Electronic and magnetic properties of hybrid boron nitride nanoribbons and sheets with 5-7 line defects

Journal of Physical Chemistry C

Volumn 117, Issue 33, 2013, Pages 17309-17318

  Tang, Shaobin ^a   Zhang, Shiyong ^a  

^a GANNAN NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERROMAGNETICS; BORON NITRIDE NANORIBBONS; ELECTRONIC AND MAGNETIC PROPERTIES; FERROMAGNETIC GROUND STATE; FIRST-PRINCIPLES CALCULATION; HALF-METALLIC BEHAVIOR; NON-MAGNETIC SEMICONDUCTORS; SPINTRONIC DEVICE;

BORON NITRIDE; CALCULATIONS; ENERGY GAP; GRAIN BOUNDARIES; MAGNETIC PROPERTIES; NANORIBBONS; NANOSTRUCTURES; PASSIVATION;

DEFECTS;

EID: 84883191741     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp405536x     Document Type: Article

References (38)

1. Kubota, Y.; Watanabe, K.; Tsuda, O.; Taniguchi, T. Deep Ultraviolet Light-Emitting Hexagonal Boron Nitride Synthesized at Atmospheric Pressure Science 2007, 317, 932-934
2. Zhang, Y.; Tan, Y.-W.; Stormer, H. L.; Kim, P. Experimental Observation of the Quantum Hall Effect and Berry's Phase in Graphene Nature 2005, 438, 201-204
3. Novoselov, K. S.; Jiang, D.; Schedin, F.; Booth, T. J.; Khotkevich, V. V.; Morozov, S. V.; Geim, A. K. Two-Dimensional Atomic Crystals Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 10451-10453
4. Nag, A.; Raidongia, K.; Hembram, K. P. S. S.; Datta, R.; Waghmare, U. V.; Rao, C. N. Graphene Analogues of BN: Novel Synthesis and Properties ACS Nano 2010, 4, 1539-1544
5. Golberg, D.; Bando, Y.; Huang, Y.; Terao, T.; Mitome, M.; Tang, C.; Zhi, C. Boron Nitride Nanotubes and Nanosheets ACS Nano 2010, 4, 2979-2993
6. Tang, S.; Cao, Z. Structural and Electronic Properties of the Fully Hydrogenated Boron Nitride Sheets and Nanoribbons: Insight from First-principles Calculations Chem. Phys. Lett. 2010, 488, 67-72
7. Tang, S.; Yu, J.; Liu, L. Tunable Doping and Band Gap of Graphene on Functionalized Hexagonal Boron Nitride with Hydrogen and Fluorine Phys. Chem. Chem. Phys. 2013, 15, 5067-5077
8. Zhou, J.; Wang, Q.; Sun, Q.; Jena, P. Electronic and Magnetic Properties of a BN Sheet Decorated with Hydrogen and Fluorine Phys. Rev. B 2010, 81, 085442
9. Du, A. J.; Smith, S. C.; Lu, G. Q. First-Principle Studies of Electronic Structure and C-Doping Effect in Boron Nitride Nanoribbon Chem. Phys. Lett. 2007, 447, 181-186
10. Nakamura, J.; Nitta, T.; Natori, A. Electronic and Magnetic Properties of BNC Ribbons Phys. Rev. B 2005, 72, 205429
11. Park, C.-H.; Louie, S. G. Energy Gaps and Stark Effect in Boron Nitride Nanoribbons Nano Lett. 2008, 8, 2200-2203
12. Zhang, Z.; Guo, W. Energy-Gap Modulation of BN Ribbons by Transverse Electric Fields: First-Principles Calculations Phys. Rev. B 2008, 77, 075403
13. Qi, J.; Qian, X.; Qi, L.; Feng, J.; Shi, D.; Li, J. Strain-Engineering of Band Gaps in Piezoelectric Boron Nitride Nanoribbons Nano Lett. 2012, 12, 1224-1228
14. Zheng, F.; Zhou, G.; Liu, Z.; Wu, J.; Duan, W.; Gu, B.-L.; Zhang, S. B. Half Metallicity along the Edge of Zigzag Boron Nitride Nanoribbons Phys. Rev. B 2008, 78, 205415
15. Lai, L.; Lu, J.; Wang, L.; Luo, G.; Zhou, J.; Qin, R.; Gao, Z.; Mei, W. N. Magnetic Properties of Fully Bare and Half-Bare Boron Nitride Nanoribbons J. Phys. Chem. C 2009, 113, 2273-2276
16. Chen, W.; Li, Y.; Yu, G.; Li, C.-Z.; Zhang, S. B.; Zhou, Z.; Chen, Z. Graphane/Fluorographene Bilayer: Considerable C-H···F-C Hydrogen Bonding and Effective Band Structure Engineering J. Am. Chem. Soc. 2012, 134, 11269-11275
17. Wang, Y.; Ding, Y.; Ni, J. Fluorination-Induced Half-Metallicity in Zigzag Boron Nitride Nanoribbons: First-Principles Calculations Phys. Rev. B 2010, 81, 193407
18. Barone, V.; Peralta, J. E. Magnetic Boron Nitride Nanoribbons with Tunable Electronic Properties Nano Lett. 2008, 8, 2210-2214
19. Ding, Y.; Wang, Y.; Ni, J. The Stabilities of Boron Nitride Nanoribbons with different Hydrogen-Terminated Edges Appl. Phys. Lett. 2009, 94, 233107
20. Tang, S.; Cao, Z. Carbon-Doped Zigzag Boron Nitride Nanoribbons with Widely Tunable Electronic and Magnetic Properties: Insight from Density Functional Calculations Phys. Chem. Chem. Phys. 2010, 12, 2313-2320
21. Lahiri, J.; Lin, Y.; Bozkurt, P.; Oleynik, I. I.; Batzill, M. An Extended Defect in Graphene as A Metallic Wire Nat. Nanotechnol. 2010, 5, 326-329
22. Yazyev, O. V.; Louie, S. G. Electronic Transport in Polycrystalline Graphene Nat. Mater. 2010, 9, 806-809
23. Alexandre, S. S.; Lúcio, A. D.; Neto, A. H. C.; Nunes, R. W. Correlated Magnetic States in Extended One-Dimensional Defects in Graphene Nano Lett. 2012, 12, 5097-5102
24. Zhou, J.; Hu, T.; Dong, J.; Kawazoe, Y. Ferromagnetism in a Graphene Nanoribbon with Grain Boundary Defects Phys. Rev. B 2012, 86, 035434
25. Botello-Méndez, A. R.; Cruz-Silva, E.; López-Urías, F.; Sumpter, B. G.; Meunier, V.; Terrones, M.; Terrones, H. Spin Polarized Conductance in Hybrid Graphene Nanoribbons Using 5-7 Defects ACS Nano 2009, 3, 3606-3612
26. Auwärter, W.; Muntwiler, M.; Osterwalder, J.; Greber, T. Defect Lines and Two-Domain Structure of Hexagonal Boron Nitride Films on Ni(111) Surf. Sci. Lett. 2003, 545, L735-L740
27. Kim, K. K.; Hsu, A.; Jia, X.; Kim, S. M.; Shi, Y.; Hofmann, M.; Nezich, D.; Rodriguez-Nieva, J. F.; Dresselhaus, M.; Palacios, T.; Kong, J. Synthesis of Monolayer Hexagonal Boron Nitride on Cu Foil Using Chemical Vapor Deposition Nano Lett. 2012, 12, 161-166
28. Liu, Y.; Zou, X.; Yakobson, B. I. Dislocations and Grain Boundaries in Two-Dimensional Boron Nitride ACS Nano 2012, 6, 7053-7058
29. Gomes, L. C.; Alexandre, S. S.; Chacham, H.; Nunes, R. W. Stability of Edges and Extended Defects on Boron Nitride and Graphene Monolayers: The Role of Chemical Environment J. Phys. Chem. C 2013, 117, 11770-11779
30. Li, X.; Wu, X.; Zeng, X. C.; Yang, J. Band-Gap Engineering via Tailored Line Defects in Boron-Nitride Nanoribbons, Sheets, and Nanotubes ACS Nano 2012, 6, 4104-4112
31. Yamijala, S. S.; Pati, S. K. Electronic and Magnetic Properties of Zigzag Boron-Nitride Nanoribbons with Even and Odd-Line Stone-Wales (5-7 Pair) Defects J. Phys. Chem. C 2013, 117, 3580-3594
32. Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics for Liquid Metals Phys. Rev. B 1993, 47, 558-561
33. Perdew, J. P.; Wang, Y. Accurate and Simple Analytic Representation of the Electron-Gas Correlation Energy Phys. Rev. B 1992, 45, 13244-13249
34. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
35. Nakada, K.; Fujita, M.; Dresselhaus, G.; Dresselhaus, M. S. Edge State in Graphene Ribbons: Nanometer Size Effect and Edge Shape Dependence Phys. Rev. B 1996, 54, 17954-17961
36. Tang, S.; Cao, Z. Theoretical Study of Stabilities and Electronic Properties of the Vacancy and Carbon-doping Defects in Zigzag Boron Nitride Nanoribbons Comput. Mater. Sci. 2010, 48, 648-654
37. Cervantes-Sodi, F.; Csányi, G.; Piscanec, S.; Ferrari, A. C. Edge-Functionalized and Substitutionally Doped Graphene Nanoribbons: Electronic and Spin Properties Phys. Rev. B 2008, 77, 165427
38. Son, Y.-W.; Cohen, M. L.; Louie, S. G. Energy Gaps in Graphene Nanoribbons Phys. Rev. Lett. 2006, 97, 216803