银基含氧酸盐光催化剂的设计合成及其在光降解过程中的稳定性研究

项目名称： 银基含氧酸盐光催化剂的设计合成及其在光降解过程中的稳定性研究

项目编号： No.21471040

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 数理科学和化学

项目作者： 陈刚

作者单位： 哈尔滨工业大学

项目金额： 90万元

中文摘要： 本课题以IVA和VB族银基含氧酸盐光催化剂为研究对象，采用离子交换法、自蔓延燃烧法、熔盐法等手段,结合DFT理论计算设计合成新型的银基含氧酸盐光催化剂。采用XRD、SEM、TEM、SAED、EELS等测试方法研究催化剂的微观形貌、暴露晶面及相界面处的晶体结构和组成分布；通过检测中间体及建立吸附模型揭示不同有机污染物的降解机制和动力学过程；采用晶体结构优化及表面修饰等手段提高光催化剂的稳定性，利用后处理技术实现光催化剂活性再生；结合XPS价带谱、PL光谱、瞬态光谱、Rietveld结构解析和理论计算研究光生载流子的传输机制及其与光催化活性和稳定性之间的内在关系，最终建立银基含氧酸盐光催化降解有机污染物的结构-性能关系模型。为高活性、高稳定性光催化剂的设计合成及应用提供理论与实验支持。

中文关键词： 含氧酸盐；设计合成；光降解性能；光稳定性；DFT计算

英文摘要： Various synthetic techniques such as ion-exchange, self-propagating combustion and molten-salt are used to design and develop novel Ag-based oxysalt photocatalysts of group IVA and VB, combined with DFT theoretical calculation. XRD, SEM, TEM, SAED and EELS etc. are used to research on the morphology, crystal face exposed, crystal structure and composition in the phase interface. By detecting intermediates and establishing clear mechanisms of degradation and adsorption model to clarify the degradation mechanisms and kinetics of different organic pollutants. Methods like crystal structure optimization and surface modification are used to improve the stability of Ag-based oxysalt photocatalyst during the photocatalytic process. The photocatalytic activity of the photocatalyst is regenerated by processing techniques. Techniques such as valence band XPS, PL spectroscopy, transient spectroscopy, Rietveld refinement methods and theoretical calculations are used to clarify intrinsic relationship between the transport mechanism of photo-generated carriers and the photocatalytic activity, stability of the photocatalysts to establish the structure-property relationship models of Ag-based oxysalt photocatalysts eventually. The final aim of our work is to provide theoretical and experimental evidence for the design synthesis and application of new photocatalysts with high activity and stability.

英文关键词： Oxysalt;Targeted synthesis;Photocatalytic degradation performance;Photo-stability;DFT Calculation