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Valence States in CeVO4 and Ce0.5Bi0.5VO4 Probed by Density Functional Theory Calculations and X-ray Photoemission Spectroscopy

Abstract:

Ce is one of the few lanthanide elements to exhibit well-defined (III) and (IV) oxidation states in solid-state environments, and there is therefore ambiguity as to whether CeVO4 should be formulated as Ce(III)V(V)O4 or Ce(IV)V(IV)O4. To address this question, CeVO4 and Ce0.5Bi0.5VO4 have been studied by density functional theory calculations and X-ray photoemission spectroscopy. A peak above the main O 2p valence band in photoemission is attributed to localized Ce 4f states, in agreement wit...

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Publication status:
Published

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Publisher copy:
10.1021/jp508044d

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Publisher:
American Chemical Society
Journal:
JOURNAL OF PHYSICAL CHEMISTRY C
Volume:
118
Issue:
44
Pages:
25330-25339
Publication date:
2014-11-06
DOI:
EISSN:
1932-7455
ISSN:
1932-7447
Source identifiers:
491338
Language:
English
Pubs id:
pubs:491338
UUID:
uuid:5cd2e862-bfe7-48ca-8969-91c12a729f63
Local pid:
pubs:491338
Deposit date:
2014-12-10

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