A computational exploration of the oxygen reduction reaction over a carbon catalyst containing a phosphinate functional group
- 12 October 2010
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Chemical Communications
- Vol. 46 (45), 8621-8623
- https://doi.org/10.1039/c0cc03190a
Abstract
Oxygen reduction reaction (ORR) over a carbonaceous catalyst (1) with a phosphinate (>P(O)OH) moiety was explored computationally. Under the acidic environment of a fuel cell, 1 could be active for ORR and be converted to 2 with a >P(OH)2 moiety. An edge phosphinate could be active for both 2- and 4-electron ORR.Keywords
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