Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 115, Issue 14, Pages 6195-6199Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp110649m
Keywords
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Funding
- NSF [11074035, 20873019]
- NBRP [2010CB923401, 2011CB302004, 2009CB623200]
- SRFDP [20090092110025]
- Outstanding Young Faculty
- Peiyu Foundation of SEU in China
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The electronic and magnetic properties of quasi-1D zigzag triwing graphene (ZZ-TWG) ribbons with boron and nitrogen (BN) doping were investigated by means of a spin-polarized density functional theory approach. Our results showed that asymmetric BN doping can give rise to half-metallicity and suppress spin polarization of the doped wings, making the BN-doped ZZ-TWGs potential application in spintronics devices. Heavily doping can turn metallic ZZ-TWG ribbons into semiconductors. A critical ratio of BN to C and appropriate doping site (e.g., ribbon's edges) are required for achieving specific electronic properties. An effective path of engineering electronic properties of ZZ-TWGs by BN doping was suggested.
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