Acetone-assisted oxygen vacancy diffusion on TiO 2(110)

Journal of Physical Chemistry Letters

Volumn 3, Issue 20, 2012, Pages 2970-2974

  Xia, Yaobiao ^a   Zhang, Bo ^a   Ye, Jingyun ^b   Ge, Qingfeng ^b   Zhang, Zhenrong ^a  

^a BAYLOR UNIVERSITY   (United States)

^b SOUTHERN ILLINOIS UNIVERSITY   (United States)

Author keywords

and Catalysis; Interfaces; Porous Materials; Surfaces

Indexed keywords

ALKYL GROUPS; DEFECT SITES; DENSITY FUNCTION THEORY CALCULATIONS; DIFFUSION CHANNELS; DIFFUSION MECHANISMS; FIVE-COORDINATED; STM IMAGES; TIO; TWO CHANNEL; VACANCY DIFFUSION;

DIFFUSION; INTERFACES (MATERIALS); POROUS MATERIALS; PROBABILITY DENSITY FUNCTION; SCANNING TUNNELING MICROSCOPY; SURFACE DEFECTS; SURFACES; TITANIUM DIOXIDE;

ACETONE;

EID: 84867648028     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz301293y     Document Type: Article

References (42)

1. Diebold, U. The Surface Science of Titanium Dioxide Surf. Sci. Rep. 2003, 48, 53-229
2. Henderson, A. M. A Surface Science Perspective on Photocatalysis Surf. Sci. Rep. 2011, 66, 185-297
3. 2(110)-(1 - 1): A Direct View at the Atomic Scale Prog. Surf. Sci. 2010, 85, 161-205
4. 2 J. Phys. Chem. B 2000, 104, 9836-9841
5. 2(110) Surfaces Surf. Sci. 2003, 544, 241-260
6. 2(110) J. Am. Chem. Soc. 2006, 128, 4198-4199
7. 2(110) Surf. Sci. 1996, 348, 1-16 (Pubitemid 126386315)
8. 2: A Combined High-Resolution STM and DFT Study Surf. Sci. 2005, 598, 226-245 (Pubitemid 41706170)
9. 2(110) Surface Surf. Sci. 1994, 302, 329-340
10. 2 Single-Crystal Surfaces Langmuir 1996, 12, 5093-5098 (Pubitemid 126536506)
11. 2(110) Nat. Mater. 2006, 5, 189-192 (Pubitemid 43320633)
12. Wendt, S.; Sprunger, P. T.; Lira, E.; Madsen, G. K. H.; Li, Z.; Hansen, J. O.; Matthiesen, J.; Blekinge-Rasmussen, A.; Laegsgaard, E.; Hammer, B. The Role of Interstitial Sites in the Ti3d Defect State in the Band Gap of Titania Science 2008, 320, 1755-1759 (Pubitemid 351931286)
13. 2(110) Chem. - Eur. J. 2011, 17, 4496-4506
14. 2(110) Reduction and Oxidation J. Phys.: Condens. Matter 2009, 21, 474224
15. 2 Nanoparticles J. Phys. Chem. C 2010, 114, 14121-14132
16. 2(110) Model Catalyst J. Phys. Chem. C 2010, 114, 17017-17022
17. 2(110): Conversion to Acetate Via Methyl Radical Ejection J. Phys. Chem. B 2005, 109, 12062-12070
18. 2: An in Situ Transmission FT-IR Study J. Cata. 2000, 191, 138-146
19. 2 Thin Films Catal. Today 2009, 143, 364-373
20. 2(110) J. Phys. Chem. B 2004, 108, 18932-18941
21. 2(110): A Scanning Tunneling Microscope Study J. Phys. Chem. C 2010, 114, 14579-14582
22. 2(110) J. Catal. 2008, 256, 287-292
23. Qiu, H.; Idriss, H.; Wang, Y.; Woell, C. Carbon-Carbon Bond Formation on Model Titanium Oxide Surfaces: Identification of Surface Reaction Intermediates by High-Resolution Electron Energy Loss Spectroscopy J. Phys. Chem. C 2008, 112, 9828-9834
24. 2(110). A Density Functional Study J. Phys. Chem. C 2009, 113, 19973-19980
25. 2(110) ACS Nano 2011, 5, 834-843
26. 2: Evidence for a Mars-Van Krevelen Mechanism J. Phys. Chem. C 2011, 115, 1330-1338
27. Trovarelli, A. Catalysis by Ceria and Related Materials; Catalytic Science Series; Imperial College Press: London, 2002; Vol. 2, p 508.
28. Masel, R. I. Chemical Kinetics and Catalysis; Wiley-Interscience: New York, 2001; p 952.
29. 2(110) Surf. Sci. 2008, 602, 2238-2249
30. 2(001) Surfaces: Evidence of Pinacol Formation J. Org. Chem. 1995, 60, 2405-2410
31. 2(101) J. Chem. Phys. 2009, 131, 054703
32. 2(110) Phys. Rev. Lett. 2008, 101, 156103
33. 2(110) Surface Science 2010, 328, 882-884
34. 2 Surf. Sci. 1999, 419, 174-187
35. Horcas, I.; Fernandez, R.; Gomez-Rodriguez, J. M.; Colchero, J.; Gomez-Herrero, J.; Baro, A. M. WSXM: A Software for Scanning Probe Microscopy and a Tool for Nanotechnology Rev. Sci. Instrum. 2007, 78, 013705
36. Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics for Open-Shell Transition Metals Phys. Rev. B 1993, 48, 13115-13118
37. 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
38. Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
39. Perdew, J.; Chevary, J.; Vosko, S.; Jackson, K.; Pederson, M.; Singh, D.; Flolahais, C. Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation Phys. Rev. B 1992, 46, 6671-6687
40. Mills, G.; Jonsson, H.; Schenter, G. Reversible Work Transiton State Theory: Application to Dissociative Adsorption of Hydrogen Surf. Sci. 1995, 324, 305-337
41. Jonsson, H. Theoretical Studies of Atomic-Scale Processes Relevant to Crystal Growth Annu. Rev. Phys. Chem. 2000, 51, 623-653
42. 2(110) Phys. Rev. Lett. 2007, 99, 126105