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.
出处
《无机化学学报》
SCIE
CAS
CSCD
北大核心
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
