摘要
具有特异性对称结构的天然自发极化矿物—电气石被广泛应用于环保和医疗保健领域,厘清电气石成分-结构-性能之间的作用关系可为电气石行业提供性能最优的理想构型,为其他天然复杂矿物的构效分析和性能调控提供方法参考。通过对含铁电气石样品进行全成分、端元占位、晶体微结构和自发极化性能分析,揭示了铁镁电气石成分-微结构-自发极化性能的影响控制过程:在铁含量高于镁含量的电气石中,晶胞体积随镁含量升高而升高,Fe^(2+)含量越高且Z位含铁时,电气石多面体扭曲增强,固有电偶极矩增大;在铁含量低于镁含量的电气石中,晶胞体积随铁含量升高而增大,结构扭曲和固有电偶极矩随铁含量的升高而减弱,随Fe^(2+)含量增大而增大;自发极化性测试证明电气石的性能强弱与固有电偶极矩变化规律一致;整理过往文献数据,分析Y位阳离子主导下的电气石固有电偶极矩变化趋势,揭示以Fe元素为主要影响因素的构效关系:当Mg/Fe摩尔比小于1时,电气石性能随Fe含量的减小而减弱;当Mg/Fe摩尔比大于1时,电气石的性能随Fe含量减小而增强;而当Mg/Fe摩尔比大于2时,其自发极化性上升趋势则趋于平稳。
Introduction Tourmaline is a kind of borosilicate mineral with complex structure and composition,which is used in the fields of functional materials,environmental protection and healthcare.Since the positive and negative charge centers of tourmaline do not coincide,tourmaline has a natural spontaneous polarization that is one of the most important properties,having its application in various fields.In previous studies,the changes of element occupancy,valence proportion of key elements and crystal structure parameters in tourmaline cause the lattice distortion,resulting in a change of spontaneous polarization intensity.It is thus of great significance to reveal the relationship among the composition,structure and property of tourmaline.In this paper,the control path along iron speciation-microstructure-spontaneous polarization of Fe-Mg tourmaline was investigated to clarify the structure-activity relationship dominated by cation occupancy in Y-site of tourmaline and propose the optimal configuration of tourmaline with the excellent performance.Methods Six single crystals of tourmaline samples with different Fe contents were collected from different locations in China(i.e.,Hebei province,Xinjiang province,Yunnan province and Guangxi province),respectively.After digestion,the chemical compositions of the samples were determined by ICP. The natural tourmaline was crushed by a model RH-800 high-speed multifunctionalpulverizer (Zhejiang Ronghao Industry and Trade, China), and ground by a model XPM-Φ100×4 planetary muller (WuhanProspecting Machinery Factory, China). The composition of tourmaline was determined by a model 7700x inductively coupledplasma optical emission spectrometry (ICP-OES, Agilent Co., USA). The crystallographic structure of tourmaline was examined by amodel X’Pert PRO X-ray diffractometer (XRD, PANalytical B.V., the Netherlands) with Cu Kα radiation over a 2θ range between 3°and 80°. The occupancy of Fe^(2+) and Fe3+ at Y and Z sites of tourmaline was characterized by a model MVT-1000Mossbaue
作者
周琳
张伟
周磊
郭铭
董发勤
Kotova Elena Leonidovna
Kotov Leonid Nafanailovichd
ZHOU Lin;ZHANG Wei;ZHOU Lei;GUO Ming;DONG Faqin;KOTOVA Elena Leonidovna;KOTOV Leonid Nafanailovichd(Key Laboratory of Waste Solid Treatment and Resource Recycle of Ministry of Education,Mianyang 621010,Sichuan,China;Analysis and Testing Center,Southwest University of Science and Technology,Mianyang 621010,Sichuan,China;Fundamental Science on Nuclear Wastes and Environmental Safety Laboratory,Southwest University of Science and Technology,Mianyang 621010,Sichuan,China;School of Environment and Resources,Southwest University of Science and Technology,Mianyang 621010,Sichuan,China;Mining Museum,St.Petersburg Mining University,St Petersburg 199106,Russia;Department of Radiophysics and Electronics,Syktyvkar State University,Syktyvkar 167001,Russia)
出处
《硅酸盐学报》
EI
CAS
CSCD
北大核心
2024年第10期3192-3204,共13页
Journal of The Chinese Ceramic Society
基金
国家自然科学基金项目(51974261)。
关键词
铁镁电气石
Y位阳离子
自发极化性
构效关系
iron-magnesium tourmaline
positive ion in Y site
spontaneous polarization
structure-function relationship
