染料敏化太阳电池电极的多相自组装、量子修饰和界面态电子调控的理论研究

Dye-sensitized solar cell is an advanced solar cell that works similar to photosynthesis and produces energy from light that shines on dyes. The technology has attracted interest in recent years because manufacturing these solar cells is more environmentally friendly and less costly than manufacturing conventional silicon solar cells. However, the low performance of the state-of-the-art photoanodes can not meet the requirement of the photoelectric transformation efficiency of the Dye-sensitized solar cell (DSSC). And the improvement of the DSSC performance is also seriously impeded by the low transmission efficiency in the electrode. Proposals of this research are improving the photoelectric transformation efficiency by multi-phase self-assembly Quantum-dot-in-situ-sensitized photoanodes and monolayer Pt-nanoparticle-sensitized carbon counter electrode. The transformation efficiency of the electrode also is proposed to be improved by highly ordered porous nanostructures. The research will also pay attention to understand the structure-activity relationships between on the transformation efficiency and the multi-phase ordered nanostructure of the electrodes.In addition, the density functional theory (DFT) calculations will provide detailed information on how the modifed electrode to regulate the band gap as well as the dynamic and kinetic of related reactions on it to guide the design of optimal electrode. Based on these approaches, we will design and synthesize the Dye-sensitized solar cell with high performance and high stability.

染料敏化太阳电池是模仿光合作用原理, 将太阳能可控地转换为电力的先进能源转换装置，也是当前国际能源领域和半导体技术领域的研究热点。针对染料敏化太阳电池能量转化效率低、反应动力学速度慢的重要科学问题，本项目拟采用理论结合实验的方法开发禁带宽度位于可见光波段的半导体量子点均匀敏化的多孔有序TiO2阳极，以提高电池阳极的光电转换能力；开发单层纳米Pt颗粒涂覆的高比表面有序多孔碳对电极，以提高电池化学反应的动力学速度；开发电极的有序纳米结构，以提高电池的传质能力，从而为下一代高性能染料敏化太阳电池的开发理论依据和技术支撑。

本项目的主要研究内容为：1)自组装制备高活性的三维等级孔TiO2光阳极，期以其高的比表面积和规则孔道结构促使染料的加速吸附，提高染料敏化太阳能电池的效率；2)成功制备并优选了CdS量子点掺杂的介孔有序TiO2纳米阳极材料和有序TiO2纳米管阳极材料，开展了电极测试和电池组装工作；3)具有等级孔结构的过渡金属Fe-N-C作为高效染料敏化太阳能电池对电极的构筑及其结构与性能之间的构效关系；4)制备了Pt量子点修饰的石墨烯对电极材料和Pt量子点修饰的介孔炭对电极材料，开展了电极测试和电池组装工作。通过以上的一些新奇的光阳极的构筑与材料微观结构和性能之间的优化，我们通过多种改性途径制备了具有多种孔结构和掺杂的TiO2纳米材料、等级孔结构的Fe-N-C材料、Pt量子点修饰的石墨烯/介孔碳材料，组装了染料敏化太阳能电池器件，其转换效率大幅提升。本项目中的这些工作不仅可以较好地应用于染料敏化太阳能电池，也为其他领域新型材料的研发提供了思路和参考依据。同时也是对我国染料敏化太阳能电池的商业化领域的一种基础补充，为我国先进基础能源建设添砖加瓦。