Collect. Czech. Chem. Commun. 2007, 72, 171-184
https://doi.org/10.1135/cccc20070171

Raman Spectroscopy of Nanocrystalline Li-Ti-O Spinels and Comparative DFT Calculations on TiyOz and LixTiyOz Clusters

Jakub Jirkovskýa, Kateřina Macounováa, Hartmut Dietzb, Waldfried Pliethb, Petr Krtila,* and Stanislav Záliša,*

a J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejškova 3, CZ-18223 Prague 8, Czech Republic
b Department of Physical Chemistry and Electrochemistry, Dresden University of Technology, Bergstraße 66b, DE-01062 Dresden, Germany

References

1. Ariyoshi K., Yamamoto R., Ohzuku T.: Electrochim. Acta 2005, 51, 1125. <https://doi.org/10.1016/j.electacta.2005.05.053>
2. Arico A. S., Bruce P., Scrosati B., Tarascon J. M., Van Schalkwijk W.: Nat. Mater. 2005, 4, 366. <https://doi.org/10.1038/nmat1368>
3. Persson P., Bergström R., Ojamäe L., Lunell S.: Adv. Quantum Chem. 2002, 41, 203. <https://doi.org/10.1016/S0065-3276(02)41054-4>
4. Fattakhova D., Krtil P.: J. Electrochem. Soc. 2002, 149, A1224. <https://doi.org/10.1149/1.1499500>
5. Peramunage D., Abraham K. M.: J. Electrochem. Soc. 1998, 145, 2609. <https://doi.org/10.1149/1.1838689>
6. Ohzuku T., Ueda A., Yamamoto N.: J. Electrochem. Soc. 1995, 142, 1431. <https://doi.org/10.1149/1.2048592>
7. Kavan L., Grätzel M.: Electrochem. Solid State Lett. 2002, A39. <https://doi.org/10.1149/1.1432783>
8. Kostlánová T., Dědeček J., Krtil P.: Electrochim. Acta 2007, 52, 1847. <https://doi.org/10.1016/j.electacta.2006.07.048>
9. Krtil P., Dědeček J., Kostlánová T., Brus J.: Electrochem. Solid State Lett. 2004, 7, A163. <https://doi.org/10.1149/1.1737710>
10. Van der Ven A., Ceder G.: Phys. Rev. B 1999, 59, 742. <https://doi.org/10.1103/PhysRevB.59.742>
11. Ceder G., Chiang Y. M., Sadoway D. R., Aydinol M. K., Jang Y. I., Huang B.: Nature 1998, 392, 694. <https://doi.org/10.1038/33647>
12. Aydinol M. K., Kohan A. F., Ceder G., Cho K., Joannopoulos J.: Phys. Rev. B 1997, 56, 1354. <https://doi.org/10.1103/PhysRevB.56.1354>
13. Han B. C., Van der Ven A., Morgan D., Ceder G.: Electrochim. Acta 2004, 49, 4691. <https://doi.org/10.1016/j.electacta.2004.05.024>
14. McHale J. M., Auroux A., Perrotta A. J., Navrotsky A.: Science 1997, 277, 788. <https://doi.org/10.1126/science.277.5327.788>
15. Benco L., Barras J.-L., Daul C. A., Deiss E.: Inorg. Chem. 1999, 38, 20. <https://doi.org/10.1021/ic9803558>
16. Mishra S. K., Ceder G.: Phys. Rev. B 1999, 59, 6120. <https://doi.org/10.1103/PhysRevB.59.6120>
17. Aldon L., Kubiak P., Womes M., Jumas J. C., Olivier-Fourcade J., Tirado J. L., Corredor J. I., Pérez Vincente C.: Chem. Mater. 2004, 16, 5721. <https://doi.org/10.1021/cm0488837>
18. Lippens P. E., Womes M., Kubiak P., Jumas J. C., Olivier-Fourcade J.: State Sci. 2004, 6, 161. <https://doi.org/10.1016/j.solidstatesciences.2003.12.001>
19. Ammundsen B., Burns G. R., Saiful Islam M., Kanoh H., Rozière J.: J. Phys. Chem. B 1999, 103, 5175. <https://doi.org/10.1021/jp984398l>
20. Persson P., Gebhardt J. C. M., Lunell S.: J. Chem. Phys. B 2003, 107, 3336. <https://doi.org/10.1021/jp022036e>
21. Noguera C.: Surf. Rev. Lett. 2001, 8, 121.
22. Albaret T., Finocchi F., Noguera C.: Faraday Discuss. 1999, 114, 285. <https://doi.org/10.1039/a903066b>
23. Albaret T., Finocchi F., Noguera C.: Appl. Surf. Sci. 1999, 144–145, 672. <https://doi.org/10.1016/S0169-4332(98)00896-4>
24. Hagfeldt A., Bergström R., Siegbahn H., Lunell S.: J. Phys. Chem. 1993, 97, 12725. <https://doi.org/10.1021/j100151a016>
25. Frisch M. J., Trucks G. W., Schlegel H. B., Scuseria G. E., Robb M. A., Cheeseman J. R., Montgomery J. A., Vreven T., Jr., Kudin K. N., Burant J. C., Millam J. M., Iyengar S. S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G. A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Klene M., Li X., Knox J. E., Hratchian H. P., Cross J. B., Adamo C., Jaramillo J., Gomperts R., Stratmann R. E., Yazyev O., Austin A. J., Cammi R., Pomelli C., Ochterski J. W., Ayala P. Y., Morokuma K., Voth G. A., Salvador P., Dannenberg J. J., Zakrzewski V. G., Dapprich S., Daniels A. D., Strain M. C., Farkas O., Malick D. K., Rabuck A. D., Raghavachari K., Foresman J. B., Ortiz J. V., Cui Q., Baboul A. G., Clifford S., Cioslowski J., Stefanov B. B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R. L., Fox D. J., Keith T., Al-Laham M. A., Peng C. Y., Nanayakkara A., Challacombe M., Gill P. M. W., Johnson B., Chen W., Wong M. W., Gonzalez C., Pople J. A.: Gaussian 03, Revision B.2. Gaussian, Inc., Pittsburgh (PA) 2003.
26. Francl M. M., Pietro W. J., Hehre W. J., Binkley J. S., DeFrees D. J., Pople J. A., Gordon M. S.: J. Chem. Phys. 1982, 77, 3654. <https://doi.org/10.1063/1.444267>
27. Andrae D., Haeussermann U., Dolg M., Stoll H., Preuss H.: Theor. Chim. Acta 1990, 77, 123. <https://doi.org/10.1007/BF01114537>
28. Becke A. D.: Phys. Rev. A 1988, 38, 3098. <https://doi.org/10.1103/PhysRevA.38.3098>
29. Perdew J. P., Wang Y.: Phys. Rev. B 1992, 45, 13244. <https://doi.org/10.1103/PhysRevB.45.13244>
30. Becke A. D.: J. Chem. Phys. 1993, 98, 5648. <https://doi.org/10.1063/1.464913>
31. Fatakhova D., Petrykin V. Brus J. Dědeček J., Krtil P.: Solid State Ionics 2005, 176, 1877. <https://doi.org/10.1016/j.ssi.2005.05.013>