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

被引：7

作者：

Babaryk, Artem A. ^{[1
,2
]}

Odynets, Ievgen V. ^{[1
]}

Khainakov, Sergei ^{[2
]}

Garcia-Granda, Santiago ^{[2
]}

Slobodyanik, Nikolay S. ^{[1
]}

机构：

[1] Taras Shevchenko Natl Univ Kyiv, Fac Chem, UA-01601 Kiev, Ukraine

[2] Univ Oviedo CINN, Fac Chem, Dept Phys & Analyt Chem, Oviedo 33006, Spain

来源：

CRYSTENGCOMM | 2015年 / 17卷 / 40期

关键词：

CRYSTAL-STRUCTURES; AXIAL DIVERGENCE; LIGHT; DIFFRACTOMETER; PYROVANADATE; MOLECULES; PROPERTY; TA; NB;

D O I：

10.1039/c5ce01212k

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The 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.

引用

页码：7772 / 7777

页数：6

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