Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 115, Issue 50, Pages 25072-25076Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp208248v
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Funding
- National Natural Science Foundation of China [60871065]
- National Basic Research Program of China [2011CB606405]
- 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 using nonequilibrium Green's functions in combination with the density functional theory, we investigate the electronic transport properties of edge hydrogenated zigzag-edged graphene nanoribbon heterojunctions. Results show that a perfect spin-filtering effect with 100% spin polarization and a rectifying behavior with a ratio larger than 10(5) can be realized by dihydrogenation, which can also be modulated by changing the widths of the two component ribbons.
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