✦ LIBER ✦

Electronic structures and X-ray photoelectron spectra of MoO2 and Li2 MoO4

✍ Scribed by T.A. Sasaki; K. Kiuchi

Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 474 KB
Volume: 84
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(81)80363-6

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✦ Synopsis

Electronic structures of Moo2 (4d2) and molybdatc (4d") are calculated by the discrete-variational Xa method employing [hlo20101'F and [hl004]~-clusters. The calculations indicate that the hlo-0 bond is more covalent in the molybdatc than in hloO2. Lcvcl swucturcs for the valence band region arc in agreement with XPS spectra of MoOl and Liz hlo04.

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