Enhanced electrocatalytic activity of nitrogen-doped olympicene/graphene hybrids for the oxygen reduction reaction. Issue 33 (8th August 2016)

• Record Type: Journal Article
• Authors: Hou, Xiuli; Zhang, Peng; Li, Shuang; Liu, Wei
• Is Part Of: Physical chemistry chemical physics. Volume 18:Issue 33(2016)
• Page Start: 22799
• Page End: 22804
• Publication Date: 2016-08-08
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c6cp03451a
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : N-Doped olympicene/graphene hybrids are highly active for ORR and have good CO tolerance. Abstract : Developing inexpensive and non-precious metal electrocatalysts for the oxygen reduction reaction (ORR) is among the major goals in fuel cells. Herein, by using density-functional theory calculations, we show that N-doped olympicene/graphene hybrids exhibit unexpectedly high ORR catalytic activity—even comparable to that of the Pt(111) surface. Both graphitic-type and pyridine-type N-doped olympicene/graphene hybrids are highly active for the ORR and have good CO tolerance. The formation of the second H2 O molecule is the rate-determining step for the ORR with the graphitic-type hybrid, whereas on the pyridine-type hybrid, it is the formation of OOH. Note that N-doped olympicene/graphene hybrid materials combine the high reactivity of olympicene and the high electrical conductivity of graphene, which allows them to be potentially used as low-cost and non-precious-metal ORR catalysts.