Surface structure and reactivity of anatase TiO2 crystals with dominant {001} facets

Journal of Physical Chemistry C

Volumn 117, Issue 12, 2013, Pages 6358-6362

  Selçuk, Sencer ^a   Selloni, Annabella ^a  

^a PRINCETON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANATASE CRYSTALS; ANATASE TIO; DENSITY FUNCTIONAL THEORY CALCULATIONS; EXPERIMENTAL OBSERVATION; FIRST PRINCIPLES MOLECULAR DYNAMICS; HF SOLUTIONS; PHOTOCATALYTIC ACTIVITIES; RECONSTRUCTED SURFACES;

DENSITY FUNCTIONAL THEORY; HYDROFLUORIC ACID; MOLECULAR DYNAMICS; PHOTOCATALYSIS;

TITANIUM DIOXIDE;

EID: 84875715791     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp402100v     Document Type: Article

References (30)

1. Diebold, U. The Surface Science of Titanium Dioxide Surf. Sci. Rep. 2003, 48, 53-229
2. 2 Photocatalysis Surf. Sci. Rep. 2011, 66, 185-297
3. 2-New Photochemical Processes Chem. Rev. 2006, 106, 4428-4453
4. 2 Photocatalysis and Related Surface Phenomena Surf. Sci. Rep. 2008, 63, 515-582
5. 2 Nanocrystals J. Am. Chem. Soc. 2003, 125, 15981-15985
6. 2 Single Crystals with a Large Percentage of Reactive Facets Nature 2008, 453, 638-641
7. Dinh, C. T.; Nguyen, T. D.; Kleitz, F.; Do, T. O. Shape-Controlled Synthesis of Highly Crystalline Titania Nanocrystals ACS Nano 2009, 3, 3737-3743
8. 2 Nanosheets Dominated with {001} Facets: Thickness-Controlled Synthesis, Growth Mechanism and Water-Splitting Properties CrystEngComm 2011, 13, 1378-1383
9. 2 J. Mater. Chem. 2011, 21, 7052-7061
10. 2 Nanosheets Dominated by {001} Facets Chem.-Eur. J. 2011, 17, 1423-1427
11. 2 Nanosheets with Nearly 100% Exposed (001) Facets for Fast Reversible Lithium Storage J. Am. Chem. Soc. 2010, 132, 6124-6130
12. 4 to Engineer Morphology, Oxygen Vacancy Concentration, and Photocatalytic Activity J. Am. Chem. Soc. 2012, 134, 6751-6761
13. 2 Exposed by Highly Reactive Facets J. Phys. Chem. Lett. 2011, 2, 725-734
14. 2 Crystals with Exposed High-Index Facets Angew. Chem., Int. Ed. 2011, 50, 3764-3768
15. 2 Particles and Their Roles in Photocatalytic Reactions New. J. Chem. 2002, 26, 1167-1170
16. 2 Powders and Precursor to Their Highly Efficient Photosensitizer Chem. Mater. 1997, 9, 430-439
17. 2 Anatase Surfaces Phys. Rev. B 2001, 63, 1-9
18. 2 Nanoparticles: The Role of the Minority (001) Surface J. Phys. Chem. B 2005, 109, 19560-19562
19. 2 Anatase (101) and (001) Surfaces Phys. Rev. Lett. 1998, 81, 2954-2957
20. 2 (001) Surface Phys. Rev. Lett. 2000, 84, 3354-3357
21. Selloni, A. Crystal Growth-Anatase Shows Its Reactive Side Nat. Mater. 2008, 7, 613-615
22. Car, R.; Parrinello, M. Unified Approach for Molecular Dynamics and Density-Functional Theory Phys. Rev. Lett. 1985, 55, 2471-2474
23. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
24. 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
25. 2 (001)-(1 × 4) Surface Phys. Rev. Lett. 2001, 87, 24-27
26. 2 and γ-Alumina Catalytic Supports J. Catal. 2004, 222, 152-166
27. Nist Chemistry Webbook. http://webbook.nist.gov/chemistry/ (accessed on 22 September 2013).
28. 2(001): Geometries, Energetics, and Effects of Coverage, Hydration, and Reconstruction J Phys. Chem. B 2006, 110, 2804-2811
29. 2 Crystals Angew. Chem., Int. Ed. 2011, 50, 2133-2137
30. 2 Photocatalysis from Single-Molecule Imaging and Kinetic Analysis J. Am. Chem. Soc. 2011, 133, 7197-7204