The interface structures formation and their effectiveness for enhancement of the phase stability in Ti/Si binary oxide

Materials Chemistry and Physics

Volumn 123, Issue 2-3, 2010, Pages 723-726

  Zhang, Weiwei ^a   Yao, Shuyu ^a   Han, Ye ^a   Sun, Haiqing ^a   Yin, Yansheng ^b  

^a SHANDONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b OCEAN UNIVERSITY OF CHINA   (China)

Author keywords

Ab initio calculations; Interface; Sol gel growth

Indexed keywords

AB INITIO CALCULATIONS; BINARY OXIDES; CLUSTER MODELS; CLUSTER STRUCTURE; CRYSTAL GROWING; DOPED-TIO; FOURIER; INFRARED SPECTRUM; INTERFACE STRUCTURES; INTERFACIAL CHARGE; INTERFACIAL STRUCTURES; OXIDE POWDER; OXYGEN ATOM; PHASE TRANSFORMATION; SOL-GEL GROWTH; SOL-GEL METHODS; TETRAHEDRAL CLUSTERS; THEORETICAL RESULT; TI CONTENT; TIO; TITANIUM ATOMS; VIBRATION SPECTRA;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; FREE ENERGY; GELS; INFRARED SPECTROSCOPY; OXYGEN; PHASE STABILITY; SILICON COMPOUNDS; SOL-GEL PROCESS; SOL-GELS; SOLS; TITANIUM; VIBRATION ANALYSIS;

PHASE INTERFACES;

EID: 77955325500     PISSN: 02540584     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matchemphys.2010.05.045     Document Type: Article

References (29)

1. A. Fujishima, and K. Honda Nature 238 1972 37
2. M. Yoshinaka, K. Hirota, and O. Yamaguchi J. Am. Ceram. Soc. 80 1997 2749
3. H. Kominami, M. Kohno, Y. Matsunaga, and Y. Kera J. Am. Ceram. Soc. 84 2001 1178
4. H. Zhang, X. Luo, J. Xu, B. Xiang, and D. Yu J. Phys. Chem. B 108 2004 14866
5. J. Marugan, M. Lopez, J. Maria, J. Aguado, and V.G. Rafael Catal. Today 124 2007 103
6. D. Panayotov, and J.T. Yates Jr. Chem. Phys. Lett. 381 2003 154
7. M.F. Best, and R.A. Condrate J. Mater. Sci. Lett. 4 1985 994
8. J. Zhai, L. Zhang, X. Yao, and S.N.B. Hodgson Surf. Coat. Technol. 138 2001 135
9. M. Taramasso, G. Perego, B. Notari, U. S. Patent No. 4,410,501 (1983).
10. G. Tozzola, M.A. Mantegazza, G. Ranghino, G. Petrini, S. Bordiga, G. Ricchiardi, C. Lamberti, R. Zulian, and A. Zecchina J. Catal. 179 1998 64
11. D. Scarano, A. Zecchina, S. Bordiga, F. Geobaldo, G. Spoto, G. Petrini, G. Leofanti, M. Padovan, and G. Tozzola J. Chem. Soc. 89 1993 4123
12. S. Bordiga, P. Ugliengo, A. Damin, C. Lamberti, G. Spoto, A. Zecchina, G. Spano, R. Buzzoni, L. Dalloro, and F. Rivetti Top. Catal. 15 2001 43
13. D. Trong On, A. Bittar, A. Sayari, S. Kaliaguine, and L. Bonneviot Catal. Lett. 16 1992 85
14. A.de. Man, and J. Sauer J. Phys. Chem. 100 1996 5025
15. W. Cho, D. Kang, and S. Kim J. Mater. Sci. 38 2003 2619
16. J.M. Thomas, and G. Sankar Acc. Chem. Res. 34 2001 571
17. R.J. Davis, and Z. Liu Chem. Mater. 9 1997 2311
18. H. Yamashita, S. Kawasaki, Y. Ichihashi, M. Harada, M. Takeuchi, and M. Anpo J. Phys. Chem. B 102 1998 5870
19. W. Zhang, S. Chen, S. Yu, and Y. Yin J. Cryst. Growth 308 2007 122
20. A.D. Becke J. Chem. Phys. 98 1993 1372
21. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
22. Johnson, J.R. Tobias, and P. Itai Inorg. Chem. 39 2000 3181
23. J. Sauer Chem. Rev. 89 1989 199
24. M. Frisch, G. Trucks, H. Schlegel, G. Scuseria, M. Robb, J. Cheeseman, V. Zakrzewski, J. Montgomery Jr., R. Stratmann, J. Burant, S. Dapprich, J. Millam, A. Daniels, K. Kudin, M. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. Petersson, P. Ayala, Q. Cui, K. Morokuma, N. Rega, P. Salvador, J.J. Dannenberg, D. Malick, A. Rabuck, K. Raghavachari, J. Foresman, J. Cioslowski, J. Ortiz, A. Baboul, B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. Martin, D. Fox, T. Keith, M. Al-Laham, C. Peng, A. Nanayakkara, M. Challacombe, P. Gill, B. Johnson, W. Chen, M. Wong, J. Andres, C. Gonzalez, M. Head-Gordon, E. Replogle, J. Pople, Gaussian Inc., Pittsburgh, PA, 1998.
25. W. Li, Er. Wei, and Zh. Yin Sci. China Ser. E 31 2001 487
26. A.A. Gribb, and J.F. Banfield Am. Mineral. 82 1997 717
27. G. Ricchiardi, A. Damin, S. Bordiga, C. Lambertu, G. Spano, F. Rivetti, and A. Zecchina J. Am. Chem. Soc. 123 2001 11409
28. H. Yamashita, S. Kawasaki, Y. Ichibashi, M. Harada, M. Takeuchi, M. Anpo, G. Stewart, M.A. Fox, C. Louis, and M. Che J. Phys. Chem. B 102 1998 5870
29. D. Sun, Y. Huang, B. Han, and G. Yang Langmuir 22 2006 4793