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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.

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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.

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Goddard, William A., III0000-0003-0097-5716
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.
Funding AgencyGrant Number
Department of Energy (DOE)DE-FC26-02NT41631
Office of Naval Research (ONR)N00014-02-1-0665
Army Research Office (ARO)UNSPECIFIED
Berlix BiopharmaUNSPECIFIED
Caltech Beckman InstituteUNSPECIFIED
Issue or Number:48
Record Number:CaltechAUTHORS:20170420-115315852
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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
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:76769
Deposited By: Ruth Sustaita
Deposited On:20 Apr 2017 21:43
Last Modified:15 Nov 2021 17:02

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