A computational exploration of the oxygen reduction reaction over a carbon catalyst containing a phosphinate functional group |
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| Authors: | Bao Xiaoguang von Deak Dieter Biddinger Elizabeth J Ozkan Umit S Hadad Christopher M |
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| Institution: | Department of Chemistry, The Ohio State University, Columbus, OH 43210, USA. |
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| 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. |
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