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The short-range structure of TeO2 glass was studied by a combined solid-state NMR, Raman, and first-principles calculation approach. Glass samples enriched in oxygen-17 were prepared, and both 125Te and 17O… Click to show full abstract
The short-range structure of TeO2 glass was studied by a combined solid-state NMR, Raman, and first-principles calculation approach. Glass samples enriched in oxygen-17 were prepared, and both 125Te and 17O spectra were recorded. In addition, spectra of α-TeO2 and γ-TeO2 crystal phases were recorded to aid in spectral assignment. The identity of the crystal phases was confirmed by X-ray diffraction and Raman spectroscopy. First-principles computations on the TeO2 crystal phases as well as on several potassium tellurites were carried out for comparison. It was found that the structure of TeO2 glass is best described as a highly disordered form of the γ-TeO2 crystal.
Journal Title: Journal of Physical Chemistry C
Year Published: 2017
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