期刊
NANOSCALE
卷 6, 期 7, 页码 3731-3736出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3nr06227a
关键词
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类别
资金
- Program for New Century Excellent Talents in University [NCET-13-0855]
- 973 Program [2013CB932604, 2012CB933403]
- NSF [11072109, 91023026]
- Jiangsu NSF [BK20131356]
- Fundamental Research Funds for the Central Universities of China [NE2012005, NQ2013005]
- Research Fund of State Key Laboratory of Mechanics and Control of Mechanical Structures (Nanjing University of Aeronautics and Astronautics) [0413G01]
- Qing Lan Project
Surface modification and functionalization are of fundamental importance in actual application of insulating coating, such as hexagon boron nitride (h-BN) nanosheet. Our first-principles calculations reveal that an oxidized h-BN monolayer supported by a Cu substrate exhibits metallic properties when O adatom vertically bonds with the B atom. This is mainly due to the hybridization of the p orbital of the BN layer and O adatom around the Fermi level. Charge transfer from the Cu substrate to the O atom stabilizes the formation of the vertical O-B bond. Injecting negative charges could trigger the migration of the O adatom from the B-N bond to B atom for metal or insulator-supported h-BN monolayer, which will lead to a metallic transition in the oxidized h-BN nanosheet. Our results provide a viable way to tune the electronic properties of surface h-BN coating through charge injection mediated O adsorption.
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