单体
共聚物
电介质
分子间力
密度泛函理论
聚合
热稳定性
萘
俘获
化学物理
材料科学
化学
热的
带隙
电容器
分子
戒指(化学)
储能
光电子学
热能
分子动力学
泄漏(经济)
聚合物
计算化学
电子
分子轨道
载流子
高分子化学
能量密度
分子物理学
光化学
化学工程
作者
Jun-Chuan Wang,Tingting Zhou,Jiacan Su,Xiang‐Feng Wu,Zhao‐Ye Zhao,Peng Wei,Gang Yu,Hui Wang
标识
DOI:10.1021/acsapm.5c02927
摘要
Aromatic poly(ether imide) (PEI) film capacitors are promising for high-temperature applications due to their thermal stability and flexibility. This study first designed and synthesized three PEIs based on different diamine monomer structures, then introduced 1,4,5,8-naphthalenetetracarboxylic dianhydride (NTCDA) during their polymerization to construct copolymer systems. Experiments and density functional theory (DFT) analysis show that NTCDA, with a lower lowest unoccupied molecular orbital (LUMO) energy level, can form moderately deep electron traps in the PEIs bandgap. These traps effectively capture free carriers at high temperatures, suppressing their migration and hopping conduction, thereby reducing leakage current and dielectric loss. Meanwhile, the rigid naphthalene ring structure of NTCDA enhances intermolecular interactions, inhibiting segmental motion at high temperatures and reducing energy dissipation. Performance tests indicate that the three copolymers exhibit energy densities (Ue) of 3.7 J/cm3, 3.22 J/cm3, and 3.56 J/cm3 at 150 °C, with corresponding charge–discharge efficiencies (η) of 87%, 75%, and 79%. These results confirm that regulating the energy bands and trap distribution of PEIs with different structures via NTCDA is an effective strategy to enhance high-temperature energy storage performance, providing references for related material design.
科研通智能强力驱动
Strongly Powered by AbleSci AI