Electronic structure of epitaxial sn-doped anatase grown on SrTiO 3(001) by dip coating

Journal of Physical Chemistry C

Volumn 117, Issue 29, 2013, Pages 15221-15228

  Oropeza, F E ^a   Zhang, K H L ^a   Palgrave, R G ^a   Regoutz, A ^a   Egdell, R G ^a   Allen, J P ^b   Galea, N M ^b   Watson, G W ^b  

^a UNIVERSITY OF OXFORD   (United Kingdom)

^b TRINITY COLLEGE DUBLIN   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

ANATASE PHASE; ANATASE POLYMORPH; DIP COATING PROCEDURES; LOWER TEMPERATURES; ORIENTED FILMS; THERMODYNAMICALLY STABLE; UNDOPED MATERIAL; X RAY PHOTOEMISSION SPECTROSCOPY;

COATINGS; ELECTRONIC STRUCTURE; ENERGY GAP; EPITAXIAL FILMS; OXIDE MINERALS; PHASE TRANSITIONS; PHOTOELECTRON SPECTROSCOPY; SEMICONDUCTOR DOPING; STRONTIUM TITANATES; SURFACE SEGREGATION; TIN; TITANIUM DIOXIDE;

EPITAXIAL GROWTH;

EID: 84880833441     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp405054t     Document Type: Article

References (66)

1. Asahi, R.; Morikawa, T.; Ohwaki, T.; Aoki, K.; Taga, Y. Visible-Light Photocatalysis in Nitrogen-Doped Titanium Oxides Science 2001, 293, 269-271
2. 2: Theory and Experiment Chem. Phys. 2007, 339, 44-56
3. Qiu, X. F.; Burda, C. Chemically Synthesized Nitrogen-Doped Metal Oxide Nanoparticles Chem. Phys. 2007, 339, 1-10
4. 2 Surfaces-Principles, Mechanisms, and Selected Results Chem. Rev. 1995, 95, 735-758
5. 2 Surfaces J. Phys. Chem. 1995, 99, 335-344
6. Carp, O.; Huisman, C. L.; Reller, A. Photoinduced Reactivity of Titanium Dioxide Prog. Solid State Chem. 2004, 32, 33-177
7. Clendenen, R. L.; Drickamer, H. G. Lattice Parameters of 9 Oxides and Sulfides as a Function of Pressure J. Chem. Phys. 1966, 44, 4223-4228
8. Rao, K. V. K.; Naidu, S. V. N.; Iyengar, L. Thermal Expansion of Rutile and Anatase J. Am. Ceram. Soc. 1970, 53, 124-126
9. Semiconductors: Physics of Non-Tetrahedrally Bonded Binary Compounds II; Springer-Verlag: Berlin, 1984; Vol. 17, Pt. f.
10. 2 Phys. Rev. B 1995, 52, 7771-7774
11. Mo, S. D.; Ching, W. Y. Electronic and Optical-Properties of 3 Phases of Titanium-Dioxide-Rutile, Anatase, and Brookite Phys. Rev. B 1995, 51, 13023-13032
12. 2 Rutile and Anatase Polytypes: Performances of Different Exchange-Correlation Functionals J. Chem. Phys. 2007, 126, 154703/1-12
13. 2 Powders by EPR Spectroscopy and DFT Calculations J. Phys. Chem. B 2005, 109, 11414-11419
14. Livraghi, S.; Paganini, M. C.; Giamello, E.; Selloni, A.; Di Valentin, C.; Pacchioni, G. Origin of Photoactivity of Nitrogen-Doped Titanium Dioxide under Visible Light J. Am. Chem. Soc. 2006, 128, 15666-15671
15. Napoli, F.; Chiesa, M.; Livraghi, S.; Giamello, E.; Agnoli, S.; Granozzi, G.; Pacchioni, G.; Di Valentin, C. The Nitrogen Photoactive Centre in N-Doped Titanium Dioxide Formed via Interaction of N Atoms with the Solid. Nature and Energy Level of the Species Chem. Phys. Lett. 2009, 477, 135-138
16. 2 Active in Visible Light Photocatalysis Chem. Commun. 2005, 498-500
17. Livraghi, S.; Chierotti, M. R.; Giamello, E.; Magnacca, G.; Paganini, M. C.; Cappelletti, G.; Bianchi, C. L. Nitrogen-Doped Titanium Dioxide Active in Photocatalytic Reactions with Visible Light: A Multi-Technique Characterization of Differently Prepared Materials J. Phys. Chem. C 2008, 112, 17244-17252
18. 2 Nanoparticles Chem. Mater. 2008, 20, 2629-2636
19. x Powders J. Phys. Chem. B 2003, 107, 5483-5486
20. 2 Photocatalyst and Its Photooxidation of Ethanol J. Phys. Chem. B 2001, 105, 2815-2819
21. 2 Evolution from Aqueous Solutions Phys. Chem. Chem. Phys. 2005, 7, 2241-2245
22. 2 under Visible Light Irradiation J. Phys. Chem. B 2007, 111, 17420-17426
23. 2 by Sb Co-Doping: A Study by High Resolution X-Ray Photoemission Spectroscopy Chem. Phys. Lett. 2011, 515, 249-253
24. 2 Photocatalysts Phys. Chem. Chem. Phys. 2011, 13, 7882-7891
25. 2 Z. Kristallogr. 2000, 215, 424-428
26. 2 Phys. Rev. B 1995, 51, 6833-6837
27. 2 by 2-Photon Spectroscopy Phys. Rev. Lett. 1978, 41, 1750-1751
28. 2 Solid State Commun. 1998, 105, 649-652
29. 2 Angew. Chem., Int. Ed. 1958, 70, 603
30. 2 J. Phys. Chem. Solids 1990, 51, 977-988
31. 2 Solid Solutions for Gas Sensors Sens. Actuators, B 1998, 47, 194-204
32. 2 Phase Diagram Using the Molten-Salt Method J. Am. Ceram. Soc. 1998, 81, 2176-2180
33. 2 (0.0 < x < 0.1) Solid Solutions Chem. Mater. 2010, 22, 1551-1558
34. 2 from First-Principles Calculations J. Phys. Chem. C 2009, 113, 650-653
35. 2 Polymorphs J. Am. Ceram. Soc. 1979, 62, 356-357
36. 2 J. Phys. Chem. B 2000, 104, 3481
37. Shannon, R. D.; Pask, J. A. Kinetics of Anatase-Rutile Transformation J. Am. Ceram. Soc. 1965, 48, 391-398
38. Czanderna, A. W.; Rao, C. N. R.; Honig, J. M. The Anatase-Rutile Transition. 1. Kinetics of the Transformation of Pure Anatase Trans. Faraday Soc. 1958, 54, 1069-1073
39. 2 (Anatase) J. Am. Chem. Soc. 1957, 79, 5407-5409
40. 2) J. Appl. Phys. 2003, 93, 9537-9541
41. 3 Substrate by Laser Molecular-Beam Epitaxy Appl. Phys. Lett. 2001, 78, 2664-2666
42. 3 Substrates Using Reactive Molecular Beam Epitaxy J. Cryst. Growth 2008, 310, 545-550
43. 2 Anatase Appl. Phys. Lett. 2001, 79, 3467-3469
44. 2(111) Chem. Mater. 2009, 21, 4353-4355
45. 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
46. 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
47. Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
48. Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
49. 2O: The Failure of GGA and GGA Plus U J. Chem. Phys. 2009, 131, 124703/1-8
50. 2 J. Phys. Chem. C 2009, 113, 439-448
51. 5)-a Layered, Direct Band Gap, P-Type Transparent Conducting Oxychalcogenide: A Theoretical Analysis Chem. Mater. 2009, 21, 5435-5442
52. Allen, J. P.; Scanlon, D. O.; Watson, G. W. Electronic Structures of Silver Oxides Phys. Rev. B 2011, 84, 115141/1-14
53. Heyd, J.; Scuseria, G. E. Efficient Hybrid Density Functional Calculations in Solids: Assessment of the Heyd-Scuseria-Ernzerhof Screened Coulomb Hybrid Functional J. Chem. Phys. 2004, 121, 1187-1192
54. 2 J. Mater. Chem. 2012, 22, 25236-24245
55. 2: A Density Functional Theory Analysis Chem. Mater. 2009, 21, 4568-4576
56. 2 J. Mater. Chem. 2011, 21, 3655-3633
57. Allen, J. P.; Scanlon, D. O.; Parker, S. C.; Watson, G. W. Tin Monoxide: Structural Prediction from First Principles Calculations with Van der Waals Corrections J. Phys. Chem. C 2011, 115, 19916-19924
58. Cox, P. A.; Egdell, R. G.; Harding, C.; Orchard, A. F.; Patterson, W. R.; Tavener, P. J. Free Electron Behaviour of Carriers in Sb-Doped Tin Dioxide Solid State Commun. 1982, 44, 837-839
59. Cox, P. A.; Egdell, R. G.; Harding, C.; Patterson, W. R.; Tavener, P. J. Surface Properties of Antimony-Doped Tin Oxide Surf. Sci. 1982, 123, 179-203
60. Egdell, R. G.; Flavell, W. R.; Tavener, P. Antimony Doped Tin(IV) Oxide: Surface Composition and Electronic Structure J. Solid State Chem. 1984, 51, 345-354
61. 2 Surf. Sci. 1994, 315, 351-361
62. 3 Ceramics J. Solid State Chem. 1987, 68, 340-350
63. 2-Cationic Origin of the Defect Band-Gap States Phys. Rev. B 1990, 42, 11914-11925
64. 3 Phys. Rev. B 2009, 79, 205211/1-10
65. Walsh, A.; Catlow, C. R. A.; Zhang, K. H. L.; Egdell, R. G. Band Gap Control of Metal Oxides Through Epitaxial Strain the Case of Indium Oxide Phys. Rev. B 2011, 83, 161202/1-4
66. 2 (111) J. Phys.: Condens. Matter 2011, 23, 334211/1-8