A computational exploration of the oxygen reduction reaction over a carbon catalyst containing a phosphinate functional group.
نویسندگان
چکیده
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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عنوان ژورنال:
- Chemical communications
دوره 46 45 شماره
صفحات -
تاریخ انتشار 2010