Suppr超能文献

通过高能X射线和中子衍射研究碲酸锂及钒掺杂碲酸锂玻璃的结构

Structure of lithium tellurite and vanadium lithium tellurite glasses by high-energy X-ray and neutron diffraction.

作者信息

Khanna Atul, Fábián Margit, Dippel Ann Christin, Gotowski Olof

机构信息

Department of Physics, Guru Nanak Dev University, Amritsar, Punjab 143005, India.

Centre for Energy Research, Konkoly Thege st. 29-33, Budapest, 1121, Hungary.

出版信息

Acta Crystallogr B Struct Sci Cryst Eng Mater. 2021 Apr 1;77(Pt 2):275-286. doi: 10.1107/S2052520621002274. Epub 2021 Mar 24.

Abstract

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.

摘要

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。

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验