Dataset Information

Commensurate Nb₂Zr₅O₁₅: Accessible Within the Field Nb₂Zr _x O_2x+5 After All.

ABSTRACT: Doped niobium zirconium oxides are applied in field-effect transistors and as special-purpose coatings. Whereas their material properties are sufficiently known, their crystal structures remain widely uncharacterized. Herein, we report on the comparably mild sol-gel synthesis of Nb₂Zr₅O₁₅ and the elucidation of its commensurately modulated structure via neutron diffraction. We describe the structure using the most appropriate superspace as well as the convenient supercell approach. It is part of an ?-PbO₂-homeotypic field with the formula Nb₂Zr _x O_2x+5, which has previously been reported only for x?5.1, and is closely related to the structure of Hf₃Ta₂O₁₁. The results, supported by X-ray diffraction and additional synthesis experiments, are contextualized within the existing literature. Via the sol-gel route, metastable Nb-Zr-O compounds and their heavier congeners are accessible that shed light on possible structures of these commercially utilized materials.

SUBMITTER: Wiedemann D

PROVIDER: S-EPMC6448594 | biostudies-literature | 2019 Apr

REPOSITORIES: biostudies-literature

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Commensurate Nb2Zr5O15: Accessible Within the Field Nb2Zr x O2x+5 After All.

Wiedemann Dennis D Orthmann Steven S Mühlbauer Martin J MJ Lerch Martin M

ChemistryOpen 20190404 4

Doped niobium zirconium oxides are applied in field-effect transistors and as special-purpose coatings. Whereas their material properties are sufficiently known, their crystal structures remain widely uncharacterized. Herein, we report on the comparably mild sol-gel synthesis of Nb2Zr5O15 and the elucidation of its commensurately modulated structure via neutron diffraction. We describe the structure using the most appropriate superspace as well as the convenient ...[more]

PMID: 30989014

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Project description:Unique optical properties render semiconductor Nb2O5 nanoparticles suitable for light harvesting and photocatalytic applications. This study focuses on determining optical properties such as the band gap, conduction band edge, valence band edge and work function of as-prepared solution combustion synthesized Nb2O5 nanoparticles with the help of UV-vis Diffuse Reflectance spectroscopy (DRS) and ultraviolet photoelectron spectroscopy (UPS) techniques. Phase purity and the oxidation states of the elements present in the material were confirmed from X-ray diffraction (XRD) patterns and X-ray photoelectron spectra (XPS), respectively. Doping semiconductors with different metal ions impacts the activity of the material, and therefore efforts were made to understand the effect on the photocatalytic performance of Nb2O5 due to the incorporation of metal dopants viz. Sr, Y, Zr, and Ag. Lattice parameters were obtained from Rietveld refinement of the XRD patterns. Parameters which are closely related to the photoactivity of the catalysts such as the presence of surface defects, oxygen vacancies, surface area, and charge carrier dynamics were determined from photoluminescence (PL) analysis, Brunauer-Emmett-Teller (BET) surface area measurements and time-resolved fluorescence (TRF) analysis respectively. In addition, the dopant concentrations were optimised for enhanced photocatalytic activity. The doped Nb2O5 nanoparticles showed significant activity towards targeted degradation of organic pollutants like 2-chlorophenol (2-CP) and dye contaminants like methylene blue (MB), orange G (OG) and indigo carmine (IC). This strategy yielded a robust response towards inactivation of E. coli and S. aureus as well. Adsorption and photodegradation of MB followed Lagergren's pseudo 1st order reaction model and the Langmuir Hinshelwood model respectively. Bacterial inactivation and OG, IC and 2-CP photodegradation followed 1st order kinetics. The reusability of the catalyst for 5 cycles was demonstrated. Finally, a plausible mechanism is proposed based on radical trapping experiments and combined analysis of the characterization techniques.

Dataset Information

Commensurate Nb₂Zr₅O₁₅: Accessible Within the Field Nb₂Zr _x O_2x+5 After All.

Publications

Commensurate Nb<sub>2</sub>Zr<sub>5</sub>O<sub>15</sub>: Accessible Within the Field Nb<sub>2</sub>Zr <sub><i>x</i></sub> O<sub>2<i>x</i>+5</sub> After All.

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