A hybrid density functional study of water adsorption on rutile TiO 2(110) for applications in solar hydrogen production

Technical Proceedings of the 2011 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2011

Volumn 1, Issue , 2011, Pages 779-782

  Patel, M ^a   Mallia, G ^a   Liborio, L ^a   Harrison, N M ^a,b  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

^b DARESBURY LABORATORY   (United Kingdom)

Author keywords

(110) surface; Coverage dependence; Rutile titanium dioxide; Water adsorption

Indexed keywords

ADSORPTION MODES; ADSORPTION OF WATER; COVERAGE DEPENDENCE; DISSOCIATIVE WATER ADSORPTION; HYBRID DENSITY FUNCTIONAL; HYBRID EXCHANGE; PERIODIC DENSITY; RUTILE TIO; SOLAR HYDROGEN PRODUCTION; SURFACE UNITS; TIO; WATER ADSORPTION;

ADSORPTION; BINDING ENERGY; DENSITY FUNCTIONAL THEORY; DEWATERING; DISSOCIATION; FILMS; HYBRID MATERIALS; HYDROGEN; HYDROGEN PRODUCTION; NANOCOMPOSITE FILMS; NANOTECHNOLOGY; OXIDE MINERALS; SOLAR ENERGY; SOLAR POWER GENERATION; SURFACES; TITANIUM; TITANIUM DIOXIDE;

DRIERS (MATERIALS);

EID: 81455140852     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

References (41)

1. A. J. Bard and M. A. Fox Acc. Chem. Res., vol. 28, pp. 141-145, 1995.
2. N. S. Lewis and D. G. Nocera Proc. Natl. Acad. Sci. U.S.A, vol. 103, pp. 15729-15735, 2006.
3. E. Serrano, G. Rus, and J. Garcia-Martinez Renew. Sust. Energ. Rev., vol. 13, pp. 2373-2384, 2009.
4. B. O'Regan and M. Grätzel Nature, vol. 353, pp. 737-740, 1991.
5. B. C. H. Steele and A. Heinzel Nature, vol. 414, pp. 345-352, 2001.
6. M. S. A. Abdel-Mottaleb, F. Nüesch, and M. M. S. A. Abdel-Mottaleb Int. J. Photoenerg., vol. 2009, pp. 525968-525970, 2009.
7. M. Li, M. K. H. Leung, D. Y. C. Leung, and K. Sumathy Renew. Sust. Energ. Rev., vol. 11, pp. 401-425, 2007.
8. A. Fujishima Nature, vol. 238, pp. 37-38, 1972.
9. M. Haruta, N. Yamada, T. Kobayashi, and S. Iijima J. Catal., vol. 115, pp. 301-309, 1989.
10. K. J. Klabunde, L. Erickson, O. Koper, and R. Richards, Nanoscale Mater, in Chem.: Env. App. American Chemical Society, 2010.
11. Y. Zhu, J. Shi, Z. Zhang, C. Zhang, and X. Zhang Anal. Chem., vol. 74, pp. 120-124, 2002.
12. A. Fujishima, T. N. Rao, and D. A. Tryk J. Photoch. Photobio. C, vol. 1, pp. 1-21, 2000.
13. M. Grätzel Nature, vol. 414, pp. 338-344, 2001.
14. U. Diebold Surf. Sci. Reports, vol. 48, pp. 53-229, 2003.
15. V. E. Henrich and P. A. Cox, The Surf. Sci. of Metal Oxides. Cambridge University Press, 1994.
16. R. L. Kurtz, R. Stock-Bauer, T. E. Msdey, E. Romn, and J. D. Segovia Surf. Sci., vol. 218, pp. 178-200, 1989.
17. M. B. Hugenschmidt, L. Gamble, and C. T. Campbell Surf. Sci., vol. 302, pp. 329-340, 1994.
18. M. A. Henderson Langmuir, vol. 12, pp. 5093-5098, 1996.
19. D. Brinkley, M. Dietrich, T. Engel, P. Farrall, G. Gantner, A. Schafer, and A. Szuchmacher Surf. Sci., vol. 395, pp. 292-306, 1998.
20. R. Schaub, P. Thostrup, N. Lopez, E. Lægsgaard, I. Stensgaard, J. K. Nørskov, and F. Besenbacher Phys. Rev. Lett., vol. 87, p. 266104, 2001.
21. I. M. Brookes, C. A. Muryn, and G. Thornton Phys. Rev. Lett., vol. 87, p. 266103, 2001.
22. J. Goniakowski and M. J. Gillan Surf. Sci., vol. 350, pp. 145-158, 1996.
23. S. P. Bates, G. Kresse, and M. J. Gillan Surf. Sci., vol. 409, pp. 336-349, 1998.
24. M. Menetrey, A. Markovits, and C. Minot Surf. Sci., vol. 524, pp. 49-62, 2003.
25. C. Zhang and P. J. D. Lindan J. Chem. Phys, vol. 118, pp. 4620-4631, 2003.
26. D. Vogtenhuber, R. Podloucky, and J. Redinger Surf. Sci., vol. 402-404, pp. 798-801, 1998.
27. M. Casarin, C. Maccato, and A. Vittadini Applied Surf. Sci., vol. 142, pp. 196-199, 1999.
28. V. E. Henrich, G. Dresselhaus, and H. J. Zeiger Solid State Commun., vol. 24, pp. 623-626, 1977.
29. S. Eriksen, P. Naylor, and R. Egdell Spectrochim. Acta A, vol. 43, pp. 1535-1538, 1987.
30. L. A. Harris and A. A. Quong Phys. Rev. Lett., vol. 93, p. 086105, Aug 2004.
31. B. Hammer, S. Wendt, and F. Besenbacher Top. Catal., vol. 53, pp. 423-430, 2010.
32. P. J. D. Lindan, J. Muscat, S. Bates, N. M. Harrison, and M. Gillan Faraday Discuss., vol. 106, pp. 135-154, 1997.
33. P. J. D. Lindan, N. M. Harrison, and M. J. Gillan Phys. Rev. Lett., vol. 80, pp. 762-765, 1998.
34. R. Dovesi, V. R. Saunders, C. Roetti, R. Orlando, C. M. Zicovich-Wilson, F. Pascale, B. Civalleri, K. Doll, N. M. Harrison, I. J. Bush, P. D'Arco, and M. Llunell, CRYSTAL09. Università di Torino, Torino, 2010.
35. A. D. Becke J. Chem. Phys., vol. 98, p. 5648, 1993.
36. C. Lee, W. Yang, and R. G. Parr Phys. Rev. B, vol. 37, pp. 785-789, 1988.
37. J. Muscat, A. Wander, and N. Harrison Chem. Phys. Lett., vol. 342, pp. 397-401, 2001.
38. F. Corà, M. Alfredsson, G. Mallia, D. Middlemiss, W. Mackrodt, R. Dovesi, and R. Orlando in Principles and Applications of Density Functional Theory in Inorganic Chemistry II (N. Kaltsoyannis and J. McGrady, eds.), vol. 113, pp. 171-232, Springer Berlin / Heidelberg, 2004.
39. Z. ying Chen and J. long Yang Front. Phys. China, vol. 1, pp. 339-343, 2006.
40. J. Scaranto, G. Mallia, and N. Harrison Comp. Mater. Sci., vol. 50, pp. 2080-2086, 2011.
41. P. J. D. Lindan and C. Zhang Phys. Rev. B, vol. 72, p. 075439, 2005.