Electronic confinement in graphene ruled by N doped extended defects

Nanotechnology

Volumn 25, Issue 24, 2014, Pages

  Brito, W H ^a   Chacham, H ^a   Kagimura, R ^b   Miwa, R H ^b  

^a FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

^b FEDERAL UNIVERSITY OF UBERLÂNDIA   (Brazil)

Author keywords

DFT; electronic confinement; extended defects; grapheme

Indexed keywords

ELECTRONIC PROPERTIES; GRAIN BOUNDARIES; GRAPHENE; HETEROJUNCTIONS;

CONFINEMENT EFFECTS; DFT; ELECTRONIC CONFINEMENT; EXTENDED DEFECT; GRAIN-BOUNDARY DEFECTS; GRAPHEME; METALLIC STRUCTURES; SEMICONDUCTING STRUCTURES;

DOPING (ADDITIVES);

EID: 84901650396     PISSN: 09574484     EISSN: 13616528     Source Type: Journal    
DOI: 10.1088/0957-4484/25/24/245706     Document Type: Article

References (49)

1. Neto A H C, Guinea F, Peres N M R, Novoselov K S and Geim A K 2009 The electronic properties of graphene Rev. Mod. Phys. 81 109-62
2. Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Grigoreva V and Firsov A A 2004 Electric field effect in atomically thin carbon films Science 306 666-9 (Pubitemid 39440910)
3. Novoselov K S, Jiang D, Shedin F, Booth T J, Khotkevich V V, Morozov S V and Geim A K 2005 Two-dimensional atomic crystals Proc. Natl. Acad. Sci. USA 102 10451-3 (Pubitemid 41061574)
4. Song L et al 2010 Large scale growth and characterization of atomic hexagonal boron nitride layers Nano Lett. 10 3209-15
5. Coleman J N et al 2011 Two-dimensional nanosheets produced by liquid exfoliation of layered materials Science 331 568-71
6. Jin C, Lin F, Suenaga K and Iijima S 2009 Fabrication of a freestanding boron nitride single layer and its defect assignments Phys. Rev. Lett. 102 195505
7. Banhart F, Kotakoski J and Krasheninnikov A V 2011 Structural defects in graphene ACS Nano 5 26-41
8. Ugeda M M, Brihuega I, Guinea F and Gomez-Rodriguez J M 2010 Missing atom as a source of carbon magnetism Phys. Rev. Lett. 104 096804
9. Peng X and Ahuja R 2008 Symmetry breaking induced bandgap in epitaxial graphene layers on sic Nano Lett. 8 4464-8
10. Huang P Y et al 2011 Grains and grain boundaries in single-layer graphene atomic patchwork quilts Nature 469 389-92
11. Lahiri J, Lin Y, Bozkurt P, Oleynik I L and Batzill M 2010 An extended defect in graphene as a metallic wire Nat. Nanotechnol. 5 326-9
12. Yazyev O V and Louie S G 2010 Electronic transport in polycrystalline graphene Nature Mat. 9 806-9
13. Simonis, Goffaux C, Thiry P A, Biro L P, Lambin P and Meunier V 2002 STM study of a grain boundary in graphite Surf. Sci. 511 319-22 (Pubitemid 34719488)
14. Yu Q K et al 2011 Control and characterization of individual grains and grain boundaries in graphene grown by chemical vapour deposition Nat. Mater. 10 443-9
15. Zhang J, Gao L L J and Zhao J 2012 Electronic and transport gaps of graphene opened by grain boundaries J. Appl. Phys. 112 053713
16. Li Y, Zhang R, Lin g and Hove M A V 2012 Inducing extended line defects in graphene by linear adsorption of c and n atoms Appl. Phys. Lett. 101 253105
17. Gunlycke D, Vasudevan S and White C T 2013 Confinement, transport gap, and valley polarization in graphene from two parallel decorated line defects Nano Lett. 13 259-63
18. Yi J-Y and Bernholc J 1993 Atomic structure and doping of microtubules Phys. Rev. B 47 1708-11
19. Singh R and Kroll P 2009 Magnetism in graphene due to single-atom defects: dependence on the concentration and packing geometry of defects J. Phys.: Condens. Matter 21 196002
20. Hsu W K and Nakajima T 2002 Electrically conducting boron-doped multi-walled carbon nanotube bundles Carbon 40 462-5 (Pubitemid 34100093)
21. Duclaux L 2002 Review of the doping of carbon nanotubes (multiwalled and single-walled) Carbon 40 1751-64 (Pubitemid 34802130)
22. Guo B, Liu Q, Chen E, Zhu H, Fang L and Gong J R 2010 Controllable n-doping of graphene Nano Lett. 10 4975-80
23. Zhang C, Fu L, Liu N, Liu M, Wang Y and Liu Z 2011 Synthesis of nitrogen-doped graphene using embedded carbon and nitrogen Adv. Mat. 23 1020-4
24. Hlgren E H, Kotakoski J and Krasheninnikov A V 2011 Atomistic simulations of the implantatiog of low-energy boron and nitrogen ions into graphene Phys. Rev. B 83 115424
25. Miwa R H, Martins T B and Fazzio A 2008 Hydrogen adsorption on boron doped graphene: an ab initio study Nanotechnology 19 155708 (Pubitemid 351588251)
26. Zhao L et al 2011 Visualizing individual nitrogen dopants in monolayer graphene Science 333 999-1003
27. Li N, Wang Z, Zhao K, Shi Z, Gu Z and Xu S 2010 Large scale synthesis of n-doped multi-layered graphene sheets by simple arc-discharge method Carbon 48 255-9
28. Brito W H, Kagimura R and Miwa R H 2012 B and n doping in graphene ruled by grain boundary defects Phys. Rev. B 85 035404
29. Brito W H, Kagimura R and Miwa R H 2011 Hydrogenated grain boundaries in graphene Appl. Phys. Lett. 98 213107
30. Sun Z, Pint C L, Marcano D C, Zhang C, Yao J, Ruan G, Yan Z, Zhu Y, Hauge R H and Tour J M 2011 Towards hybrid superlattices in graphene Nature Communications 2 559
31. Luo X, Liu L, Hu Z, Wang W, Song W, Li F, Zhao H L S, Wang H and Tian Y 2012 Two-dimensional superlattice: Modulation of band gaps in graphene-based monolayer carbon superlattices J. Phys. Chem. Lett. 3 3373-8
32. Jansen R J J and van Bekkum H 1995 XPS of nitrogen-containing functional-groups on activated carbon Carbon 33 1021-7
33. Gao H et al 2012 A simple method to synthesize continuous large area nitrogen-doped graphene Carbon 50 4476-82
34. Soler J M, Artacho E, Gale J D, García A, Junquera J, Ordejón P and Sánchez-Portal D 2002 The siesta method for ab initio order-n materials simulation J. Phys.: Condens. Matter 14 2745 (Pubitemid 34288362)
35. Kohn W and Sham L J 1965 Self-consistent equations including exchange and correlation effects Phys. Rev. 140 1133-8
36. Perdew J P, Burke K and Ernzerhof M 1996 Generalized gradient approximation made simple Phys. Rev. Lett. 77 3865-8 (Pubitemid 126631804)
37. Junquera J, Paz O, Sánchez-Portal D and Artacho E 2001 Numerical atomic orbitals for linear-scaling calculations Phys. Rev. B 64 235111
38. Troullier N and Martins J L 1991 Efficient pseudopotentials for plane-wave calculations Phys. Rev. B 43 1993-2006
39. Kleinman L and Bylander D M 1982 Efficacious form for model pseudopotentials Phys. Rev. Lett. 48 1425-8
40. Yazyev O V and Louie S G 2010 Topological defects in graphene: dislocations and grain boundaries Phys. Rev. B 81 195420
41. Mazzoni M S C, Nunes R W, Azevedo S and Chacham H 2006 Electronic structure and energetics of bxcynz layered structures Phys. Rev. B 73 073108 (Pubitemid 43306178)
42. Li Y, Zhou Z, Shen P and Chen Z 2009 Spin gapless semiconductor-metal- half-metal properties in nitrogen-doped zigzag graphene nanoribbons ACS Nano 3 1952-8
43. Nygaard L, Nielsen J T, Kirchheiner J, Maltesen G, Rastrup-Andersen J and Sørensen G O 1969 Microwave spectra of isotopic pyrroles. molecular structure, dipole moment, and n quadrupole coupling constants of pyrrole J. Mol. Structure 3 491-506
44. Tersoff J and Hamann D R 1985 Theory of the scanning tunneling microscope Phys. Rev. B 31 805-13
45. Lin Y, Lin C and Chiu P 2010 Controllable graphene n-doping with ammonia plasma Appl. Phys. Lett. 96 133110
46. Alexandre S S, Lúcio A D, Neto A H C and Nunes R W 2012 Correlated magnetic states in extended one-dimensional defects in graphene Nano Lett. 12 5097-102
47. Barone V, Hod O and Scuseria G E 2006 Electronic structure and stability of semiconducting graphene nanoribbons Nano Lett. 6 2748-54 (Pubitemid 46129565)
48. Son Y-W, Cohen M L and Louie S G 2006 Energy gaps in graphene nanoribbons Phys. Rev. Lett 97 216803 (Pubitemid 44373652)
49. Beckman S P, Han J and Ckelikowsky J R 2006 Quantum confinement effects in ge [110] nanowires Phys. Rev. B 74 165314 (Pubitemid 44564568)