Temperature Raman study of Li4Ti5O12 and ambiguity in the number of its bands

IF 2.4 3区 化学 Q2 SPECTROSCOPY Journal of Raman Spectroscopy Pub Date : 2023-12-19 DOI:10.1002/jrs.6641
Aleksey A. Nikiforov, Alexander S. Krylov, Svetlana N. Krylova, Vadim S. Gorshkov, Dmitry V. Pelegov
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Abstract

The two primary physical methods for identifying lithium titanate, a negative electrode material used commercially, are X-Ray diffraction and Raman spectroscopy. Although there are many publications on this topic, they are focused mainly on chemistry, so there are still some points that require clarification from a physical and methodological point of view. Difference of experimentally observed and theoretically predicted Raman spectra was explained through a combination of experiments and computations. The work comprises experiments and computations to explain why there are different numbers of predicted and observed Raman-active bands. Our low-temperature study and the analysis of thermal shifts during heating led us to conclude that the approach with surplus bands is advantageous and we recommend using major F2g band shifts to estimate the sample heating.

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Li4Ti5O12 的温度拉曼研究及其带数的模糊性
X 射线衍射和拉曼光谱是鉴别钛酸锂(一种商用负极材料)的两种主要物理方法。虽然有关这一主题的出版物很多,但主要集中在化学方面,因此从物理和方法学的角度来看,仍有一些问题需要澄清。实验观察到的拉曼光谱与理论预测的拉曼光谱之间的差异是通过实验和计算相结合来解释的。这项工作包括实验和计算,以解释为什么预测和观测到的拉曼活性带数量不同。我们的低温研究和对加热过程中热位移的分析使我们得出结论:使用剩余带的方法是有优势的,我们建议使用主要的 F2g 带位移来估计样品的加热情况。
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来源期刊
CiteScore
5.40
自引率
8.00%
发文量
185
审稿时长
3.0 months
期刊介绍: The Journal of Raman Spectroscopy is an international journal dedicated to the publication of original research at the cutting edge of all areas of science and technology related to Raman spectroscopy. The journal seeks to be the central forum for documenting the evolution of the broadly-defined field of Raman spectroscopy that includes an increasing number of rapidly developing techniques and an ever-widening array of interdisciplinary applications. Such topics include time-resolved, coherent and non-linear Raman spectroscopies, nanostructure-based surface-enhanced and tip-enhanced Raman spectroscopies of molecules, resonance Raman to investigate the structure-function relationships and dynamics of biological molecules, linear and nonlinear Raman imaging and microscopy, biomedical applications of Raman, theoretical formalism and advances in quantum computational methodology of all forms of Raman scattering, Raman spectroscopy in archaeology and art, advances in remote Raman sensing and industrial applications, and Raman optical activity of all classes of chiral molecules.
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