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Oxygen Ion and Proton Transport in Mixed Metal Oxides

Published online by Cambridge University Press:  10 February 2011

M. Saiful Islam
M. Saiful Islam*
Affiliation:
Department of Chemistry, University of Surrey, Guildford GU2 5XH, UKm.islam@surrey.ac.uk
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Abstract

Computational techniques are now well established tools in the study of structural properties and transport mechanisms in solid state ionic materials. This paper will highlight recent developments of such methods, with a strong emphasis on their use in the elucidation of ion diffusion mechanisms or pathways at the atomic level. In particular, contemporary work will be illustrated by accounts of calculations on oxygen ion and proton conduction in LaMO3 perovskite-type oxides, which find use in various electrochemical applications. We have used atomistic simulation, molecular dynamics (MD) and ab initio techniques to provide fresh insight as to their defect and ion diffusion properties.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 527: Symposium Z – Diffusion Mechanisms in Crystalline Materials , 1998 , 457
Copyright
Copyright © Materials Research Society 1998

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References

REFERENCES

1. Steele, B.C.H. in Solid State Ionics eds Balkanski, M., Takahashi, T. and Tuller, H.L, Elsevier, Amsterdam (1992)Google Scholar
2. Kendall, K.R., Navas, C., Thomas, J.K. and Loye, H.C. zur, Solid State Ionics, 82 215 (1995)Google Scholar
3. Minh, N.Q., J. Am. Ceramic Soc., 76 563 (1993)Google Scholar
4. Ishihara, T., Matsuda, H. and Takita, Y., J. Am. Chem. Soc., 116 3801 (1994)Google Scholar
5. Kreur, K.D., Solid State Ionics, 97 1 (1997)Google Scholar
6. Islam, M.S., Ilett, D.J. and Parker, S.C., J. Phys. Chem., 98 9637 (1994)Google Scholar
7. Balducci, G., Kaspar, J., Fomasiero, P., Graziani, M., Islam, M.S. and Gale, J.D., J. Phys. Chem., 101 1750 (1997)Google Scholar
8. Islam, M.S., Read, M.S.D. and D'Arco, S., Faraday Discuss., 106 367 (1997)Google Scholar
9. Islam, M.S. and Winch, L.J., Phys. Rev. B 52 10510 (1995)Google Scholar
10. Catlow, C.R.A. in Solid State Chemistry: Techniques eds Cheetham, A.K. and Day, P., Clarendon Press, Oxford (1987)Google Scholar
11. Smith, W. and Forester, T.R., J. Molec. Graphics, 14 136 (1996)Google Scholar
12. Pisani, C., Dovesi, R. and Roetti, C. (editors), Lecture Notes in Chemistry, Vol 48, Springer, Heidelberg (1988)Google Scholar
13. Belzner, A, Gur, T M and Huggins, R A, Solid State Ionics, 57 327 (1992)Google Scholar
14. Yasuda, I. amd Hishinuma, M., J. Solid State Chem., 123 382 (1996)Google Scholar
15. Ishigaki, T., Yamauchi, S., Kishio, K., Mizusaki, J. and Fueki, K., J. Solid State Chem., 73 179 (1988)Google Scholar
16. Elshof, J.E. ten, Bouwmeester, H.J.M. and Verweij, H., Solid State Ionics, 89 81 (1996)Google Scholar
17. Doom, R.H.E. van, Fullarton, I.C., Souza, R.A. de, Kilner, J.A., Bouwmeester, H.J.M. and Burgraaf, A.J., Solid State Ionics, 96 1 (1997)Google Scholar
18. Ishihara, T., Kilner, J.A., Honda, M. and Takita, T., J. Am. Chem Soc., 119 2747 (1997)Google Scholar
19. Drennan, J., Zelizko, V., Hay, D., Ciacchi, F.T., Rajendran, S. and Badwal, S.P., J. Mater. Chem., 7 79 (1997)Google Scholar
20. Benson, S.J., Chater, R.J. and Kilner, J.A., (1998) in pressGoogle Scholar
21. Cherry, M., Islam, M.S. and Catlow, C.R.A., J. Solid State Chem., 118 125 (1995)Google Scholar
22. Li, X. and Hafskjold, B., J. Phys. Condens. Matter, 7 1255 (1995)Google Scholar
23. Kreuer, K.D., Chem. Mater. 8 610 (1996)Google Scholar
24. Iwahara, H., Solid State Ionics 77 289 (1995).Google Scholar
25. Ruiz-Trejo, E. and Kilner, J.A. in High Temperature Electrochemistry, editors Poulsen, F.W. et al, Riso National Laboratory, Roskilde (1996)Google Scholar
26. Larring, Y. and Norby, T., Solid State Ionics 70/71, 305 1994)Google Scholar
27. Cherry, M., Islam, M.S., Gale, J.D. and Catlow, C.R.A., J. Phys. Chem., 99 14614 (1995)Google Scholar
28. Feng, M. and Goodenough, J.B., Eur. J. Solid State Inorg. Chem., 31 663 (1994)Google Scholar
29. Amos, R.D., CADPAC v5.1, Cambridge University (1992)Google Scholar