二维硫化钼及其碳布复合材料的制备及对铀的吸附性能和机理研究

有效地去除放射性污染废水中的放射性核素，对生态环境有着极其重要的意义。因此，本研究拟通过精细调控MoS2晶体结构，实现其对废水中U(VI)的选择性吸附，并探讨MoS2晶体结构与吸附性能之间的关系。首先，项目将采用反应动力学速度快、流程短和可控性强的高温电化学方法高效有序地组装不同晶体结构2H-MoS2、3R-MoS2及2H-MoS2/碳布材料、3R-MoS2/碳布材料，以克服传统制备方法加热时间长、材料晶格化程度弱和不利于量产等瓶颈问题；其次，通过批次实验法，探究U(VI)吸附的影响因素；最后，结合先进的谱学手段和密度泛函理论，并以分波态密度、吸附能、电荷转移和稳定构型等计算结果为依据，从原子分子水平研究U(VI)与吸附材料之间的作用机理。本研究将为放射性废水中U(VI)的有效去除提供一种新思路和新方法，并为高效吸附剂研究与开发提供理论和应用依据。

Effective removal of radionuclides from radioactive contaminated wastewater is of great significance to the ecological environment. Therefore, this project will prepare MoS2 with accurately controlled crystal structure to selectively adsorb U(VI) from wastewater, and the adsorption mechanism will be systematically investigated. Firstly, high-temperature electrochemical methods with fast reaction kinetics, short flow and strong controllability will be used to assemble 2H-MoS2, 3R-MoS2 and 2H-MoS2/carbon cloth materials and 3R-MoS2/carbon cloth materials efficiently and orderly. The bottlenecks of traditional preparation methods, such as long heating time, weak lattice degree of materials and unfavorable to large scale production, will be overcome. Secondly, batch experiments will be conducted to investigate the influence factor of U(VI) adsorption. Finally, the interaction mechanism between U(VI) and the adsorptive materials will be studied at the atomic and molecular level, based on the calculation results of wave density, adsorptive energy, charge transfer and stable configuration, combined with advanced spectroscopy and density functional theory. This project will provide a new idea and method for effective removal of U(VI) from radioactive wastewater, and provide a theoretical and application basis for the research and development of high-efficiency adsorbents.