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First principles based theory and applications to understanding and developing improved catalysts and membranes for fuel cells

Goddard, William A., III and Merinov, Boris and Tsai, Ho-Cheng and Fortunelli, Alessandro and Nielsen, Robert and Yu, Ted (2014) First principles based theory and applications to understanding and developing improved catalysts and membranes for fuel cells. In: 247th ACS National Meeting & Exposition, 16-20 March 2014, Dallas, TX. https://resolver.caltech.edu/CaltechAUTHORS:20140423-111155116

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Abstract

We will summarize recent advances in First-principles based methods for characterizing and improving the performance of fuel cells, with topics selected from the effect of alloys on the reaction mechanism for the Oxygen Redn. Reaction (ORR), the structure and performance of the electrolyte membranes, the ReaxFF reactive force for atomistic descriptions of the reactive and transport properties.


Item Type:Conference or Workshop Item (Paper)
Related URLs:
URLURL TypeDescription
https://www.acs.org/content/acs/en/meetings/spring-2014.htmlOrganizationConference Website
ORCID:
AuthorORCID
Goddard, William A., III0000-0003-0097-5716
Merinov, Boris0000-0002-2783-4262
Fortunelli, Alessandro0000-0001-5337-4450
Nielsen, Robert0000-0002-7962-0186
Yu, Ted0000-0003-3202-0981
Additional Information:© 2014 American Chemical Society.
Record Number:CaltechAUTHORS:20140423-111155116
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20140423-111155116
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:45143
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:23 Apr 2014 19:34
Last Modified:31 Jan 2020 22:14

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