Fuel cells electrocatalysis with qm and ff

  • William A. Goddard

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

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.

Original languageEnglish
Title of host publicationSpringer Series in Materials Science
PublisherSpringer Science and Business Media Deutschland GmbH
Pages1249-1256
Number of pages8
DOIs
Publication statusPublished - 1 Jan 2021
Externally publishedYes

Publication series

NameSpringer Series in Materials Science
Volume284
ISSN (Print)0933-033X
ISSN (Electronic)2196-2812

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