Electronic and magnetic properties of MoS 2 nanoribbons with sulfur line vacancy defects

Applied Surface Science

Volumn 346, Issue , 2015, Pages 470-476

  Han, Yang ^a   Zhou, Jian ^a   Dong, Jinming ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

Electronic and magnetic; MoS 2 nanoribbon; Out of plane distortion; Sulfur line vacancy defect

Indexed keywords

DEFECTS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GROUND STATE; LAYERED SEMICONDUCTORS; MAGNETIC PROPERTIES; MAGNETISM; MOLYBDENUM COMPOUNDS; NANORIBBONS; SULFUR;

ANTIFERROMAGNETICS; ELECTRONIC AND MAGNETIC; ELECTRONIC AND MAGNETIC PROPERTIES; MOS2 NANORIBBON; NON-MAGNETIC SEMICONDUCTORS; OUT-OF-PLANE DISTORTIONS; SULFUR VACANCIES; VACANCY DEFECTS;

VACANCIES;

EID: 84930031904     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2015.02.016     Document Type: Article

References (41)

1. 2 : A new direct-gap semiconductor Phys. Rev. Lett. 105 2010 136805
2. Q.H. Wang, K. Kalantar-Zadeh, A. Kis, J.N. Coleman, and M.S. Strano Electronics and optoelectronics of two-dimensional transition metal dichalcogenides Nat. Nanotechnol. 7 2012 699 712
3. 2 Nano Lett. 11 2011 5111 5116
4. 2 on mica with novel photoluminescence Nano Lett. 13 2013 3870 3877
5. 2 Nano Lett. 10 2010 1271 1275
6. A.H. Castro Neto, F. Guinea, N.M.R. Peres, K.S. Novoselov, and A.K. Geim The electronic properties of graphene Rev. Mod. Phys. 81 2009 109 162
7. K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, Y. Zhang, S.V. Dubonos, I.V. Grigorieva, and A.A. Firsov Electric field effect in atomically thin carbon films Science 306 2004 666 669
8. D. Pacile, J.C. Meyer, C.O. Girit, and A. Zettl The two-dimensional phase of boron nitride: Few-atomic-layer sheets and suspended membranes Appl. Phys. Lett. 92 2008 133107
9. 2 substrate Small 8 2012 966 971
10. 2 layers using graphene as growth templates Nano Lett. 12 2012 2784 2791
11. 2 film Langmuir 27 2011 11650 11653
12. 2 thin film transistors to any arbitrary substrate ACS Nano 7 2013 8809 8815
13. 2 nanosheets by thermal annealing in air Small 9 2013 3314 3319
14. J.N. Coleman, M. Lotya, A. O'Neill, S.D. Bergin, P.J. King, U. Khan, K. Young, A. Gaucher, S. De, R.J. Smith, I.V. Shvets, S.K. Arora, G. Stanton, H.-Y. Kim, K. Lee, G.T. Kim, G.S. Duesberg, T. Hallam, J.J. Boland, J.J. Wang, J.F. Donegan, J.C. Grunlan, G. Moriarty, A. Shmeliov, R.J. Nicholls, J.M. Perkins, E.M. Grieveson, K. Theuwissen, D.W. McComb, P.D. Nellist, and V. Nicolosi Two-dimensional nanosheets produced by liquid exfoliation of layered materials Science 331 2011 568 571
15. S. Najmaei, Z. Liu, W. Zhou, X.L. Zou, G. Shi, S.D. Lei, B.I. Yakobson, J.C. Idrobo, P.M. Ajayan, and J. Lou Vapour phase growth and grain boundary structure of molybdenum disulphide atomic layers Nat. Mater. 12 2013 754 759
16. Y.H. Lee, L.L. Yu, H. Wang, W.J. Fang, X. Ling, Y.M. Shi, C.T. Lin, J.K. Huang, M.T. Chang, C.S. Chang, M. Dresselhaus, T. Palacios, L.J. Li, and J. Kong Synthesis and transfer of single-layer transition metal disulfides on diverse surfaces Nano Lett. 13 2013 1852 1857
17. 2 monolayers with near-unity valley polarization ACS Nano 7 2013 2768 2772
18. 2 ) nano- and microribbons by electrochemical/chemical synthesis Nano Lett. 4 2004 277 281
19. Q. Li, E.C. Walter, W.E. van der Veer, B.J. Murray, J.T. Newberg, E.W. Bohannan, J.A. Switzer, J.C. Hemminger, and R.M. Penner Molybdenum disulfide nanowires and nanoribbons by electrochemical/chemical synthesis J. Phys. Chem. B 109 2005 3169 3182
20. 2 nanoribbons: high stability and unusual electronic and magnetic properties J. Am. Chem. Soc. 130 2008 16739 16744
21. A.R. Botello-Mendez, F. Lopez-Urias, M. Terrones, and H. Terrones Metallic and ferromagnetic edges in molybdenum disulfide nanoribbons Nanotechnology 20 2009 325703
22. 2 nanoribbons and their defects J. Phys. Chem. C 115 2011 3934 3941
23. 2 monolayer, bilayer, nanoribbons and nanotubes Phys. Chem. Chem. Phys. 14 2012 13035 13040
24. K. Dolui, C.D. Pemmaraju, and S. Sanvito Electric field effects on armchair MoS2 nanoribbons ACS Nano 6 2012 4823 4834
25. 2 nanoribbons by strain engineering J. Phys. Chem. C 116 2012 11752 11757
26. 2 nanoribbons J. Phys. Chem. Lett. 3 2012 2934 2941
27. T. Hu, J. Zhou, J. Dong, and Y. Kawazoe Electronic and magnetic properties of armchair MoS2 nanoribbons under both external strain and electric field, studied by first principles calculations J. Appl. Phys. 116 2014 064301
28. W. Zhou, X.L. Zou, S. Najmaei, Z. Liu, Y.M. Shi, J. Kong, J. Lou, P.M. Ajayan, B.I. Yakobson, and J.C. Idrobo Intrinsic structural defects in monolayer molybdenum disulfide Nano Lett. 13 2013 2615 2622
29. X.L. Zou, Y.Y. Liu, and B.I. Yakobson Predicting dislocations and grain boundaries in two-dimensional metal-disulfides from the first principles Nano Lett. 13 2013 253 258
30. Z. Zhang, X. Zou, V.H. Crespi, and B.I. Yakobson Intrinsic magnetism of grain boundaries in two-dimensional metal dichalcogenides ACS Nano 7 2013 10475 10481
31. A.M. van der Zande, P.Y. Huang, D.A. Chenet, T.C. Berkelbach, Y.M. You, G.H. Lee, T.F. Heinz, D.R. Reichman, D.A. Muller, and J.C. Hone Grains and grain boundaries in highly crystalline monolayer molybdenum disulphide Nat. Mater. 12 2013 554 561
32. 2 with sulfur vacancies: structure and catalytic application J. Phys. Chem. C 118 2014 5346 5351
33. 2 : Evolution of atomic structure under electron irradiation Phys. Rev. B 88 2013 035301
34. J.P. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Phys. Rev. Lett. 77 1996 3865 3868
35. G. Kresse, and J. Hafner Ab initio molecular dynamics for liquid metals Phys. Rev. B 47 1993 558 561
36. G. Kresse, and J. Hafner Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium Phys. Rev. B 49 1994 14251 14269
37. G. Kresse, and J. Furthmüller Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys. Rev. B 54 1996 11169 11186
38. G. Kresse, and J. Furthmüller Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Comp. Mater. Sci. 6 1996 15 50
39. P.E. Blöchl Projector augmented-wave method Phys. Rev. B 50 1994 17953 17979
40. G. Kresse, and D. Joubert From ultrasoft pseudopotentials to the projector augmented-wave method Phys. Rev. B 59 1999 1758 1775
41. H.-P. Komsa, J. Kotakoski, S. Kurasch, O. Lehtinen, U. Kaiser, and A.V. Krasheninnikov Two-dimensional transition metal dichalcogenides under electron irradiation: defect production and doping Phys. Rev. Lett. 109 2012 035503