-11-16
Created from EPrint's last_modified field

Caltech Custom Metadata

Series Name
Springer Series in Materials Science
Series Volume or Issue Number
284
Other Numbering System Name
WAG
Other Numbering System Identifier
1459