Theoretical study on chemical degradation mechanism of Nafion side chain by the attack of OH radical in polymer electrolyte fuel cell

T. Ishimoto, T. Ogura, Michihisa Koyama

Research output: Chapter in Book/Report/Conference proceedingConference contribution

6 Citations (Scopus)

Abstract

We theoretically analyzed the chemical degradation mechanism of Nafion side chain by OH radicals on the basis of density functional theory calculations. We found that the cleavage of the C-O bond in ether groups is a main pathway of the degradation from the Nafion side chain by OH radicals under well-hydrated condition. The ether group, which is located near the sulfo group, is vulnerable to the OH radical attack rather than the other ether group connecting the side chain with the polymer main chain.

Original languageEnglish
Title of host publicationComputational Electrochemistry
Pages1-6
Number of pages6
Edition27
DOIs
Publication statusPublished - Dec 1 2011
EventComputational Electrochemistry - 219th ECS Meeting - Montreal, QC, Canada
Duration: May 1 2011May 6 2011

Publication series

NameECS Transactions
Number27
Volume35
ISSN (Print)1938-5862
ISSN (Electronic)1938-6737

Other

OtherComputational Electrochemistry - 219th ECS Meeting
CountryCanada
CityMontreal, QC
Period5/1/115/6/11

Fingerprint

Fuel cells
Ethers
Electrolytes
Degradation
Polymers
Density functional theory

All Science Journal Classification (ASJC) codes

  • Engineering(all)

Cite this

Ishimoto, T., Ogura, T., & Koyama, M. (2011). Theoretical study on chemical degradation mechanism of Nafion side chain by the attack of OH radical in polymer electrolyte fuel cell. In Computational Electrochemistry (27 ed., pp. 1-6). (ECS Transactions; Vol. 35, No. 27). https://doi.org/10.1149/1.3643346

Theoretical study on chemical degradation mechanism of Nafion side chain by the attack of OH radical in polymer electrolyte fuel cell. / Ishimoto, T.; Ogura, T.; Koyama, Michihisa.

Computational Electrochemistry. 27. ed. 2011. p. 1-6 (ECS Transactions; Vol. 35, No. 27).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Ishimoto, T, Ogura, T & Koyama, M 2011, Theoretical study on chemical degradation mechanism of Nafion side chain by the attack of OH radical in polymer electrolyte fuel cell. in Computational Electrochemistry. 27 edn, ECS Transactions, no. 27, vol. 35, pp. 1-6, Computational Electrochemistry - 219th ECS Meeting, Montreal, QC, Canada, 5/1/11. https://doi.org/10.1149/1.3643346
Ishimoto T, Ogura T, Koyama M. Theoretical study on chemical degradation mechanism of Nafion side chain by the attack of OH radical in polymer electrolyte fuel cell. In Computational Electrochemistry. 27 ed. 2011. p. 1-6. (ECS Transactions; 27). https://doi.org/10.1149/1.3643346
Ishimoto, T. ; Ogura, T. ; Koyama, Michihisa. / Theoretical study on chemical degradation mechanism of Nafion side chain by the attack of OH radical in polymer electrolyte fuel cell. Computational Electrochemistry. 27. ed. 2011. pp. 1-6 (ECS Transactions; 27).
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