Raman spectra of titanium dioxide (anatase, rutile) with identified oxygen isotopes (16,17,18)
Raman spectra of titanium dioxide (anatase, rutile) with identified oxygen isotopes (16,17,18)
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DOI：
10.1039/c2cp42763j
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发表时间：
2012-01-01
影响因子：
3.3
通讯作者：
Kavan, Ladislav
中科院分区：
文献类型：
--
作者：
Frank, Otakar;Zukalova, Marketa;Kavan, Ladislav
合成了六种具有代表性的同位素标记二氧化钛样品：(TiO2)-O-16、(TiO2)-O-17 和 (TiO2)-O-18，每种均为锐钛矿和金红石形式。在低至 5 K 的温度下分析了它们的拉曼散射。使用 DFT 计算的数值模拟支持光谱分配。实验和理论拉曼频率与相应的同位素位移的结合使我们能够解决有关金红石中二阶拉曼散射的各种仍然悬而未决的问题，以及锐钛矿光谱中重叠特征的分析。
Six representative isotope-labeled samples of titanium dioxide were synthesized: (TiO2)-O-16, (TiO2)-O-17 and (TiO2)-O-18, each in anatase and rutile forms. Their Raman scattering was analyzed at temperatures down to 5 K. Spectral assignment was supported by numerical simulation using DFT calculations. The combination of experimental and theoretical Raman frequencies with the corresponding isotopic shifts allowed us to address various still-open questions about the second-order Raman scattering in rutile, and the analysis of overlapping features in the anatase spectrum.