Electronic Properties and Chemical Reactivity of TiS2 Nanoflakes

Journal of Physical Chemistry C

Volumn 119, Issue 27, 2015, Pages 15707-15715

  Cucinotta, Clotilde S ^a   Dolui, Kapildeb ^a   Pettersson, Henrik ^a   Ramasse, Quentin M ^b   Long, Edmund ^a   O'Brian, Sean E ^a   Nicolosi, Valeria ^a   Sanvito, Stefano ^a  

^a TRINITY COLLEGE DUBLIN   (Ireland)

^b SUPERSTEM LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC PROPERTIES; HIGH RESOLUTION TRANSMISSION ELECTRON MICROSCOPY; SCANNING ELECTRON MICROSCOPY; TRANSITION METALS; VAN DER WAALS FORCES;

COMPREHENSIVE MODEL; COVALENTLY BONDED; FIRST-PRINCIPLES SIMULATIONS; LAMINAR STRUCTURE; PHOTOVOLTAIC MATERIALS; SCANNING TRANSMISSION ELECTRON MICROSCOPY; SURFACE CATALYSTS; TRANSITION METAL DICHALCOGENIDES;

TITANIUM ALLOYS;

EID: 84936887911     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b03212     Document Type: Article

References (35)

1. Chianelli, R. R.; Perez De La Rosa, M. Nanostructures Based on Layered Transition-Metal Chalgogenides. In Dekker Encyclopedia of Nanoscience and Nanotechnologies, 2nd ed.; Schwarz, J. A., Contescu, C. I., Putyera, K., Eds.; Dekker: New York, 2008, Vol. 6, 3080-3092.
2. Wilson, J. A.; Di Salvo, F. J.; Mahajan, S. Charge-Density Waves and Superlattices in the Metallic Layered Transition Metal Dichalcogenides Phys. Rev. Lett. 1974, 32, 882-885
3. Di Salvo, F. J. New Findings in Charge Density Wave Phenomena in Layered Compounds Physica B + C 1981, 105, 3-8
4. Novoselov, K. S.; Jiang, J.; 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
5. 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
6. Smith, R. J.; King, P. J.; Lotya, M.; Wirtz, C.; Khan, U.; De, S.; O'Neill, A.; Duesberg, G. S.; Grunlan, J. C.; Moriarty, G. Large-Scale Exfoliation of Inorganic Layered Compounds in Aqueous Surfactant Solutions Adv. Mater. 2011, 23, 3944-3948
7. 2 Ultrathin Nanosheets: High Two-Dimensional Conductivity for In-Plane Supercapacitors J. Am. Chem. Soc. 2011, 133, 17832-17838
8. 2 Nat. Mater. 2013, 12, 815-820
9. 2 Thin Layers on Insulating Substrates Nano Lett. 2012, 12, 1538-1544
10. 2 Nanosheets for Hydrogen Evolution Reaction Energy Environm. Sci. 2014, 7, 797-803
11. Whittingham, M. S. Lithium Batteries and Cathode Materials Chem. Rev. 2004, 104, 4271-4301
12. Han, J. H.; Lee, S.; Yoo, D.; Lee, J.-H.; Jeong, S.; Kim, J.-G.; Cheon, J. Unveiling Chemical Reactivity and Structural Transformation of Two-Dimensional Layered Nanocrystals J. Am. Chem. Soc. 2013, 135, 3736-3739
13. Brydson, R., Ed. Aberration/Corrected Analytical Transmission Electron Microscopy; John Wiley & Sons Ltd.: New York, 2011, IBSN: 978-0-470-51851-9.
14. Hohenberg, P.; Kohn, W. Inhomogeneous Electron Gas Phys. Rev. 1964, 136, B864-B871
15. Kohn, W.; Sham, L. J. Self-Consistent Equations Including Exchange and Correlation Effects Phys. Rev. 1965, 140, A1133-A1138
16. 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
17. VandeVondele, J.; Krack, M.; Mohamed, F.; Parrinello, M.; Chassaing, T.; Hutter, J. Quickstep: Fast and Accurate Density Functional Calculations Using a Mixed Gaussian and Plane Waves Approach Comput. Phys. Commun. 2005, 167, 103-128
18. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3838
19. Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17978
20. Heyd, J.; Scuseria, G. E.; Ernzerhof, M. Hybrid Functionals Based on a Screened Coulomb Potential J. Chem. Phys. 2003, 118, 8207-8215
21. Shishkin, M.; Kresse, G. Implementation and Performance of the Frequency-Dependent GW Method within the PAW Framework Phys. Rev. B 2006, 74, 035101-1-13
22. Henkelman, G.; Uberuaga, B.; Jónsson, H. A Climbing Image Nudged Elastic Band Method for Finding Saddle Points and Minimum Energy Paths J. Chem. Phys. 2000, 113, 9901-9904
23. Henkelman, G.; Jónsson, H. Improved Tangent Estimate in the Nudged Elastic Band Method for Finding Minimum Energy Paths and Saddle Points J. Chem. Phys. 2000, 113, 9978-9985
24. Goedecker, S.; Teter, M.; Hutter, J. Separable Dual-Space Gaussian Pseudopotentials J. Phys. Rev. B 1996, 54, 1703-1710
25. Egerton, R. F. Electron Energy-Loss Spectroscopy in the Electron Microscope, 2 nd ed.; Plenum Press: New York, 1996;, IBSN: 0-306-45223-5.
26. 2 Low Dimensional Structures Physica B 2012, 407, 3188-3191
27. 2 and Its Electric Transport Properties Under High Pressure J. Appl. Phys. 2011, 109, 053717-1-5
28. 2 Determined from a GGA+U Study with the Hubbard Terms Obtained Ab Initio Phys. Rev. B 2008, 78, 235121-1-6
29. 2 Phys. Rev. B 1997, 56, 4455-4463
30. Ivanovskaya, V. V.; Seifert, G.; Ivanovskiœ, A. L. Electronic Structure of Titanium Disulfide Nanostructures: Monolayers, Nanostripes, and Nanotubes Semiconductors 2005, 39, 1058-1065
31. 2 from First-Principles Calculations Solid State Science 2010, 12, 1786-1790
32. Aksoy, R.; Selvi, E.; Knudson, R.; Ma, Y. Z. A High Pressure x-Ray Diffraction Study of Titanium Disulphide J. Phys.: Condens. Matter 2009, 21, 025403-1-5
33. Wilsona, J. A.; Yoffe, A. D. The Transition Metal Dichalcogenides Discussion and Interpretation of the Observed Optical, Electrical and Structural Properties Adv. Phys. 1969, 18, 193-335 10.1080/00018736900101307
34. 2 Nanodisks Small 2008, 7, 945-950
35. 2 for Photoelectrochemical Applications J. Phys. Chem. C 2011, 115, 18042-18045