项目名称: 染料敏化TiO2光诱导电子转移短时动力学及其光催化机理的研究
项目编号: No.21271155
项目类型: 面上项目
立项/批准年度: 2013
项目学科: 数理科学和化学
项目作者: 王惠钢
作者单位: 浙江理工大学
项目金额: 78万元
中文摘要: 为解决有效光诱导电子-空穴分离过程,延迟电子复合为出发点,掌控电子转移动力学及调控规律为目的,本项目拟以二氧化钛纳米颗粒及纳米管、不同取代基染料、不同金属离子的染料配合物及以此为敏化剂敏化得到的二氧化钛功能材料为研究对象,通过共振拉曼光谱(包括时间分辨共振拉曼、时间分辨瞬态吸收、荧光光谱)及偏振技术和量子化学计算,获取它们的光谱信息及光谱指认,分析不同激发态间的电子-振动耦合信息及光诱导电子转移动力学过程并讨论离子及取代基对动力学通道的调控作用。通过共振拉曼强度分析技术获取它们的反应坐标及振动重组能信息,对照不同取代基及金属离子所引起的振动重组能的变化,总结光诱导电子转移动力学的取代基及离子调控规律。由此优化染料敏化电子转移效率,提高光催化性能。通过本项目研究希望为光化学的发展和光电子器件设计引入短时的动力学研究手段,探索其规律为器件设计指明方向,为电子转移理论的发展构筑基础物化数据。
中文关键词: 染料敏化;二氧化钛;P-N异质结结构;Ti3+ 自掺杂;电子空穴对
英文摘要: The motivations for this proposal is to creat long-lived charge separation states and find effective method to retard electron recombination in dye-sensitized TiO2 NP(nanoparticles) and NT(nanotubes). The aim is to explore the forward and backward electron transfer dynamics and the factors that manipulate the reaction channels. Holding this popurse, our investigations will carried out on the study of electron injection and back electron transfer dynamics of dyes sensitized on TiO2 NP(or NT) using Resonance Raman Spectroscopy (including time resolved Resonance Raman Spectroscopy, absorption and time-resolved fluorescence spectroscopy) 、polarized spectroscopy aided by density functional theory calculation . Based on the DFT calculations we obtain the notations and assignments of the absorption and vibrational spectra. Analysis the Resonance Raman spectra, abstract the vibronic coupling and the time resolved informations we gain the reaction coordinators、pathways and time scales for relaxation dynamics. Comparision of their relaxation dynamics among different substitute groups in dyes(including different substitute porphines, different Metalloporphyrin Complexes) to explore the regulating rule of the substitute and metal ions on the synergism/competiton electron transfer、vibrational reorganization energies and e
英文关键词: Dye sensitize;TiO2;p-n heterostructure;Ti3+ self-doped;electron hole pairs