Acetaldehyde adsorption and condensation on anatase TiO2: Influence of acetaldehyde dimerization

Journal of Molecular Catalysis A: Chemical

Volumn 381, Issue , 2014, Pages 77-88

  Stefanov, B I ^a   Topalian, Z ^a   Granqvist, C G ^a   Osterlund L ^a  

^a UPPSALA UNIVERSITY   (Sweden)

Author keywords

Acetaldehyde; Adsorption; DFT; Dimer; FTIR; TiO2

Indexed keywords

ACETALDEHYDE ADSORPTION; ADSORBED SPECIES; DFT; DFT CALCULATION; ESSENTIAL FEATURES; FTIR; KINETIC MODELING; TIO;

ADSORPTION; CONDENSATION REACTIONS; DENSITY FUNCTIONAL THEORY; DIMERS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; TITANIUM DIOXIDE;

ACETALDEHYDE;

EID: 84887047334     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2013.10.005     Document Type: Article

References (51)

1. W.W. Nazaroff, and C.J. Weschler Atmos. Environ. 38 2004 2841 2865
2. J.-Y. An, S. Kim, H.-J. Kim, and J. Seo Build. Environ. 45 2010 1826 1833
3. S. Willburn Am. J. Nurs. 99 7 1999 71 73
4. International Agency for Research on Cancer (IARC), The IARC Monographs Series. Overall Evaluations of Carcinogenicity to Humans, Acetaldehyde [75-07-0] (Vol. 71, 1999), Formaldehyde [50-00-0] (Vol. 88, 2004); http://monographs. iarc.fr/monoeval/grlist.html.
5. European Agency for Safety and Health at Work, European Risk Observatory Report. Exploratory Survey of Occupational Exposure Limits for Carcinogens, Mutagens and Reprotoxic substances at EU Member States Level, 2009; http://osha.europa.eu/en/publications/reports/548OELs/view.
6. Occupational Safety and Health Administration (OSHA) Permissible Exposure Limits 2005 Occupational Safety and Health Administration Washington, DC
7. 2 Photocatalysis: Fundamentals and Applications 1999 Bkc Tokyo
8. I. Sopyan, M. Watanabe, S. Murasawa, K. Hashimoto, and A. Fujishima J. Photochem. Photobiol. A: Chem. 98 1996 79 86
9. E. Obuchi, T. Sakamoto, K. Nakano, and F. Shiraishi Chem. Eng. Sci. 54 1999 1525 1530
10. H. Hu, W.-J. Xiao, I. Yuan, J.-W. Shi, M.-X. Chen, and W.-F. Shang Guan J. Environ. Sci. 19 2007 80 85
11. Y. Ohko, D.A. Tryk, K. Hashimoto, and A. Fujishima J. Phys. Chem. B 102 1998 2699 2704
12. X. Ye, D. Chen, J. Gossage, and K. Li J. Photochem. Photobiol. A: Chem. 183 2006 35 40
13. M.D. Hernández-Alonso, I. Tejedor-Tejedor, J.M. Coronado, M.A. Anderson, and J. Soria Catal. Today 143 2009 364 373
14. D.S. Muggli, J.T. McCue, and J.L. Falconer J. Catal. 173 1998 470 483
15. M.L. Sauer, and D.F. Ollis J. Catal. 158 1996 570 582
16. R.T. Zehr, and M.A. Henderson Surf. Sci. 602 2008 2238 2249
17. H. Idriss, and M.A. Barteau Catal. Lett. 40 1996 147 153
18. M. Singh, N. Zhou, D.K. Paul, and K.J. Klabunde J. Catal. 260 2008 371 379
19. H. Idriss, C. Diagne, J.P. Hindermann, A. Kiennemann, and M.A. Barteau J. Catal. 155 1995 219 237
20. V.V. Ordomsky, V.L. Sushkevich, and I.I. Ivanova J. Mol. Catal. A: Chem. 333 2010 85 93
21. J. Raskó, and J. Kiss Catal. Lett. 101 2005 71 77
22. J. Rasko, T. Kecskes, and J. Kiss Appl. Catal. A: Gen. 287 2005 244 251
23. A.C. Vawdrey, J.L. Oscarson, R.L. Rowley, and W.V. Wilding Fluid Phase Equilib. 222-223 2004 239 245
24. S.W. Milverton Proc. Roy. Soc. London A 150 1935 287 308
25. E.A. Alexander, and J.D. Lambert Trans. Faraday Soc. 37 1941 421 426
26. J.D. Lambert, G.A.H. Roberts, J.S. Rowlinson, and V.J. Wilkinson Proc. Roy. Soc. London A 196 1949 113 125
27. L.A. Curtiss, and M. Blander Chem. Rev. 88 1988 827 841
28. C. Guo-Qiang, and D. Nan Acta Phys.-Chim. Sin. 7 3 1991 270 275
29. K. Tabayashi, M. Chohda, T. Yamanaka, Y. Tsutsumi, O. Takahashi, H. Yoshida, and M. Taniguchi J. Phys.: Conf. Ser. 235 2010 012017/1-012017/10
30. J.M. Hermida-Ramón, and M.A. Ríos Chem. Phys. Lett. 290 1998 431 436
31. Z. Topalian, B.I. Stefanov, C.G. Granqvist, and L. Österlund J. Catal. 307 2013 265 274
32. A. Mattson, M. Leideborg, K. Larsson, G. Westin, and L. Österlund J. Phys. Chem. B 110 2006 1210 1220
33. Z. Topalian, G.A. Niklasson, C.G. Granqvist, and L. Österlund Thin Solid Films 518 2009 1341 1344
34. Development Core Team R: A Language and Environment for Statistical Computing 2011 R Foundation for Statistical Computing Vienna, Austria http://www.R-project.org/
35. M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S.-J. Su, T.L. Windus, M. Dupuis, and J.A. Montgomery Jr. J. Comput. Chem. 14 1993 1347 1363
36. Y. Zhao, and D.G. Truhlar Theor. Chem. Acc. 120 2008 215 241
37. Y. Zhao, and D.G. Truhlar Acc. Chem. Res. 41 2008 157 167
38. M. Horn, C.F. Schwerdtfeger, and E.P. Meagher Z. Kristallogr. 136 1972 273 281
39. S. Huzinaga Gaussian Basis Sets for Molecular Calculations, Physical Sciences Data 16 1984 Elsevier Amsterdam
40. P.J. Hay, and W.R. Wadt J. Chem. Phys. 82 1985 270 283
41. K.L. Schuchardt, B.T. Didier, T. Elsethagen, L. Sun, V. Gurumoorthi, J. Chase, J. Li, and T.L. Windus J. Chem. Inf. Model. 47 2007 1045 1052
42. R. Ditchfield, W.J. Hehre, and J.A. Pople J. Chem. Phys. 54 1971 724 728
43. W.J. Hehre, R. Ditchfield, and J.A. Pople J. Chem. Phys. 56 1972 2257 2261
44. V.A. Rassolov, J.A. Pople, M.A. Ratner, and T.L. Windus J. Chem. Phys. 109 1998 1223 1229
45. S.F. Boys, and F. Bernardi Mol. Phys. 19 1970 553 566
46. National Institute of Standards and Technology (NIST), Precomputed Vibrational Scaling Factors; http://cccbdb.nist.gov/vibscalejust.asp.
47. J.E. Rekoske, and M.A. Barteau Langmuir 15 1999 2061 2070
48. J. Raskó, and J. Kiss Appl. Catal. A: Gen. 287 2005 252 260
49. W.-C. Wu, S.-J. Yang, C.-H. Ho, Y.-S. Lin, L.-F. Liao, and J.-L. Lin J. Phys. Chem. B 110 2006 9627 9631
50. Z. Zhao, Z. Li, and Z. Zou Phys. Lett. A 375 2011 2939 2945
51. T.Z. Srnak, J.A. Dumesic, B.S. Clausen, E. Törnqvist, and N.-Y. Topsøe J. Catal. 135 1992 246 262