Stabilization and band-gap tuning of the 1T-MoS2 monolayer by covalent functionalization

Chemistry of Materials

Volumn 27, Issue 10, 2015, Pages 3743-3748

  Tang, Qing ^a   Jiang, De En ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ENERGY GAP; LAYERED SEMICONDUCTORS; MOLYBDENUM COMPOUNDS; MONOLAYERS; TUNING;

CHEMICAL BONDINGS; CHEMICAL FUNCTIONALIZATION; COVALENT CHEMISTRY; COVALENT FUNCTIONALIZATIONS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FUNCTIONALIZATIONS; SURFACE FUNCTIONALIZATION; TWO-DIMENSIONAL MATERIALS;

SULFUR COMPOUNDS;

EID: 84930226694     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/acs.chemmater.5b00986     Document Type: Article

References (50)

1. Chhowalla, M.; Shin, H. S.; Eda, G.; Li, L.-J.; Loh, K. P.; Zhang, H. The Chemistry of Two-Dimensional Layered Transition Metal Dichalcogenide Nanosheets Nat. Chem. 2013, 5, 263-275
2. 2 Nanoparticles as Catalyst for Hydrogen Evolution J. Am. Chem. Soc. 2005, 127, 5308-5309
3. 2 Nanocatalysts Science 2007, 317, 100-102
4. Bernardi, M.; Palummo, M.; Grossman, J. C. Extraordinary Sunlight Absorption and One Nanometer Thick Photovoltaics Using Two-Dimensional Monolayer Materials Nano Lett. 2013, 13, 3664-3670
5. 2 Nanoplates Consisting of Disordered Graphene-like Layers for High Rate Lithium Battery Anode Materials Nano Lett. 2011, 11, 4826-4830
6. 2 Nano Lett. 2010, 10, 1271-1275
7. 2 Transistors Be? Nano Lett. 2011, 11, 3768-3773
8. 2 Transistors Nano Lett. 2012, 12, 4674-4680
9. 2 Nano Lett. 2013, 13, 3626-3630
10. 2: A Promising Layered Semiconductor ACS Nano 2014, 8, 4074-4099
11. 2 Atomic Monolayer Science 2014, 344, 488-490
12. Berweger, S.; Weber, J. C.; John, J.; Velazquez, J. M.; Pieterick, A.; Sanford, N. A.; Davydov, A. V.; Brunschwig, B.; Lewis, N. S.; Wallis, T. M.; Kabos, P. Microwave Near-Field Imaging of Two-Dimensional Semiconductors Nano Lett. 2015, 15, 1122-1127
13. 2 Nano Lett. 2015, 15, 339-345
14. 2 Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like Structure J. Phys. Chem. C 2012, 116, 8983-8999
15. 2 Elucidated by Electron Crystallography J. Am. Chem. Soc. 1999, 121, 638-643
16. Mattheiss, L. F. Band Structures of Transition-Metal-Dichalcogenide Layer Compounds Phys. Rev. B 1973, 8, 3719-3740
17. 2 Phys. Chem. Chem. Phys. 2000, 2, 1815-1827
18. 2 ACS Nano 2012, 6, 7311-7317
19. 2 Nat. Nanotechnol. 2014, 9, 391-396
20. 2 Transistors Nat. Nanotechnol. 2011, 6, 147-150
21. 2, a New Metallic Modification of Molybdenum-Disulfide J. Chem. Soc., Chem. Commun. 1992, 1386-1388
22. 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
23. 2 ACS Nano 2010, 4, 2695-2700
24. 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
25. 2 Nanosheets Prepared Using Electrochemical Exfoliation ACS Nano 2014, 8, 6902-6910
26. 2 Substrate Small 2012, 8, 966-971
27. 2 Layers Using Graphene As Growth Templates Nano Lett. 2012, 12, 2784-2791
28. 2 Atomic Layers with Chemical Vapor Deposition Adv. Mater. 2012, 24, 2320-2325
29. 2 Thin Layers on Insulating Substrates Nano Lett. 2012, 12, 1538-1544
30. Benavente, E.; Santa Ana, M. A.; Mendizabal, F.; Gonzalez, G. Intercalation Chemistry of Molybdenum Disulfide Coord. Chem. Rev. 2002, 224, 87-109
31. 2 Nano Lett. 2012, 12, 526-526
32. 2 Chem. Mater. 1997, 9, 879-882
33. 2 Nanosheets as Catalysts for Hydrogen Evolution Reaction Nano Lett. 2013, 13, 6222-6227
34. 2 and Related-Compounds Can. J. Phys. 1983, 61, 76-84
35. 2 Nanosheets J. Am. Chem. Soc. 2014, 136, 6693-6697
36. Zhou, W. Electron Microscopy: A Phase Transition Glides into View Nat. Nanotechnol. 2014, 9, 333-334
37. 2 with Heavily Nitrogenated Graphene Angew. Chem., Int. Ed. 2013, 52, 13057-13061
38. 2 Nanosheets J. Am. Chem. Soc. 2013, 135, 10274-10277
39. 2 Honeycomb Structures J. Phys. Chem. C 2011, 115, 13303-13311
40. 2 by Surface Ligand Functionalization for Enhanced Photoelectrochemical Hydrogen Production Activity Nanoscale 2014, 6, 13565-13571
41. Voiry, D.; Goswami, A.; Kappera, R.; Castro e Silva, C. d. C.; Kaplan, D.; Fujita, T.; Chen, M.; Asefa, T.; Chhowalla, M. Covalent Functionalization of Monolayered Transition Metal Dichalcogenides by Phase Engineering Nat. Chem. 2015, 7, 45-49
42. 2 Phases J. Phys. Chem. C 2011, 115, 24586-24591
43. Kresse, G.; Furthmuller, J. Efficient Iterative Schemes for ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
44. Blochl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
45. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
46. Aulbur, W. G.; Jonsson, L.; Wilkins, J. W. Quasiparticle Calculations in Solids Solid State Phys. 2000, 54, 1-218
47. Fuchs, F.; Furthmueller, J.; Bechstedt, F.; Shishkin, M.; Kresse, G. Quasiparticle Band Structure Based on a Generalized Kohn-Sham Scheme Phys. Rev. B 2007, 76, 115109
48. 2 J. Am. Chem. Soc. 2013, 135, 4584-4587
49. 2 in Solution J. Am. Chem. Soc. 2015, 137, 1742-1745
50. 2 Nano Lett. 2011, 11, 5111-5116