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Electronic Structure of LaBO3(B=Mn,Fe,Co,Ni,Cu) Perovskites and La2NiO4

Published online by Cambridge University Press:  01 January 1992

P. De La Mora ,
C. De Teresa  and
L. Vicente
P. De La Mora
Affiliation:
Departamento de Física, Facultad de Ciencias, UNAM, 04510 México, D.F.
C. De Teresa
Affiliation:
Departamento de Física y Química Teórica, Facultad de Química, UNAM, 04510 México, D.F.
L. Vicente
Affiliation:
Departamento de Física y Química Teórica, Facultad de Química, UNAM, 04510 México, D.F.
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Abstract

The electronic structure ofLaBO3 perovskites and La2NiO4 perovskite- like materials (where B = Mn,Fe,Co,Ni,Cu) have been studied inside a tight binding scheme using the extended Hückel Method. An analysis of the metal- oxygen bond is presented as well as the electronic structure in order to establish a correlation between electronic properties and catalytic activity (oxidation) of these compounds.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 291: Symposium O – Materials Theory and Modeling , 1992 , 331
Copyright
Copyright © Materials Research Society 1993

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References

REFERENCES

1. Voorhoeve, R.J.H., Advanced Materials in Catalysis, (Academic Press New York, 1977).Google Scholar
2. Voorhoeve, R.J.H., Remeika, J.P., Trimble, L.E. and Mattias, B.T., Science, 177, 353 (1972).Google Scholar
3. Tejuca, L.G., Fierro, J.L.G. and Tascón, J.M.D., Advances in Catalysis, 36, 237 (1989).Google Scholar
4. Arai, H., Yamada, T., Eguchi, K. and Seiyama, T., Applied Catalysis, 26, 265 (1986).Google Scholar
5. Ichimura, K., Ynoue, Y., and Yasumori, I., Bull. Chem. Soc. Jpn. 54, 3044 (1980).Google Scholar
6. Vicente, L., Domínguez, J.M. and Pedraza, F. in Proc. 12th Iberoamerican Symposium on Catalysis, 4, Brasil, 1990,p.50.Google Scholar
7. Voorhoeve, R.J.H. in it Advanced Materials in Catalysis, Ed. by Burton, J.J. and Garten, R.L.., Academic Press, N. Y. (1977).pp. 129–175).Google Scholar
8. Beltrán, M., Tavizón, G., Viveros, T. and Vicente, L. it The Fourth Chemical Congress of North America, to be published.Google Scholar
9. Hoffmann, R., J. Chem. Phys. 39, 137 (1963).Google Scholar
10. Whanbo, M.H., Evain, M., Beno, M.A., Williams, J.M., Inorg. Chem. Soc. 26, 1832 (1987).Google Scholar
11. Beltrán, M., Domínguez, J.M., tavizón, G., Montoya, A., Vicente, L. and Viveros, T., Catalysis Letters, vol.15–16 (1992).Google Scholar
12. de la Mora, P., Keller, J., de Teresa, C., Proc. of the 2th. CINVESTAV Meeting on Superconductivity, Tequisquiapan, Mexico (1992), to be published.Google Scholar