Density functional theory investigation of mechanisms of degradation reactions of sulfonated PEEK membranes with H radicals in fuel cells: addition–elimination bond-breaking reactions in a model molecule

Author:

Stevens Jonathan E.ORCID,Utterbeck Kimberly D.,Piatkowski Alice,Spicer Malcolm N.

Funder

XSEDE

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry

Reference26 articles.

1. Panchenko A (2005) DFT investigation of the polymer electrolyte membrane degradation caused by OH radicals in fuel cells. J Membr Sci 278(2005):269–278

2. Meklief S, Saidur R, Safari A (2012) Comparative study of different fuel cell technologies. Renew Sustain Energy Rev 16:981–989

3. Gubler L, Nauser T, Coms FD, Lai Y-H, Gittleman CS (2018) Prospects for durable hydrocarbon-based fuel cell membranes. J Electrochem Soc 165:F3100–F3103

4. Miyahara T, Hayando T, Matsuno S, Watanabe M, Miyatake K (2012) Sulfonated polybenzophenone/poly(arylene ether) block copolymer membranes for fuel cell applications. Appl Mater Interfaces 4:2881–2884

5. Paddison SJ (2001) The modeling of molecular structure and ion transport in sulfonic acid based ionomer membranes. J New Mater Electrochem Syst 4:197–207

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