Khanna Atul, Fábián Margit, Dippel Ann Christin, Gotowski Olof
Department of Physics, Guru Nanak Dev University, Amritsar, Punjab 143005, India.
Centre for Energy Research, Konkoly Thege st. 29-33, Budapest, 1121, Hungary.
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2021 Apr 1;77(Pt 2):275-286. doi: 10.1107/S2052520621002274. Epub 2021 Mar 24.
xLiO-(100 - x)TeO (x = 20 and 25 mol%) and xVO-(25 - x)LiO-75TeO (x = 1, 2, 3, 4 and 5 mol%) glasses were prepared by melt-quenching and their thermal and structural properties were characterized by differential scanning calorimetry, Raman spectroscopy, high-energy X-ray diffraction and neutron diffraction and reverse Monte Carlo (RMC) simulations. The glass transition temperature increases steadily with an increase in VO mol% in lithium tellurite glasses due to an increase in the average single bond energy of the glass network. The X-ray and neutron diffraction structure factors were modelled by RMC technique and the Te-O distributions show the first peak in the range 1.85-1.90 Å, with V-O = 1.75-1.95 Å, Li-O = 1.85-2.15 Å and O-O = 2.70-2.80 Å. The average Te-O coordination number decreases with an increase in LiO mol% in lithium tellurite glasses, and the V-O coordination decreases from 5.12 to 3.81 with an increase in VO concentration in vanadium lithium tellurite glasses. The O-Te-O, O-V-O, O-Li-O and O-O-O linkages have maxima in the ranges 86°-89°, 82°-87°, 80°-85° and at 59, respectively. The structural analysis of tellurite glasses reveal significant short-range and medium-range disorder due to the existence of a wide range of Te-O and Te-Te distances in the first coordination shell.
通过熔融淬火制备了xLiO-(100 - x)TeO(x = 20和25摩尔%)以及xVO-(25 - x)LiO-75TeO(x = 1、2、3、4和5摩尔%)玻璃,并通过差示扫描量热法、拉曼光谱、高能X射线衍射、中子衍射以及反向蒙特卡罗(RMC)模拟对其热性能和结构性能进行了表征。由于玻璃网络平均单键能的增加,碲酸锂玻璃的玻璃化转变温度随VO摩尔%的增加而稳步上升。利用RMC技术对X射线和中子衍射结构因子进行了建模,Te-O分布显示第一个峰值在1.85 - 1.90 Å范围内,V-O = 1.75 - 1.95 Å,Li-O = 1.85 - 2.15 Å,O-O = 2.70 - 2.80 Å。碲酸锂玻璃中平均Te-O配位数随LiO摩尔%的增加而降低,钒锂碲酸盐玻璃中V-O配位数随VO浓度的增加从5.12降至3.81。O-Te-O、O-V-O、O-Li-O和O-O-O键角分别在86° - 89°、82° - 87°、80° - 85°范围内以及59°时达到最大值。碲酸盐玻璃的结构分析表明,由于第一配位层中存在广泛的Te-O和Te-Te距离,存在明显的短程和中程无序。