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Electronic structures of the LaBO3 (B = Co, Fe, Al) perovskite oxides related to their catalysis

✍ Scribed by I. Kojima; H. Adachi; I. Yasumori

Book ID
104191990
Publisher
Elsevier Science
Year
1983
Weight
41 KB
Volume
130
Category
Article
ISSN
0167-2584

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The hexagonal perovskite-type oxides A x BO 3 (A ‫؍‬ Ca, Sr, Ba; B ‫؍‬ Co, Ni) consist of (BO 3 ) chains made up of face-sharing BO 6 octahedra and BO 6 trigonal prisms. On the basis of molecular orbital calculations for their structural building blocks we examined why the transition metal atoms in