Short-Range Structure of TeO2 Glass

被引：33
|
作者：
Garaga, Mounesha N. [1 ,2 ]
Werner-Zwanziger, U. [1 ,2 ]
Zwanziger, J. W. [1 ,2 ]
DeCeanne, A. [3 ]
Hauke, B. [3 ]
Bozer, K. [3 ]
Feller, S. [3 ]
机构：
[1] Dalhousie Univ, Dept Chem, POB 15000, Halifax, NS B3H 4R2, Canada
[2] Dalhousie Univ, Inst Res Mat, POB 15000, Halifax, NS B3H 4R2, Canada
[3] Coe Coll, Dept Phys, Cedar Rapids, IA 52402 USA
来源：
JOURNAL OF PHYSICAL CHEMISTRY C | 2017年 / 121卷 / 50期
基金：
美国国家科学基金会; 加拿大自然科学与工程研究理事会;
关键词：
NMR; RESOLUTION; TE-125;
D O I：
10.1021/acs.jpcc.7b08978
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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 Te-125 and O-17 spectra were recorded. In addition, spectra of alpha-TeO2 and gamma-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 gamma-TeO2 crystal.
引用
收藏
页码：28117 / 28124
页数：8
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