Erratum: Structures, energetics, and electronic properties of layered materials and nanotubes of cadmium chalcogenides (Journal of Physical Chemistry C (2013) 117:48 (25817-25825) DOI: 10.1021/jp409772r);Structures, energetics, and electronic properties of layered materials and nanotubes of cadmium chalcogenides

Journal of Physical Chemistry C

Volumn 117, Issue 48, 2013, Pages 25817-25825

  Zhou, Jia ^a   Huang, Jingsong ^a   Sumpter, Bobby G ^a   Kent, Paul R C ^a   Terrones, Humberto ^a,b   Smith, Sean C ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CADMIUM; CADMIUM SULFIDE; CADMIUM TELLURIDE; CHALCOGENIDES; CYLINDERS (SHAPES); ELECTRONIC PROPERTIES; ENERGY GAP; HONEYCOMB STRUCTURES; II-VI SEMICONDUCTORS; MULTILAYERS; NANOTUBES; SELENIUM COMPOUNDS; SEMICONDUCTOR QUANTUM DOTS; VAN DER WAALS FORCES; YARN; ZINC; ZINC SULFIDE;

AB INITIO DENSITY FUNCTIONAL THEORIES (DFT); CADMIUM CHALCOGENIDES; CONCENTRIC CYLINDERS; INTERLAYER INTERACTIONS; SINGLE WALLED NANOTUBE (SWNTS); SPIN-ORBIT COUPLINGS; STRUCTURAL PARAMETER; VAN DER WAALS INTERACTION;

DENSITY FUNCTIONAL THEORY;

EID: 84890342105     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp411621b     Document Type: Erratum

References (63)

1. 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
2. Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.; Katsnelson, M. I.; Grigorieva, I. V.; Dubonos, S. V.; Firsov, A. A. Two-Dimensional Gas of Massless Dirac Fermions in Graphene Nature 2005, 438, 197-200
3. Zhang, Y.; Tan, Y.-W.; Stormer, H. L.; Kim, P. Experimental Observation of the Quantum Hall Effect and Berry's Phase in Graphene Nature 2005, 438, 201-204
4. Pisana, S.; Lazzeri, M.; Casiraghi, C.; Novoselov, K. S.; Geim, A. K.; Ferrari, A. C.; Mauri, F. Breakdown of the Adiabatic Born-Oppenheimer Approximation in Graphene Nat. Mater. 2007, 6, 198-201
5. Xia, J.; Chen, F.; Li, J.; Tao, N. Measurement of the Quantum Capacitance of Graphene Nat. Nanotechnol. 2009, 4, 505-509
6. Butler, S. Z.; Hollen, S. M.; Cao, L.; Cui, Y.; Gupta, J. A.; Gutiérrez, H. R.; Heinz, T. F.; Hong, S. S.; Huang, J.; Ismach, A. F. Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene ACS Nano 2013, 7, 2898-2926
7. 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
8. Hernandez, Y.; Nicolosi, V.; Lotya, M.; Blighe, F. M.; Sun, Z.; De, S.; McGovern, I. T.; Holland, B.; Byrne, M.; Gun'Ko, Y. K. High-yield Production of Graphene by Liquid-phase Exfoliation of Graphite Nat. Nanotechnol. 2008, 3, 563-568
9. Coleman, J. N.; Lotya, M.; O'Neill, 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
10. Rao, C. N. R.; Nag, A. Inorganic Analogues of Graphene Eur. J. Inorg. Chem. 2010, 4244-4250
11. 2: A New Direct-Gap Semiconductor Phys. Rev. Lett. 2010, 105, 136805
12. 2 Nano Lett. 2010, 10, 1271-1275
13. Zhou, K.-G.; Mao, N.-N.; Wang, H.-X.; Peng, Y.; Zhang, H.-L. A Mixed-Solvent Strategy for Efficient Exfoliation of Inorganic Graphene Analogues Angew. Chem., Int. Ed. 2011, 50, 10839-10842
14. Aufray, B.; Kara, A.; Vizzini, S.; Oughaddou, H.; Leandri, C.; Ealet, B.; Lay, G. L. Graphene-like Silicon Nanoribbons on Ag(110): A Possible Formation of Silicene Appl. Phys. Lett. 2010, 96, 183102
15. Lalmi, B.; Oughaddou, H.; Enriquez, H.; Kara, A.; Vizzini, S.; Ealet, B.; Aufray, B. Epitaxial Growth of a Silicene Sheet Appl. Phys. Lett. 2010, 97, 223109
16. Bianco, E.; Butler, S.; Jiang, S.; Restrepo, O. D.; Windl, W.; Goldberger, J. E. Stability and Exfoliation of Germanane: A Germanium Graphane Analogue ACS Nano 2013, 7, 4414-4421
17. Sun, L.; Li, Y.; Li, Z.; Li, Q.; Zhou, Z.; Chen, Z.; Yang, J.; Hou, J. G. Electronic Structures of SiC Nanoribbons J. Chem. Phys. 2008, 129, 174114
18. Shi, Y.; Hamsen, C.; Jia, X.; Kim, K. K.; Reina, A.; Hofmann, M.; Hsu, A. L.; Zhang, K.; Li, H.; Juang, Z.-Y. Synthesis of Few-Layer Hexagonal Boron Nitride Thin Film by Chemical Vapor Deposition Nano Lett. 2010, 10, 4134-4139
19. Zeng, H.; Zhi, C.; Zhang, Z.; Wei, X.; Wang, X.; Guo, W.; Bando, Y.; Golberg, D. "White Graphenes": Boron Nitride Nanoribbons via Boron Nitride Nanotube Unwrapping Nano Lett. 2010, 10, 5049-5055
20. Lopez-Bezanilla, A.; Huang, J.; Terrones, H.; Sumpter, B. G. Boron Nitride Nanoribbons Become Metallic Nano Lett. 2011, 11, 3267-3273
21. Lopez-Bezanilla, A.; Huang, J.; Terrones, H.; Sumpter, B. G. Structure and Electronic Properties of Edge-Functionalized Armchair Boron Nitride Nanoribbons J. Phys. Chem. C 2012, 116, 15675-15681
22. Xie, T.; Lin, Y.; Wu, G.; Yuan, X.; Jiang, Z.; Ye, C.; Meng, G.; Zhang, L. AlN Serrated Nanoribbons Synthesized by Chloride Assisted Vapor-Solid Route Inorg. Chem. Commun. 2004, 7, 545-547
23. 60) and Single-Walled Carbon Nanotubes Chem. Rev. 2005, 105, 3643-3696
24. Chopra, N. G.; Luyken, R. J.; Cherrey, K.; Crespi, V. H.; Cohen, M. L.; Louie, S. G.; Zettl, A. Boron Nitride Nanotubes Science 1995, 269, 966-967
25. Miyamoto, Y.; Yu, B. D. Computational Designing of Graphitic Silicon Carbide and Its Tubular Forms Appl. Phys. Lett. 2002, 80, 586-588
26. Sun, X.-H.; Li, C.-P.; Wong, W.-K.; Wong, N.-B.; Lee, C.-S.; Lee, S.-T.; Teo, B.-K. Formation of Silicon Carbide Nanotubes and Nanowires via Reaction of Silicon (from Disproportionation of Silicon Monoxide) with Carbon Nanotubes J. Am. Chem. Soc. 2002, 124, 14464-14471
27. Alivisatos, A. P. Semiconductor Clusters, Nanocrystals, and Quantum Dots Science 1996, 271, 933-937
28. Hu, J.; Odom, T. W.; Lieber, C. M. Chemistry and Physics in One Dimension: Synthesis and Properties of Nanowires and Nanotubes Acc. Chem. Res. 1999, 32, 435-445
29. Peng, X.; Manna, L.; Yang, W.; Wickham, J.; Scher, E.; Kadavanich, A.; Alivisatos, A. P. Shape Control of CdSe Nanocrystals Nature 2000, 404, 59-61
30. Joo, J.; Son, J. S.; Kwon, S. G.; Yu, J. H.; Hyeon, T. Low-Temperature Solution-Phase Synthesis of Quantum Well Structured CdSe Nanoribbons J. Am. Chem. Soc. 2006, 128, 5632-5633
31. Huang, X.; Li, J. From Single to Multiple Atomic Layers: A Unique Approach to the Systematic Tuning of Structures and Properties of Inorganic-Organic Hybrid Nanostructured Semiconductors J. Am. Chem. Soc. 2007, 129, 3157-3162
32. Son, J. S.; Wen, X.-D.; Joo, J.; Chae, J.; Baek, S.-i.; Park, K.; Kim, J. H.; An, K.; Yu, J. H.; Kwon, S. G. Large-Scale Soft Colloidal Template Synthesis of 1.4 nm Thick CdSe Nanosheets Angew. Chem., Int. Ed. 2009, 48, 6861-6864
33. Ithurria, S.; Tessier, M. D.; Mahler, B.; Lobo, R. P. S. M.; Dubertret, B.; Efros, A. L. Colloidal Nanoplatelets with Two-Dimensional Electronic Structure Nat. Mater. 2011, 10, 936-941
34. Kresse, G.; Furthmüller, J. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50
35. Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
36. Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics for Liquid Metals Phys. Rev. B 1993, 47, 558-561
37. Kresse, G.; Hafner, J. Ab Initio Molecular-Dynamics Simulation of the Liquid-Metal-Amorphous-Semiconductor Transition in Germanium Phys. Rev. B 1994, 49, 14251-14269
38. Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
39. Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
40. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
41. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] Phys. Rev. Lett. 1997, 78, 1396-1396
42. Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188-5192
43. Grimme, S. Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction J. Comput. Chem. 2006, 27, 1787-1799
44. Lee, K.; Murray, é. D.; Kong, L.; Lundqvist, B. I.; Langreth, D. C. Higher-Accuracy Van der Waals Density Functional Phys. Rev. B 2010, 82, 081101
45. Klimeš, J.; Bowler, D. R.; Michaelides, A. Van der Waals Density Functionals Applied to Solids Phys. Rev. B 2011, 83, 195131
46. Fuchs, F.; Furthmüller, J.; Bechstedt, F.; Shishkin, M.; Kresse, G. Quasiparticle Band Structure Based on a Generalized Kohn-Sham Scheme Phys. Rev. B 2007, 76, 115109
47. Shishkin, M.; Kresse, G. Implementation and Performance of the Frequency-Dependent GW Method within the PAW Framework Phys. Rev. B 2006, 74, 035101
48. Shishkin, M.; Kresse, G. Self-Consistent GW Calculations for Semiconductors and Insulators Phys. Rev. B 2007, 75, 235102
49. Shishkin, M.; Marsman, M.; Kresse, G. Accurate Quasiparticle Spectra from Self-Consistent GW Calculations with Vertex Corrections Phys. Rev. Lett. 2007, 99, 246403
50. 2 from First-principles AIP Adv. 2012, 2, 022172
51. Madelung, O.; Schulz, M.; Weiss, H., Eds. Landolt-Börnstein: Numerical Data and Functional Relationships in Science and Technology; Springer-Verlag: Berlin, 1982; Vol. 17b.
52. Wei, S.-H.; Zhang, S. B. Structure Stability and Carrier Localization in CdX (X = S, Se, Te) Semiconductors Phys. Rev. B 2000, 62, 6944-6947
53. Datta, S.; Saha-Dasgupta, T.; Sarma, D. D. Wannier Function Study of the Relative Stability of Zinc-Blende and Wurtzite Structures in the CdX (X = S, Se, Te) Series J. Phys.: Condens. Matter 2008, 20, 445217
54. Ribeiro, M., Jr; Ferreira, L. G.; Fonseca, L. R. C.; Ramprasad, R. CdSe/CdTe Interface Band Gaps and Band Offsets Calculated Using Spin-Orbit and Self-Energy Corrections Mater. Sci. Eng., B 2012, 177, 1460-1464
55. Ghosh, A.; Paul, S.; Raj, S. Structural Phase Transformation from Wurtzite to Zinc-Blende in Uncapped CdS Nanoparticles Solid State Commun. 2013, 154, 25-29
56. Madelung, O. Semiconductors: Data Handbook; Springer: Berlin/Heidelberg, 2004.
57. Hellwege, K.-H.; Madelung, O., Eds. Landolt-Börnstein: Numerical Data and Functional Relationships in Science and Technology, New Series; Springer-Verlag: New York, 1982; Vols. 17a and 22a.
58. Zakharov, O.; Rubio, A.; Blase, X.; Cohen, M. L.; Louie, S. G. Quasiparticle Band Structures of Six II-VI Compounds: ZnS, ZnSe, ZnTe, CdS, CdSe, and CdTe Phys. Rev. B 1994, 50, 10780-10787
59. Tkatchenko, A.; DiStasio, R. A., Jr.; Car, R.; Scheffler, M. Accurate and Efficient Method for Many-Body Van der Waals Interactions Phys. Rev. Lett. 2012, 108, 236402
60. Bučko, T.; Lebègue, S.; Hafner, J.; ángyán, J. G. Tkatchenko-Scheffler Van der Waals Correction Method with and without Self-Consistent Screening Applied to Solids Phys. Rev. B 2013, 87, 064110
61. Berger, C.; Song, Z.; Li, T.; Li, X.; Ogbazghi, A. Y.; Feng, R.; Dai, Z.; Marchenkov, A. N.; Conrad, E. H.; First, P. N. Ultrathin Epitaxial Graphite: 2D Electron Gas Properties and a Route toward Graphene-Based Nanoelectronics J. Phys. Chem. B 2004, 108, 19912-19916
62. Perepichka, D. F.; Rosei, F. Silicon Nanotubes Small 2006, 2, 22-25
63. Ataca, C.; Şahin, H.; Ciraci, S. Stable, Single-Layer MX2 Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like Structure J. Phys. Chem. C 2012, 116, 8983-8999