Correlation of the 755–778 cm−1Raman mode with oxygen vacanciesin tin oxide nanostructures
Correlation of the 755–778 cm−1Raman mode with oxygen vacanciesin tin oxide nanostructures
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DOI：
10.1016/j.apsusc.2015.04.085
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发表时间：
2015-08
期刊：
影响因子：
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通讯作者：
T. H. Li;L. Liu;J. Shen;X. Wu
中科院分区：
文献类型：
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作者：
T. H. Li;L. Liu;J. Shen;X. Wu
在氧化锡纳米结构中，氧空位（OV）通常决定光学性质，因此OV浓度和类型的准确识别对于探索更多应用至关重要。目前，755-778 cm-1拉曼模式经常被观察到，并被任意地归因于Eu（LO）或B2 g模式。在这项工作中，我们研究了拉曼光谱的激光烧蚀法制备的SnO 2纳米晶体，发现拉曼峰蓝移从755到778 cm-1的氧气中退火温度的增加。光谱分析和密度泛函计算表明，桥连OV对晶体对称性的破坏使B2 g模（778 cm−1）逐渐红移，最终占据Eu（LO）模位置（755 cm−1）.因此，不应将其分配给Eu（LO）模式。
In tin oxide nanostructures, oxygen vacancies (OVs) usually determine optical properties and thus exact identification of both OV concentration and type is crucial to exploration of more applications. Currently, the 755–778 cm−1Raman mode is frequently observed and arbitrarily attributed to Eu(LO) or B2gmode. In this work, we examine the Raman spectra of SnO2nanocrystals prepared by laser ablation method and find that the Raman peak blueshifts from 755 to 778 cm−1with increasing annealing temperature in O2. Spectral analysis and density functional calculations disclose that crystal symmetry destruction by bridging OVs makes B2gmode (778 cm−1) redshift gradually and finally occupy Eu(LO) mode position (755 cm−1). Thus, it should not be assigned to Eu(LO) mode.