Band gap control and transformation of monolayer-MoS2-based hetero-bilayers

Journal of Materials Chemistry C

Volumn 3, Issue 36, 2015, Pages 9403-9411

  Li, X D ^a   Wu, S Q ^a   Zhu, Z Z ^a  

^a XIAMEN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; MOLYBDENUM COMPOUNDS; MONOLAYERS; NANOELECTRONICS; RADIATION DAMAGE;

AB INITIO DENSITY FUNCTIONAL THEORIES (DFT); BAND GAP CONTROL; DIRECT BAND GAP SEMICONDUCTORS; INDIRECT BAND GAP; INTERLAYER DISTANCE; NANOELECTRONIC DEVICES; SUBLATTICE SYMMETRY; TUNABLE BAND-GAP;

ENERGY GAP;

EID: 84940950417     PISSN: 20507534     EISSN: 20507526     Source Type: Journal    
DOI: 10.1039/c5tc01584g     Document Type: Article

References (58)

1. K. S. Novoselov A. K. Geim S. V. Morozov D. Jiang Y. Zhang S. V. Dubonos I. V. Grigorieva A. A. Firsov Electric Field Effect in Atomically Thin Carbon Films Science 2004 306 666 669
2. S. Lebègue O. Eriksson Electronic structure of two-dimensional crystals from ab initio theory Phys. Rev. B: Condens. Matter Mater. Phys. 2009 79 115409
3. 2 (M = Mo, Nb, W, Ta; X = S, Se, Te) monolayers Physica B 2011 406 2254 2260
4. A. H. Castro Neto F. Guinea N. M. R. Peres K. S. Novoselov A. K. Geim The electronic properties of graphene Rev. Mod. Phys. 2009 81 109 162
5. 2 monolayers Phys. Chem. Chem. Phys. 2011 13 15546 15553
6. Y. Ma Y. Dai M. Guo C. Niu J. Lu B. Huang Strain-induced magnetic transitions in half-fluorinated single layers of BN, GaN and graphene Nanoscale 2011 3 2301 2306
7. 2: A New Direct-Gap Semiconductor Phys. Rev. Lett. 2010 105 136805
8. Z. X. Guo S. Furuya J. Iwata A. Oshiyama Absence and presence of Dirac electrons in silicene on substrates Phys. Rev. B: Condens. Matter Mater. Phys. 2013 87 235435
9. A. O'Hare F. V. Kusmartsev K. I. Kugel A Stable "Flat" Form of Two-Dimensional Crystals: Could Graphene, Silicene, Germanene Be Minigap Semiconductors? Nano Lett. 2012 12 1045 1052
10. R. Quhe R. Fei Q. Liu J. Zheng H. Li C. Xu Z. Ni Y. Wang D. Yu Z. Gao J. Lu Tunable and sizable band gap in silicene by surface adsorption Sci. Rep. 2012 2 853
11. Z. Ni Q. Liu K. Tang J. Zheng J. Zhou R. Qin Z. Gao D. Yu J. Lu Tunable Bandgap in Silicene and Germanene Nano Lett. 2012 12 113 118
12. M. Ye R. Quhe J. Zheng Z. Ni Y. Wang Y. Yuan G. Tse J. Shi Z. Gao J. Lu Tunable band gap in germanene by surface adsorption Physica E 2014 59 60 65
13. B. Lalmi H. Oughaddou H. Enriquez A. Kara S. Vizzini B. Ealet B. Aufray Epitaxial growth of a silicene sheet Appl. Phys. Lett. 2010 97 223109
14. S. Cahangirov M. Topsakal E. Aktürk H. Şahin S. Ciraci Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium Phys. Rev. Lett. 2009 102 236804
15. H. Şahin S. Cahangirov M. Topsakal E. Bekaroglu E. Akturk R. T. Senger S. Ciraci Monolayer honeycomb structures of group-IV elements and III-V binary compounds: First-principles calculations Phys. Rev. B: Condens. Matter Mater. Phys. 2009 80 155453
16. C. Liu W. Feng Y. Yao Quantum Spin Hall Effect in Silicene and Two-Dimensional Germanium Phys. Rev. Lett. 2011 107 076802
17. M. Houssa E. Scalise K. Sankaran G. Pourtois V. V. Afanas'ev A. Stesmans Electronic properties of hydrogenated silicene and germanene Appl. Phys. Lett. 2011 98 223107
18. P. Vogt P. D. Padova C. Quaresima J. Avila E. Frantzeskakis M. C. Asensio A. Resta B. Ealet G. L. Lay Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon Phys. Rev. Lett. 2012 108 155501
19. Y. Cai C. Chuu C. M. Wei M. Y. Chou Stability and electronic properties of two-dimensional silicene and germanene on graphene Phys. Rev. B: Condens. Matter Mater. Phys. 2013 88 245408
20. W. Hu Z. Li J. Yang Structural, electronic, and optical properties of hybrid silicene and graphene Nanocomposite J. Chem. Phys. 2013 139 154704
21. T. P. Kaloni S. Gangopadhyay N. Singh B. Jones U. Schwingenschlögl Electronic properties of Mn-decorated silicene on hexagonal boron nitride Phys. Rev. B: Condens. Matter Mater. Phys. 2013 88 235418
22. B. Feng Z. Ding S. Meng Y. Yao X. He P. Cheng L. Chen K. Wu Evidence of Silicene in Honeycomb Structures of Silicon on Ag(111) Nano Lett. 2012 12 3507 3511
23. H. Enriquez S. Vizzini A. Kara B. Lalmi H. Oughaddou Silicene structures on silver surfaces J. Phys.: Condens. Matter 2012 24 314211
24. A. Fleurence R. Friedlein T. Ozaki H. Kawai Y. Wang Y. Yamada-Takamura Experimental Evidence for Epitaxial Silicene on Diboride Thin Films Phys. Rev. Lett. 2012 108 245501
25. 2 Phys. Rev. B: Condens. Matter Mater. Phys. 2011 83 245213
26. 2 Nano Lett. 2010 10 1271 1275
27. 2 monolayer Solid State Commun. 2012 152 909 913
28. 2@oleylamine (M = Mo, W) Chem. Mater. 2011 23 3879 3885
29. 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 V. Nicolosi Two-Dimensional Nanosheets Produced by Liquid Exfoliation of Layered Materials Science 2011 331 568 571
30. 2 Synthesized by Chemical Vapor Deposition ACS Nano 2014 8 4961 4968
31. 2 Nanosheets as a Near-Infrared Photothermal-Triggered Drug Delivery for Effective Cancer Therapy ACS Nano 2014 8 6922 6933
32. 2 Films Sci. Rep. 2013 3 1866
33. 2 Nanosheets by Shear Exfoliation Chem. Mater. 2015 27 1129 1139
34. H. Behera G. Mukhopadhyay Strain-tunable band gap in graphene/h-BN hetero-bilayer J. Phys. Chem. Solids 2012 73 818 821
35. 2 Nano Lett. 2012 12 5576 5580
36. 2 transistors Nat. Nanotechnol. 2011 6 147 150
37. 2 Phys. Rev. B: Condens. Matter Mater. Phys. 2013 87 165409
38. Z. Ma Z. Hu X. Zhao Q. Tang D. Wu Z. Zhou L. Zhang Tunable Band Structures of Heterostructured Bilayers with Transition-Metal Dichalcogenide and MXene Monolayer J. Phys. Chem. C 2014 118 5593 5599
39. 2 J. Phys. Chem. C 2015 119 4752 4758
40. M. Sharma A. Kumar P. K. Ahluwalia R. Pandey Strain and electric field induced electronic properties of two-dimensional hybrid bilayers of transition-metal dichalcogenides J. Appl. Phys. 2014 116 063711
41. H. Terrones F. López-Urías M. Terrones Novel hetero-layered materials with tunable direct band gaps by sandwiching different metal disulfides and diselenides Sci. Rep. 2013 3 1549
42. 2 by Vertical Electric Field: A First-Principles Investigation J. Phys. Chem. C 2012 116 21556 21562
43. G. Kresse D. Joubert From ultrasoft pseudopotentials to the projector augmented-wave method Phys. Rev. B: Condens. Matter Mater. Phys. 1999 59 1758 1775
44. G. Kresse J. Furthmüller Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Comput. Mater. Sci. 1996 6 15 50
45. G. Kresse J. Furthmüller Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys. Rev. B: Condens. Matter Mater. Phys. 1996 54 11169 11186
46. D. M. Ceperley B. J. Alder Ground State of the Electron Gas by a Stochastic Method Phys. Rev. Lett. 1980 45 566 569
47. H. J. Monkhorst J. Pack Special points for Brillouin-zone integrations Phys. Rev. B: Solid State 1976 13 5188 5192
48. 2 and Other Group-VI Dichalcogenides Phys. Rev. Lett. 2012 108 196802
49. 2 Phys. Rev. B: Condens. Matter Mater. Phys. 2011 84 155413
50. J. C. Garcia D. B. de Lima L. V. C. Assali J. F. Justo Group IV Graphene- and Graphane-Like Nanosheets J. Phys. Chem. C 2011 115 13242 13246
51. L. Matthes O. Olivia Pulci F. Bechstedt Massive Dirac quasiparticles in the optical absorbance of graphene, silicene, germanene, and tinene J. Phys.: Condens. Matter 2013 25 395305
52. 2 monolayer Superlattices Nanoscale Res. Lett. 2014 9 110
53. 2 Physica B 2010 405 2498 2502
54. 2 Nanotubes Phys. Rev. Lett. 2000 85 146 149
55. 2 monolayer: An ab initio study Nanoscale 2011 3 3883 3887
56. J. P. Perdew M. Levy Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities Phys. Rev. Lett. 1983 51 1884 1887
57. L. J. Sham M. Schluter Density-Functional Theory of the Energy Gay Phys. Rev. Lett. 1983 51 1888 1891
58. G. Giovannetti P. A. Khomyakov G. Brocks P. J. Kelly J. V. D. Brink Substrate-induced band gap in graphene on hexagonal boron nitride: Ab initio density functional calculations Phys. Rev. B: Condens. Matter Mater. Phys. 2007 76 073103