结晶紫在亚微米棒状ZnO表面增强拉曼光谱的研究  

SERS of Crystal Violet Adsorbed on Submicrometer Rod-Like ZnO

作　　者：孟卫[1,2] 张玲艳[1] 江晓红[1] 陆路德[1] 汪信[1] 

机构地区：[1]南京理工大学化工学院软化学与功能材料教育部重点实验室,南京210094 [2]中国药科大学理学院,南京211198

出　　处：《无机化学学报》2013年第3期571-576,共6页Chinese Journal of Inorganic Chemistry

基　　金：国家自然科学基金(No.50972059)资助项目

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 1.2×10^2, which is attributed to chemical enhancement.

关 键 词：表面增强拉曼 棒状氧化锌 结晶紫 密度泛函 

分 类 号：O649.2[理学—物理化学]