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Abstract:
A theoretical study of the oxygen reduction mechanism catalyzed by cobalt-polypyrrole is investigated in detail by means of density functional theory method using the BLYP/DZP basis set. The calculations suggest that the cobalt-polypyrrole has a platinum-like catalytic behavior based on the adsorption energetics of the reaction intermediates. The dicobalt polypyrrole catalyst exhibits a higher catalytic activity than that of mono-cobalt-polypyrrole, due to the fact that the PPy chains in di-cobalt-polypyrrole have a regular structure.
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JOURNAL OF PHYSICAL CHEMISTRY C
ISSN: 1932-7447
Year: 2012
Issue: 23
Volume: 116
Page: 12553-12558
3 . 7 0 0
JCR@2022
ESI Discipline: PHYSICS;
JCR Journal Grade:1
CAS Journal Grade:2
Cited Count:
WoS CC Cited Count: 33
SCOPUS Cited Count: 36
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 8