过渡金属化合物/非晶态NiB膜复合电极电容性能及界面协同机理研究

As a new type of green energy storage device, supercapacitors have become a very compelling research focus in the field of energy storage and conversion. The key to its performance lies in the electrode materials. Aiming at the key problems of traditional carbon nitrogen/transition metal compound composite electrode, such as low overall conductivity, unstable structure, this project utilizes highly active amorphous NiB film coating to improve interfacial bonding strength and overall conductivity, and builds several types of carbon-nitrogen/transition metal compound/NiB sandwich composites. The project will focus on the exposed crystal face, atomic bonding mode and electronic regulation mechanism between the transition metal compound/amorphous NiB film interface, revealing the charge transfer mechanism and its effects on capacitance properties; we will systematically explore the correlation among interface interaction, electronic structure and electrochemical performance by combining with experimental research and theoretical calculations. The development of this project will provide scientific insights for understanding the synergistic mechanism of heterogeneous interface to improve capacitive performance and the design of composite electrode materials with excellent performance.

超级电容器作为一种新型绿色储能装置，已成为能源储存与转化领域十分引人注目的研究热点，其性能发挥的关键在于电极材料。针对传统碳氮/过渡金属化合物复合电极整体电导率较低、结构不稳定等关键问题，本项目利用高活性非晶态NiB膜包覆改善界面结合强度和整体导电性，构筑几类碳氮/过渡金属化合物/NiB夹心复合材料。重点考察过渡金属化合物/非晶态NiB膜界面间晶面暴露、原子结合方式及电子调控机制，揭示电荷转移机理及对电容性能的影响规律；结合实验研究和理论计算，系统探索界面间相互作用、电子结构与电化学性能的相关性。该项目的开展将为深入理解异质界面改善电容性能协同机理和高性能复合电极材料的设计提供重要依据。

本项目旨在解决过渡金属化合物电导率较低、反应活性差、结构不稳定等关键问题，利用高活性非晶态硼化物包覆改善结构稳定性和整体导电性，构筑几类过渡金属化合物与硼化物的复合材料，获得了具有高电容量、优异倍率性及长循环寿命的超级电容器电极，成功组装了混合型超级电容器器件并完成实体检测。结合多项表征技术与理论计算，系统研究了复合材料结构、晶态/非晶态界面相互作用与电化学性能的相关性。结果表明非晶态硼化物在电化学反应过程中不仅可以提供更多的活性位点，而且能够有效调控过渡金属化合物的电子结构。研究中发现非晶态硼化物的修饰还可以改善过渡金属化合物的电催化活性，为进一步探索二者的相互作用提供了新的视角。该项目的开展将为深入理解异质界面改善电化学性能协同机理和高性能复合电极材料的设计提供重要依据。