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
Stevens, JE; Utterbeck, KD; Piatkowski, A; Spicer, MN
| HERO ID | 5227254 |
|---|---|
| In Press | No |
| Year | 2018 |
| Title | 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 |
| Authors | Stevens, JE; Utterbeck, KD; Piatkowski, A; Spicer, MN |
| Journal | Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) |
| Volume | 137 |
| Issue | 7 |
| Doi | 10.1007/s00214-018-2281-5 |
| Wosid | WOS:000437749000001 |
| Url | http://link.springer.com/10.1007/s00214-018-2281-5 |
| Is Certified Translation | No |
| Dupe Override | No |
| Is Public | Yes |
| Keyword | Density functional theory; M062X; Fuel cell membrane; sPEEK |