电化学2012，Vol.18Issue(6)：537-547,11.
木质素模型化合物在二氧化钛纳米管上光电氧化的动力学研究
Kinetic Study of Photoelectrochemical Oxidation of Lignin Model Compounds on TiO_2 Nanotubes
摘要
Abstract
In this study,TiO2 nanotubes were prepared via the electrochemical oxidation of titanium substrates in a non-aqueous electrolyte and their morphology and microstructures were examined by scanning electron microscopy(SEM) and X-ray diffraction(XRD).The photoelectrochemical oxidation of two lignin model compounds,1-(3,4-dimethoxyphenoxy)-2-(2-methoxyphenoxy)-1,3-propanediol(DMP) and 3-hydroxy-1-(3,4-dimethoxyphenoxy)-2-(2-methoxyphenoxy)-1,3-propanone(HDM),was investigated.A new band appeared at ~ 304 nm during the photoelectrochemical oxidation of DMP.The rate of DMP intermediate formation was amplified with the increase of initial concentrations,while it was diminished with increased temperature.Despite the similarity in structure between HDM and DMP,there are only small increases in absorbance during the oxidation of HDM,suggesting that HDM is less reactive.Quantum chemical calculations based on the density functional theor y(DFT) were performed in order to link photoelectrochemical reactivity with specific molecular properties.Relatively higher E LUMO-E HOMO of HDM makes it more stable and thus more refractory to oxidation,which is consistent with our photoelectrochemical results.关键词
光电氧化/二氧化钛纳米管/原位紫外可见光谱/木质素模型化合物/DFT计算Key words
photoelectrochemical oxidation/TiO2 nanotubes/UV-Vis spectroscopy/lignin model compounds/DFT calculation分类
化学化工引用本文复制引用
Daniel Liba..木质素模型化合物在二氧化钛纳米管上光电氧化的动力学研究[J].电化学,2012,18(6):537-547,11.基金项目
supported by a Strategic Grant from the Natural Sciences and Engineering Research Council of Canada（NSERC）A.Chen acknowledges NSERC （）
the Canada Foundation of Innovation（CFI）for the Canada Research Chair Award in Materials and Environmental Chemistry （）
