期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 136, 期 18, 页码 6542-6545出版社
AMER CHEMICAL SOC
DOI: 10.1021/ja500393g
关键词
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资金
- Elements Science and Technology Project on Nano-hybridized Precious-metal-free Catalysts for Chemical Energy Conversion
- World Premier International Research Center (WPI) Initiative on Materials Nanoarchitectonics
- Development of Environmental Technology using Nanotechnology
- Elements Strategy Initiative for Catalysts & Batteries (ESICB) from the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan
- Grants-in-Aid for Scientific Research [26288001] Funding Source: KAKEN
Boron nitride (BN), which is an insulator with a wide band gap, supported on Au is theoretically suggested and experimentally proved to act as an electrocatalyst for oxygen reduction reaction (ORR). Density-functional theory calculations show that the band gap of a free h-BN monolayer is 4.6 eV but a slight protrusion of the unoccupied BN states toward the Fermi level is observed if BN is supported on Au(III) due to the BN-Au interaction. A theoretically predicted metastable configuration of O-2 on h-BN/Au(III), which can serve as precursors for ORR, and free energy diagrams for ORR on h-BN/Au(III) via two- and four-electron pathways show that ORR to H2O2 is possible at this electrode. It is experimentally proved that overpotential for ORR at the gold electrode is significantly reduced by depositing BN nanosheets. No such effect is observed at the glassy carbon electrode, demonstrating the importance of BN substrate interaction for h-BN to act as the ORR electrocatalyst. A possible role of the edge of the BN islands for ORR is also discussed.
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