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Title

Polyanionic identity of Ca2Zn2(V3O10)(VO4) photocatalyst manifested by X-ray powder diffraction and periodic boundary density functional theory calculations

AuthorsBabaryk, Artem A.; Odynets, Ievgen V.; Khainakov, Sergei CSIC ORCID; García-Granda, Santiago CSIC ORCID CVN; Slobodyanik, Nikolay S.
Issue Date2015
PublisherRoyal Society of Chemistry (UK)
CitationCrystEngComm 17(40): 7772-7777 (2015)
AbstractThe structure of photocatalytic and photoluminescent binary vanadate of the general formula “CaZnV2O7” has been investigated using X-ray powder diffraction. The compound is built up of isolated [V3O10], and [VO4] being this complex trivanadate–vanadate, in opposition to previous suggestions on isostructurality “CaMV2O7”, M – Mg or Co (Murashova et al., 1991, 36, 617–621). The present model has been confirmed by theoretical calculations. Thermal analysis and scanning electron microscopy have been performed, and the electronic structure analysis has been found to be in agreement with the experimental observations.
URIhttp://hdl.handle.net/10261/137463
DOIhttp://dx.doi.org/10.1039/C5CE01212K
Identifiersdoi: 10.1039/C5CE01212K
e-issn: 1466-8033
Appears in Collections:(CINN) Artículos
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