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Short-Range Structure of TeO2 Glass
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2017-12-08 00:00:00 , DOI: 10.1021/acs.jpcc.7b08978 Mounesha N. Garaga 1 , U. Werner-Zwanziger 1 , J. W. Zwanziger 1 , A. DeCeanne 2 , B. Hauke 2 , K. Bozer 2 , S. Feller 2
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2017-12-08 00:00:00 , DOI: 10.1021/acs.jpcc.7b08978 Mounesha N. Garaga 1 , U. Werner-Zwanziger 1 , J. W. Zwanziger 1 , A. DeCeanne 2 , B. Hauke 2 , K. Bozer 2 , S. Feller 2
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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 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.
中文翻译：
TeO 2玻璃的近程结构
通过结合固态NMR，拉曼光谱和第一性原理计算方法研究了TeO 2玻璃的短程结构。制备了富含氧气17的玻璃样品，并记录了125 Te和17 O光谱。此外，α-的TeO的光谱2和γ-的TeO 2结晶相，记录到在频谱分配助剂。通过X射线衍射和拉曼光谱法确认了晶相的身份。为了比较，对TeO 2晶体相以及几种碲酸钾进行了第一性原理计算。发现最好将TeO 2玻璃的结构描述为γ-TeO的高度无序形式2水晶。
更新日期：2017-12-08
中文翻译：
TeO 2玻璃的近程结构
通过结合固态NMR，拉曼光谱和第一性原理计算方法研究了TeO 2玻璃的短程结构。制备了富含氧气17的玻璃样品，并记录了125 Te和17 O光谱。此外，α-的TeO的光谱2和γ-的TeO 2结晶相，记录到在频谱分配助剂。通过X射线衍射和拉曼光谱法确认了晶相的身份。为了比较，对TeO 2晶体相以及几种碲酸钾进行了第一性原理计算。发现最好将TeO 2玻璃的结构描述为γ-TeO的高度无序形式2水晶。
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