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Na2TiO3晶型及其相变的高温原位拉曼光谱与X射线衍射联合研究

In-situ Studies on Na2TiO3 and Its Phase Transformation by High Temperature Raman Spectroscopy and High Temperature XRD Method

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摘要

本文设计了α、β和γ三种晶型的Na2TiO3晶体的制备方法,采用固相烧结技术成功制备了该晶体的上述三种晶型,并对其常温拉曼光谱进行了比较研究。对其中已知晶型结构的γ-Na2TiO3的拉曼光谱进行密度泛函理论的模拟计算,基于计算对其拉曼光谱高频区主要振动模式进行归属。运用高温原位拉曼光谱技术和X射线衍射技术对无序型亚稳态α-Na2TiO3晶体升温过程的相变及其结构变化进行了原位追踪与研究,为不同晶型的Na2TiO3晶体的温致结构演变及晶型的鉴定提供重要的实验依据。

Abstract

In this paper,the synthesis conditions of α,β and γ phases of Na2TiO3 crystal were designed.Three crystal of different phases of Na2TiO3 were prepared successfully by solid-state reactions.Room temperature Raman spectra and X-ray diffraction (XRD) patterns of these crystalline samples were then recorded.The assignment of the major Raman-active vibrational modes of γ-Na2TiO3 in high-frequency region was made on the basis of density functional theory (DFT) calculation.In-situ high temperature both Raman spectroscopy and XRD method have been adopted to investigate temperature dependent phase transition and micro-structural evolution of the disordered metastable crystalline α-Na2TiO3.This work can offer experimental basis for the structural evolution and crystal phase identification of various crystals of Na2TiO3.

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中图分类号:O792

DOI:10.13883/j.issn1004-5929.201802006

所属栏目:材料研究中的应用

基金项目:国家自然科学基金重点项目(50932005);国家自然科学基金(20973107,40973046)和上海市科学技术委员会科技基金(12520709200);省部共建高品质特殊钢冶金与制备国家重点实验室开放课题(SKLASS2015-01)基金资助

收稿日期:2017-09-30

修改稿日期:2017-10-14

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徐磊:省部共建高品质特殊钢冶金与制备国家重点实验室、上海市钢铁冶金新技术开发应用重点实验室和上海大学材料科学与工程学院,上海 200072
尤静林:省部共建高品质特殊钢冶金与制备国家重点实验室、上海市钢铁冶金新技术开发应用重点实验室和上海大学材料科学与工程学院,上海 200072
王建:省部共建高品质特殊钢冶金与制备国家重点实验室、上海市钢铁冶金新技术开发应用重点实验室和上海大学材料科学与工程学院,上海 200072
王敏:省部共建高品质特殊钢冶金与制备国家重点实验室、上海市钢铁冶金新技术开发应用重点实验室和上海大学材料科学与工程学院,上海 200072
周灿栋:宝山钢铁股份有限公司,上海 201900

联系人作者:徐磊(15021804174@163.com)

备注:徐磊 (1991-),女,硕士,主要从事钛酸盐晶体及其熔体的拉曼光谱研究。

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引用该论文

XU Lei,YOU Jinglin,WANG Jian,WANG Min,ZHOU Candong. In-situ Studies on Na2TiO3 and Its Phase Transformation by High Temperature Raman Spectroscopy and High Temperature XRD Method[J]. The Journal of Light Scattering, 2018, 30(2): 126-132

徐磊,尤静林,王建,王敏,周灿栋. Na2TiO3晶型及其相变的高温原位拉曼光谱与X射线衍射联合研究[J]. 光散射学报, 2018, 30(2): 126-132

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