Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 14, Issue 22, Pages 8032-8037Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2cp23937j
Keywords
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Funding
- National Natural Science Foundation of China [61172039]
- National Basic Research Program of China [2011CB606405, 2012CB932703]
- Specialized Research Fund for the Doctoral Program of Higher Education of China [200805320011]
- Aid Program for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province
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By applying the nonequilibrium Green's functions and the density-functional theory, we investigate the electronic structures and transport properties of fluorinated zigzag-edged boron nitride nanoribbons. The results show that the transition between half-metal and semiconductor in zigzag-edged boron nitride nanoribbons can be realized by fluorination at different sites or by the change of the fluorination level. Moreover, the negative differential resistance and varistor-type behaviors can also be observed in such fluorinated zigzag-edged boron nitride nanoribbon devices. Therefore, the fluorination of zigzag-edged boron nitride nanoribbons will provide the possibilities for a multifunctional molecular device design.
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