The Investigations of Electronic Structure in Armchair Graphene Nanoribbons Doped B at the Edge

Abstract:

In this paper, the electronic structure in armchair graphene nanoribbons (AGNRs) and graphene nanoribbons doped B at the edge (B-AGNRs) are obtained based on the first principle theory. It shows that the band gap has the oscillation characteristic whose period is 3. The band gap oscillating characteristic gradually vanishes and tends to be stable after doping B at graphene nanoribbons edge. This provides a theoretical guidance for developing the stable graphene nanodevices.

• Periodical: Key Engineering Materials (Volume 787)
• Pages: 99-103
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.787.99
• Online since: November 2018
• Authors: Xian Bin Zhang*, Ning Kang Deng, Wen Jie Wu, Xu Yan Wei, Guan Qi Wang
• Keywords: Doping, Electrical Properties, First Principle, Graphene Nanoribbons, Optical Properties

References

[1] Son Y W, Cohen M L, Louie S G. Erratum: Energy Gaps in Graphene Nanoribbons [Phys. Rev. Lett. 97, 216803 (2006)][J]. Physical Review Letters, 2007, 98(8):89901.

DOI: 10.1103/physrevlett.98.089901

[2] M Y Han, J C Brant, and P Kim. Electron transport in disordered graphene nanoribbons,, Phys. Rev. Lett., 2010, 04(5):056801-056804.

[3] Wang W X, Zhou M, Li X, et al. Energy gaps of atomically precise armchair graphene nanoribbons[J]. Physical Review B, 2016, 93(24).

DOI: 10.1103/physrevb.93.241403

[4] Karimi F, Knezevic I. Optical properties of graphene nanoribbons[C]// APS Meeting. APS Meeting Abstracts, (2016).

[5] Kawai S, Saito S, Osumi S, et al. Atomically controlled substitutional boron-doping of graphene nanoribbons[J]. Nature Communications, 2015, 6:8098.

DOI: 10.1038/ncomms9098

[6] Nakada K, Fujita M, Dresselhaus G, et al. Edge state in graphene ribbons: Nanometer size effect and edge shape dependence.[J]. Phys.rev.b, 1996, 54(24):17954.

DOI: 10.1103/physrevb.54.17954

[7] Yazyev O V. A guide to the design of electronic properties of graphene nanoribbons[J]. Acc Chem Res, 2013, 46(10):2319-2328.

DOI: 10.1021/ar3001487

[8] Martins T B, Miwa R H, Silva A J R D, et al. Electronic and transport properties of boron-doped graphene nanoribbons.[J]. Physica Status Solidi, 2007, 98(19):304–308.

[9] Wang Z, Xiao J, Li X. Effects of heteratom substitutional doping on the electronic properties of graphene nanoribbons [J]. Solid State Communications, 2012, 152(2):64-67.

DOI: 10.1016/j.ssc.2011.11.002

[10] Chen A, Shao Q Y, Wang L, et al. Electronic structure and optical property of boron doped semiconducting graphene nanoribbons[J]. Science China(Physics,Mechanics & Astronomy), 2011, 54(8):1438-1442.

DOI: 10.1007/s11433-011-4408-8

[11] Gilan M D, Chegel R. Investigation of electronic and optical properties of boron doped graphene nanoribbon[C]// Conference on Condensed Matter. (2017).

[12] Hu Y Y, Li W Q, Yang L, et al. Electronic properties and nonlinear optical responses of boron/nitrogen-doped zigzag graphene nanoribbons[J]. Canadian Journal of Chemistry, 2016, 94(7).

DOI: 10.1139/cjc-2016-0037