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- W2046724797 abstract "The discrete-variational (DV) X α molecular orbital method has been applied to investigate the bulk and surface electronic structures of perovskite oxides such as LaCoO3, LaFeO3 and LaAlO3. The calculated XPS spectra for these oxides are in good agreement with the experimental ones and only the LaCoO2 exhibited a rather high electron density of states near the Fermi level (EF). The catalytic behavior of these oxides is discussed on the basis of their electronic structures; the marked catalysis by LaCoO3 is associated with electron occupation of crystal field d states near EF and with the buildup of surface charge so as to enhance the electron transfer between a surface cation and an interacting molecule." @default.
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- W2046724797 date "1983-07-01" @default.
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- W2046724797 title "Electronic structures of the LaBO3 (B = Co, Fe, Al) perovskite oxides related to their catalysis" @default.
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- W2046724797 doi "https://doi.org/10.1016/0039-6028(83)90259-5" @default.
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