Fluorinated Imidazoles as Proton Carriers for Water-Free Fuel Cell Membranes

Deng, Wei-Qiao and Molinero, Valeria and Goddard, William A., III (2004) Fluorinated Imidazoles as Proton Carriers for Water-Free Fuel Cell Membranes. Journal of the American Chemical Society, 126 (48). pp. 15644-15645. ISSN 0002-7863. doi:10.1021/ja046999y. https://resolver.caltech.edu/CaltechAUTHORS:20170420-115315852

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Abstract

We propose an alternative new material (2,4,5-trifluoroimidazole impregnated Nafion) for use as a high-temperature, water-free membrane for proton-exchange membrane fuel cells. This material has been tested computationally using molecular dynamics and quantum mechanics techniques, leading to an estimated conductivity of ∼0.06 S/cm at 177 °C. This material overcomes the weakness of the imidazole-impregnated membranes, i.e., the poisoning of the Pt electrode. We find that 2,4,5-trifluoroimidazole binds weakly to platinum surfaces, so poisoning is not expected.

Item Type:

Article

Related URLs:

URL	URL Type	Description
http://dx.doi.org/10.1021/ja046999y	DOI	Article
http://pubs.acs.org/doi/abs/10.1021/ja046999y	Publisher	Article
http://pubs.acs.org/doi/suppl/10.1021/ja046999y	Publisher	Supporting Information

ORCID:

Author	ORCID
Goddard, William A., III	0000-0003-0097-5716

Additional Information:

© 2004 American Chemical Society. Received 21 May 2004. Published online 11 November 2004. Published in print 1 December 2004. We thank Seung Soon Jang for his help with the Nafion model, and the reviewers' useful comments to improve the proton diffusion calculation method. This work was partially supported by DOE (DE-FC26-02NT41631) and ONR (N00014-02-1-0665). The facilities of the Materials and Process Simulation Center are supported by ONR-DURIP, ARO-DURIP, MURI-ARO, MURI-ONR, DOE (ASC, FETL), NSF (CHE), NIH, Aventis Pharma, Chevron Texaco, Nissan Corp., Berlix Biopharma, and Beckman Institute.

Funders:

Funding Agency	Grant Number
Department of Energy (DOE)	DE-FC26-02NT41631
Office of Naval Research (ONR)	N00014-02-1-0665
Army Research Office (ARO)	UNSPECIFIED
NSF	UNSPECIFIED
NIH	UNSPECIFIED
Aventis Pharma	UNSPECIFIED
Chevron Texaco	UNSPECIFIED
Nissan Corp.	UNSPECIFIED
Berlix Biopharma	UNSPECIFIED
Caltech Beckman Institute	UNSPECIFIED

Issue or Number:

DOI:

10.1021/ja046999y

Record Number:

CaltechAUTHORS:20170420-115315852

Persistent URL:

https://resolver.caltech.edu/CaltechAUTHORS:20170420-115315852

Official Citation:

Fluorinated Imidazoles as Proton Carriers for Water-Free Fuel Cell Membranes Wei-Qiao Deng, Valeria Molinero, and William A. Goddard III Journal of the American Chemical Society 2004 126 (48), 15644-15645 DOI: 10.1021/ja046999y

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ID Code:

76769

Collection:

CaltechAUTHORS

Deposited By:

Ruth Sustaita

Deposited On:

20 Apr 2017 21:43

Last Modified:

15 Nov 2021 17:02

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