双层V2O5具有250 mAh/g的高理论比容量，是一种理想的储能型钠离子正极材料。但因Na+半径较大，在V2O5层间的扩散阻力大，循环过程中V2O5层状结构容易坍塌进而导致材料失去活性，这是目前制约双层V2O5实际应用发展的关键问题。针对以上问题，本项目采用插层结构调控改善双层V2O5储钠性能：(1)调控插层水分子优化Na+的扩散通道；(2)在层间预嵌高价金属离子提高其层状结构稳定性；(3)在层间插入导电高分子拓宽材料的层间距并提高其导电性；(4)构筑高价金属离子/导电高分子复合插层的V2O5，利用二者的协同效应进一步提升材料的储钠性能。结合第一性原理计算分析不同插层结构对材料储钠性能的影响规律和内在机理。项目研究对深入理解双层V2O5嵌/脱Na+反应机理，促进其性能提升和实际应用具有重要的理论和实际意义。同时对V2O5在Mg2+电池、Al3+电池、传感器等领域中的应用也具有积极借鉴意义。

Bilayered V2O5 has been recognized as promising cathode materials for energy storage sodium-ion batteries, as it offers the essential advantage of very high theoretical capacity (250 mAh/g). However, due to the relatively larger radius of Na+, the diffusion of Na+ in bilayered V2O5 is very slow and the layer structure is easy to collapse, resulting in the fast capacity fading. These issues seriously hamper the practical application of bilayered V2O5 in sodium ion batteries. The purpose of this subject is to improve the sodium storage performance of bilayered V2O5 by the strategy of interlayer structure design: (1) optimizing the diffusion path of Na+ in bilayered V2O5 by tuning the interlayer water content; (2) improving the stability of layer structure of V2O5 by pre-intercalation of multivalent metal cations; (3) Increasing the interlayer space and improving the conductivity of bilayered V2O5 by intercalating conductiing polymers within the interlayer space; (4) Further improve the sodium storage performance by constructing multivalent metal cation/conducting polymer multi-components intercalation layer with synergic activity. Combining first-principles calculations, the effect and mechanism of different interlayer structures on the sodium storage performance of bilayered V2O5 will be analyzed. The investigations of this project will promote not only the further understanding of the mechanism of electrochemical reaction of V2O5 in theoretical aspect, but also the performance improvement and wide application in practical aspect. Meanwhile, this project may also provide a positive reference for the applications of V2O5 in the other relative fields, such as Mg-ion batteries, Al-ion batteries, and sensors.