Abstract
The traditional way for determination of molecular groups structure in crystals is the X-Ray diffraction analysis and it is based on an estimation of the interatomic distances. Here, we report the analysis of structural units in Y2O2SO4 using density functional theory calculations of electronic properties, lattice dynamics and experimental vibrational spectroscopy. The Y2O2SO4 powder was successfully synthesized by decomposition of Y2(SO4)3 at high temperature. According to the electronic band structure calculations, yttrium oxysulfate is a dielectric material. The difference between the oxygen–sulfur and oxygen–yttrium bond nature in Y2O2OS4 was shown based on partial density of states calculations. Vibrational modes of sulfur ions and [Y2O22+] chains were obtained theoretically and corresponding spectral lines observed in experimental Infrared and Raman spectra.
Highlights
The rising in experimental and theoretical studies of rare-earth-activated phosphors over the past decades is primarily associated with their applications in lighting, electronic displays, temperature sensing, etc. [1]
Phosphorous depends on the size and shape of particles [17], for example, the Eu3+ doped nanosized Y2 O2 SO4 samples (18–89 nm, C2/c) show the quantum efficiencies ranging from η = 44–70% [18]
The 2–3 μm in diameter Y2 O2 SO4 :Eu3+ was synthesized using a urea-based homogeneous precipitation technique based on a urea-ammonium sulfate system [19]
Summary
The rising in experimental and theoretical studies of rare-earth-activated phosphors over the past decades is primarily associated with their applications in lighting, electronic displays, temperature sensing, etc. [1]. The rising in experimental and theoretical studies of rare-earth-activated phosphors over the past decades is primarily associated with their applications in lighting, electronic displays, temperature sensing, etc. A large variety of rare-earth doped inorganic compounds have been synthesized, such as molybdates [2,3,4], tungstates [5,6,7], phosphates [8,9,10], aluminates [11,12,13] and silicates [14,15,16]. The biomolecule-assisted hydrothermal route followed by calcination was used for the production of yttrium oxysulfate hollow spheres doped with Yb3+ and Eu3+ or Er3+ [21]
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