物理化学学报 >> 2017, Vol. 33 >> Issue (2): 364-369.doi: 10.3866/PKU.WHXB201611082

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EXELFS对二氧化铀晶格结构的分析

蒋奥克1,赵雅文2,龙重2,张雷2,胡殷1,曾荣光2,张延志1,肖红2,朱康伟1,*(),刘柯钊2,*()   

  1. 1 表面物理与化学重点实验室,四川绵阳621900
    2 中国工程物理研究院,四川绵阳621900
  • 收稿日期:2016-09-05 发布日期:2017-01-12
  • 通讯作者: 朱康伟,刘柯钊 E-mail:zhukw07@qq.com;liukz@hotmail.com
  • 基金资助:
    国家自然科学基金(11404295,11404296,11305148)

EXELFS Analysis of Lattice Structure of Uranium Dioxide

Ao-Ke JIANG1,Ya-Wen ZHAO2,Zhong LONG2,Lei ZHANG2,Yin HU1,Rong-Guang ZENG2,Yan-Zhi ZHANG1,Hong XIAO2,Kang-Wei ZHU1,*(),Ke-Zhao LIU2,*()   

  1. 1 Science and Technology on Surface Physics and Chemistry Laboratory, Mianyang 621900, Sichuan Province, P. R. China
    2 China Academy of Engineering Physics, Mianyang 621900, Sichuan Province, P. R. China
  • Received:2016-09-05 Published:2017-01-12
  • Contact: Kang-Wei ZHU,Ke-Zhao LIU E-mail:zhukw07@qq.com;liukz@hotmail.com
  • Supported by:
    the National Natural Science Foundation of China(11404295,11404296,11305148)

摘要:

本文展示了广延能量损失精细结构(EXELFS)分析用于UO2的微区研究。首先,利用IFEFFIT软件从UO2中氧元素的电子能量损失谱(EELS)提取EXELFS,并进行傅里叶转换得到实空间实验谱,再将实空间实验谱进行傅里叶逆变换得到倒空间实验谱。接下来,将得到的两张实验谱用IFEFFIT软件进行拟合,最终得到UO2中氧原子周围的局域结构信息。与X射线衍射(XRD)实验数据进行比对后得知,EXELFS分析得到的UO2晶格常数较其略小1.4%。结果表明运用EXELFS分析可以实现UO2中晶格结构的精细分析。

关键词: 锕系元素, 铀氧化物, 电子能量损失谱, 广延能量损失精细结构, 径向结构函数

Abstract:

The present work demonstrates that extended energy loss fine structure (EXELFS) analysis can be used to investigate the microstructure of Uranium dioxide. First, EXELFS was extracted by IFEFFIT package from oxygen-K edge in electron energy-loss spectrometry (EELS) spectrum of UO2. Next, the EXELFS was Fourier transformed to obtain the experimental real-space spectrum, which was then back-Fourier transformed to obtain the experimental reciprocal-space spectrum. In the next step, the two experimental spectra were fitted with the IFEFFIT package to obtain information about the local structure of the oxygen atoms. Finally, the lattice constant of UO2 determined by EXELFS analysis was found to be merely 1.4% lower than that experimentally obtained by X-ray diffraction (XRD). This result confirms that EXELFS analysis is a feasible method of investigating UO2 microstructural information.

Key words: Actinide element, Uranium oxide, Electron energy-loss spectrometry, Extended energy loss fine structure, Radial structural function

MSC2000: 

  • O641