Chirality effect of mechanical and electronic properties of monolayer MoS2 with vacancies

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 378, Issue 38-39, 2014, Pages 2910-2914

  Gan, Yingye ^a   Zhao, Huijuan ^a  

^a Clemson University   (United States)

Author keywords

Band gap; Chirality effects; First principles theory; Mechanical properties; MoS2; Strain effects; Vacancy effects

Indexed keywords

CALCULATIONS; CHIRALITY; ELASTIC MODULI; ELECTRONIC PROPERTIES; ENERGY GAP; LAYERED SEMICONDUCTORS; MECHANICAL PROPERTIES; MOLYBDENUM COMPOUNDS; MONOLAYERS; STRAIN; TENSILE TESTING;

BAND GAP VARIATION; FIRST-PRINCIPLES THEORY; INTERMEDIATE STATE; MECHANICAL AND ELECTRONIC PROPERTIES; MOS2; STRAIN EFFECT; ULTIMATE STRENGTH; VACANCY EFFECTS;

SULFUR COMPOUNDS;

EID: 84908432756     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2014.08.008     Document Type: Article

References (35)

1. 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
2. Y. Zhu, S. Murali, W. Cai, X. Li, J.W. Suk, J.R. Potts, and R.S. Ruoff Graphene and graphene oxide: synthesis, properties, and applications Adv. Mater. 22 2010 3906 3924
3. M. Topsakal, E. Aktürk, H. Sevinçli, and S. Ciraci First-principles approach to monitoring the band gap and magnetic state of a graphene nanoribbon via its vacancies Phys. Rev. B 78 2008 235435
4. N. Gorjizadeh, A.A. Farajian, K. Esfarjani, and Y. Kawazoe Spin and band-gap engineering in doped graphene nanoribbons Phys. Rev. B 78 2008 155427
5. E.V. Castro, K.S. Novoselov, S.V. Morozov, N.M.R. Peres, J.M.B. Lopes dos Santos, J. Nilsson, F. Guinea, A.K. Geim, and A.H. Castro Neto Biased bilayer graphene: semiconductor with a gap tunable by the electric field effect Phys. Rev. Lett. 99 2007 216802
6. Z. Ni, T. Yu, Y.H. Lu, Y. Wang, Y.P. Feng, and Z.X. Shen Uni-axial strain on graphene: Raman spectroscopy study and band-gap opening ACS Nano 2 11 2008 2301 2305
7. 2: a new direct-gap semiconductor Phys. Rev. Lett. 105 2010 136805
8. 2 transistors Nat. Nanotechnol. 6 2011 147 150
9. 2/graphene composites with excellent electrochemical performances for lithium ion batteries ACS Nano 5 6 2011 4720 4728
10. 2 Reac. Kinet. Mech. Catal. 100 1 2010 153 163
11. 2 Nano Lett. 10 4 2010 1271 1275
12. W. Zhou, X. Zuo, S. Najmaei, Z. Liu, Y. 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
13. 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
14. 2 nanostructures: atomic defects, nanoholes, nanodots and antidots Phys. Chem. Chem. Phys. 15 2013 10385 10394
15. 2 saturable absorbers Adv. Mater. 26 2014 3538 3544
16. J. Feng, X. Qian, C. Huang, and J. Li Strain-engineered artificial atom as a broad-spectrum solar energy funnel Nat. Photonics 6 2012 866 872
17. Priya Hohari, and Vivek B. Shenoy Tuning the electronic properties of semiconducting transition metal dichalcogenides by applying mechanical strains ACS Nano 6 6 2012 5449 5456
18. 2 monolayer with defects J. Appl. Phys. 115 2014 054305
19. 2 nanoribbons and their defects J. Phys. Chem. C 115 2011 3934 3941
20. 2 honeycomb structures J. Phys. Chem. C 115 2011 13303 13311
21. 2 nanoribbons ACS Nano 6 2012 4823 4834
22. 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
23. G. Kresse, and D. Joubert From ultrasoft pseudopotentials to the projector augmented-wave method Phys. Rev. B 59 1999 1758
24. P.E. Blochl Projector augmented-wave method Phys. Rev. B 50 1994 17953
25. J.P. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Phys. Rev. Lett. 77 1996 3865
26. 2 Phys. Rev. B 85 2012 235407
27. H. Zhao Strain and chirality effects on the mechanical and electronic properties of silicene and silicane under uni-axial tension Phys. Lett. A 376 46 2012 3546 3550
28. 2 from first principles Appl. Phys. Lett. 10 2013 253103
29. J. Li, N.V. Medhekar, and V.B. Shenoy Bonding charge density and ultimate strength of monolayer transition metal dichalcogenides J. Phys. Chem. C 117 2013 15842 15848
30. P. Johari, and V.B. Shenoy Tuning the electronic properties of semi-conducting transition metal dichalcogenides by applying mechanical strains ACS Nano 6 6 2012 5449 5456
31. 2 ACS Nano 5 2011 9703
32. 2 nanosheets Adv. Mater. 24 2012 772
33. 2 under elastic strain Phys. Lett. A 376 2012 1166 1170
34. H. Zhao, H. Zhao, K. Min, and N.R. Aluru Size and chirality dependent elastic properties of graphene nanoribbons under uni-axial tension Nano Lett. 9 8 2009 3012 3015
35. 2 with defects and strain, in press.