Centered honeycomb NiSe2 nanoribbons: Structure and electronic properties

Journal of Physical Chemistry C

Volumn 118, Issue 6, 2014, Pages 3295-3304

  Reyes Retana, J A ^a   Naumis, G G ^a   Cervantes Sodi, Felipe ^b  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b UNIVERSIDAD IBEROAMERICANA   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84894028381     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp409504f     Document Type: Article

References (54)

1. Wilson, J.; AD, Y. The Transition Metal Dichalcogenides Discussion and Interpretation of the Observed Optical, Electrical and Structural Properties Adv. Phys. 1969, 18, 193-335
2. Mattheiss, L. F. Band Structures of Transition-Metal-Dichalcogenide Layer Compounds Phys. Rev. B 1973, 8, 3719-3740
3. 2 Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like Structure J. Phys. Chem. C 2012, 116, 8983-8999
4. Lebègue, S.; Eriksson, O. Electronic Structure of Two-dimensional Crystals from ab initio Theory Phys. Rev. B 2009, 79, 115409
5. 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
6. 2 Nanosheets J. Am. Chem. Soc. 2013, 135, 10274-10277
7. 2 Nanosheets for Hydrogen Evolution Nat. Mater. 2013, 12, 850-855
8. Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.; Zhang, Y.; Dubonos, S. V.; Grigorieva, I. V.; Firsov, A. A. Electric Field Effect in Atomically Thin Carbon Films Science 2004, 306, 666-669
9. Osada, M.; Sasaki, T. Exfoliated Oxide Nanosheets: New Solution to Nanoelectronics J. Mater. Chem. 2009, 19, 2503-2511
10. Li, X.; Cai, W.; An, J.; Kim, S.; Nah, J.; Yang, D.; Piner, R.; Velamakanni, A.; Jung, I.; Tutuc Large-Area Synthesis of High-Quality and Uniform Graphene Films on Copper Foils Science 2009, 324, 1312-1314
11. 2 Atomic Layers with Chemical Vapor Deposition Adv. Mater. 2012, 24, 2320-2325
12. Coleman, J. N.; Lotya, M.; ONeill, A.; Bergin, S. D.; King, P. J.; Khan, U.; Young, K.; Gaucher, A.; De, S.; Smith, R. J. Two-Dimensional Nanosheets Produced by Liquid Exfoliation of Layered Materials Science 2011, 331, 568-571
13. Nicolosi, V.; Chhowalla, M.; Kanatzidis, M. G.; Strano, M. S.; Coleman, J. N. Liquid Exfoliation of Layered Materials Science 2013, 340, 1226419
14. Britnell, L.; Gorbachev, R.; Jalil, R.; Belle, B.; Schedin, F.; Mishchenko, A.; Georgiou, T.; Katsnelson, M.; Eaves, L.; Morozov, S. Field-Effect Tunneling Transistor Based on Vertical Graphene Heterostructures Science 2012, 335, 947-950
15. Vogt, P.; De Padova, P.; Quaresima, C.; Avila, J.; Frantzeskakis, E.; Asensio, M. C.; Resta, A.; Ealet, B.; Le Lay, G. Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon Phys. Rev. Lett. 2012, 108, 155501
16. Dean, C. R.; Young, A. F.; Meric, I.; Lee, C.; Wang, L.; Sorgenfrei, S.; Watanabe, K.; Taniguchi, T.; Kim, P.; Shepard, K. L; Boron, J. H. Nitride Substrates for High-quality Graphene Electronics Nat. Nanotechnol. 2010, 5, 722-726
17. Naumis, G. G. Internal Mobility Edge in Doped Graphene: Frustration in a Renormalized Lattice Phys. Rev. B 2007, 76, 153403
18. Barrios-Vargas, J. E.; Naumis, G. G. Doped graphene: The Interplay Between Localization and Frustration Due to the Underlying Triangular Symmetry J. Phys.: Condens. Matter 2011, 23, 375501
19. Barrios-Vargas, J.; Naumis, G. G. Pseudo-gap Opening and Dirac Point Confined States in Doped Graphene Solid State Commun. 2013, 162, 23-27
20. Bostwick, A.; McChesney, J. L.; Emtsev, K. V.; Seyller, T.; Horn, K.; Kevan, S. D.; Rotenberg, E. Quasiparticle Transformation During a Metal-Insulator Transition in Graphene Phys. Rev. Lett. 2009, 103, 056404
21. López-Rodríguez, F.; Naumis, G. Graphene under perpendicular incidence of electromagnetic waves: Gaps and band structure Philos. Mag. 2010, 90, 2977-2988
22. López-Rodríguez, F. J.; Naumis, G. G. Analytic Solution for Electrons and Holes in Graphene under Electromagnetic Waves: Gap Appearance and Nonlinear Effects Phys. Rev. B 2008, 78, 201406
23. 2: A New Direct-Gap Semiconductor Phys. Rev. Lett. 2010, 105, 136805
24. 2 Nano Lett. 2012, 12, 5576-5580
25. 2 Nano Lett. 2013, 13, 1416-1421
26. Han, M. Y.; Özyilmaz, B.; Zhang, Y.; Kim, P. Energy Band-Gap Engineering of Graphene Nanoribbons Phys. Rev. Lett. 2007, 98, 206805
27. Son, Y.-W.; Cohen, M. L.; Louie, S. G. Energy Gaps in Graphene Nanoribbons Phys. Rev. Lett. 2006, 97, 216803
28. 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
29. Botello-Méndez, A. R.; López-Urías, F.; Terrones, M.; Terrones, H. Metallic and Ferromagnetic Edges in Molybdenum Disulfide Nanoribbons Nanotechnology 2009, 20, 325703
30. 2 Nanoribbon J. Phys.: Condens. Matter 2012, 24, 335501
31. 2 Phys. Rev. B 2013, 87, 144105
32. 2 Nanoribbons and Their Defects J. Phys. Chem. C 2011, 115, 3934-3941
33. 3 Nanoribbons J. Am. Chem. Soc. 2012, 134, 13773-13779
34. She, G.; Zhang, X.; Shi, W.; Cai, Y.; Wang, N.; Liu, P.; Chen, D. Template-Free Electrochemical Synthesis of Single-Crystal CuTe Nanoribbons Cryst. Growth Des. 2008, 8, 1789-1791
35. 2 J. Struct. Chem. 2001, 42, 654-681
36. 2} (M=Mo, Nb, W, Ta; X=S, Se, Te) Monolayers Phys. B (Amsterdam, Neth.) 2011, 406, 2254-2260
37. 2 Semiconductors (M = Mo, W; X = S, Se, Te) Phys. Rev. B 2012, 85, 033305
38. Naumis, G. G.; Terrones, M.; Terrones, H.; Gaggero-Sager, L. M. Design of Graphene Electronic Devices using Nanoribbons of Different Widths Appl. Phys. Lett. 2009, 95, 182104-182104-3
39. Cresti, A.; Nemec, N.; Biel, B.; Niebler, G.; Triozon, F.; Cuniberti, G.; Roche, S. Charge Transport in Disordered Graphene-Based Low Dimensional Materials Nano Res. 2008, 1, 361-394
40. Giannozzi, P.; Baroni, S.; Bonini, N.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Chiarotti, G. L.; Cococcioni, M.; Dabo, I. QUANTUM ESPRESSO: A Modular and Open-source Software Project for Quantum Simulations of Materials J. Phys.: Condens. Matter 2009, 21, 395502
41. Free Software Foundation. GNU General Public License. http://www.gnu.org/licenses/gpl.html.
42. Vanderbilt, D. Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism Phys. Rev. B 1990, 41, 7892-7895
43. Rappe, A. M.; Rabe, K. M.; Kaxiras, E.; Joannopoulos, J. D. Optimized Pseudopotentials Phys. Rev. B 1990, 41, 1227-1230
44. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation Phys. Rev. B 1992, 46, 6671-6687
45. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
46. Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188-5192
47. Zhu, Z. Y.; Cheng, Y. C.; Schwingenschlögl, U. Giant Spin-Orbit-Induced Spin Splitting in Two-Dimensional Transition-Metal Dichalcogenide Semiconductors Phys. Rev. B 2011, 84, 153402
48. Radzyński, T.; Łusakowski, A. Influence of Spin-Orbit Interaction on Band Structure and Elastic Properties of PbTe Acta Phys. Pol., A 2009, 116, 954-955
49. Kittel, C.; McEuen, P. Introduction to Solid State Physics, 8 th ed.; Wiley: New York, 2005.
50. Kerner, R.; Naumis, G. G. Stochastic Matrix Description of the Glass Transition J. Phys.: Condens. Matter 2000, 12, 1641
51. Naumis, G. G.; Kerner, R. Stochastic Matrix Description of Glass Transition in Ternary Chalcogenide Systems J. Non-Cryst. Solids 1998, 231, 111-119
52. Huerta, A.; Naumis, G. G. Evidence of a Glass Transition Induced by Rigidity Self-Organization in a Network-Forming Fluid Phys. Rev. B 2002, 66, 184204
53. Deng, H.-X.; Li, S.-S.; Li, J.; Wei, S.-H. Effect of Hydrogen Passivation on the Electronic Structure of Ionic Semiconductor Nanostructures Phys. Rev. B 2012, 85, 195328
54. Economou, E. N. Green's Functions in Quantum Physics; Springer: Berlin, 1984; Vol. 3.