Atomistic simulation of the surface structure of the TiO2 polymorphs rutile and anatase

Journal of Materials Chemistry

Volumn 7, Issue 3, 1997, Pages 563-568

  Oliver, Peter M ^a   Watson, Graeme W ^a   Kelsey, E Toby ^a   Parker, Stephen C ^a  

^a UNIVERSITY OF BATH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001625154     PISSN: 09599428     EISSN: None     Source Type: Journal    
DOI: 10.1039/a606353e     Document Type: Article

References (35)

1. A. Fujishima and K. Honda, Nature (London), 1972, 238, 37.
2. Y. W. Chung, W. J. Lo and G. A. Somorjai, Surf. Sci., 1977, 64, 588.
3. C. A. Muryn, P. J. Hardman, J. J. Crouch, G. N. Raiker, G. Thornton and D. S. L. Law, Surf. Sci., 1991, 251/252, 747.
4. P. Zschack, J. B. Cohen and Y. W. Chung, Surf. Sci., 1992, 262, 395.
5. P. W. Murray, F. M. Leibsle, H. J. Fisher, C. F. Flipse, C. A. Muryn and G. Thornton, Phys. Rev. B, 1992 ,46, 12877.
6. R. V. Kasowski and R. H. Tait, Phys. Rev. B, 1992, 20, 5168.
7. M. Tsukada, C. Satoko and H. Adachi, J. Phys. Soc. Jpn., 1979, 47, 1610.
8. M. Ramamoorthy, R. D. King-Smith and D. Vanderbilt, Phys. Rev. B, 1994, 49, 7709.
9. M. Ramamoorthy, D. Vanderbilt and R. D. King-Smith, Phys. Rev. B, 1994, 49, 16723.
10. S. Munnix and M. Schmeits, Phys. Rev. B, 1984, 30, 2202.
11. P. M. Oliver, S. C. Parker, J. Purton and D. W. Bullett, Surf. Sci., 1994, 307-309, 1200.
12. A. Cordoba and J. J. Luque, Phys. Rev. B, 1985, 31, 8111.
13. S. Morad, Sedimentary Geology, 1986, 46, 77.
14. W. E. Ford and E. S. Dana, A Textbook of Mineralogy, Wiley, Chichester, 1958, 4th edn.
15. I. Kostov, Mineralogy, Nauka i Izkustvo, Sofia, 1968.
16. G. Munuera, F. Moreno and F. Gonzalez, Reactivity of Solids, ed. J. S. Anderson, M. W. Roberts and F. S. Stone, Chapman and Hall, London, 1972.
17. G. W. Watson, E. T. Kelsey, N. H. de Leeuw, D. J. Harris and S. C. Parker, J. Chem. Soc., Faraday Trans., 1996, 92, 433.
18. M. Matsui and M. Akoagi, Molecular Simulation, 1991, 6, 239.
19. D. E. Parry, Surf. Sci., 1975, 49, 433.
20. D. E. Parry, Surf. Sci., 1976, 54, 195.
21. P. P. Ewald, Ann. Phys., 1921, 64, 253.
22. P. W. Tasker, J. Phys. C: Solid State Phys., 1979, 12, 4977.
23. F. Bertaut, Compt. Rend., 1958, 246, 3447.
24. P. M. Oliver, S. C. Parker and W. C. Mackrodt, Modelling Simul. Mater. Sci. Eng., 1993, 1, 755.
25. G. Wulff, Z. Kristallogr. Kristallgeom., 1901, 39, 449.
26. J. W. Gibbs, Collected Works, Longman, New York, 1928.
27. H. Hilton, Mathematical Crystallography, Oxford, 1903.
28. H. Leibman, Z. Kristallogr., 1914, 53, 171.
29. M. von Laue, Z. Kristallogr., 1943, 105, 124.
30. I. N. Stranski, Z. Phys. Chem. B, 1938, 38, 451.
31. M. Volmer, Kinetik der Phasenbildung, Steinkopff, Leipzig, 1939.
32. J. D. Donnay and G. Harker, Am. Mineral., 1937, 22, 446.
33. P. Hartman and F. Bennema, J. Crystal Growth, 1980, 49, 145.
34. C. F. Woensdregt, Faraday Discuss., 1993, 95, 97.
35. W. A. Deer, R. A. Howie and J. Zussman, Rock Forming Minerals, Longmans, London, 1962, 1st edn., vol. 5.