结晶紫在亚微米棒状ZnO表面增强拉曼光谱的研究

摘要

通过湿化学法在70℃低温条件下,制备了亚微米棒状ZnO.利用紫外可见吸收光谱(UV-Vis),扫描电镜(SEM),X射线粉末衍射(XRD)以及拉曼光谱对棒状ZnO进行了表征.采用密度泛函(DFT/B3LYP)方法,以6-311G*为基组研究了结晶紫(CV)的理论平衡构型,同时以CV作为探针分子,检测了亚微米棒状ZnO的表面增强拉曼(SERS)活性.结果表明:亚微米棒状ZnO为六方纤锌矿结构,具有很高纯度和结晶度.CV在ZnO表面的拉曼增强因子可达1.2×102,其增强机理主要来源于化学增强.%Submicrometer rod-like ZnO was prepared by wet-chemical technique at 70 ℃. The material was characterized by UV-vis spectroscopy (UV-Vis), scanning electron microscopy (SEM), X-ray diffraction (XRD) and Raman spectroscopy. The optimized geometry of crystal violet (CV) was calculated at DFT/B3LYP level with 6-311G* basis set. Meanwhile, the surface-enhanced Raman scattering (SERS) activity of submicrometer rod-like ZnO was investigated using CV as a probe molecular. Results show that the rod-like submicrometer ZnO has high purity and crystallinity, which belongs to the Wurtzite-type structure. The enhancement factor of CV adsorbed on rod-like ZnO is up to 1.2×l02, which is attributed to chemical enhancement.