不同电荷载体离子对有机物电极电化学性能的影响  

Effects of different charge carrier ions on the electrochemical properties of organic electrodes

作　　者：邱璇 曹永杰 郭昭薇 王新柱 倪志刚 马晶[2] 董晓丽[1] 王永刚[1] Xuan Qiu;Yongjie Cao;Zhaowei Guo;Xinzhu Wang;Zhigang Ni;Jing Ma;Xiaoli Dong;Yonggang Wang(Department of Chemistry,Fudan University,Shanghai 200433,China;College of Chemistry and Chemical Engineering,Nanjing University,Nanjing 210023,China;College of Material and Chemistry&Chemical Engineering,Hangzhou Normal University,Hangzhou 311121,China)

机构地区：[1]复旦大学化学系,上海200433 [2]南京大学化学化工学院,南京210023 [3]杭州师范大学材料与化学化工学院,杭州311121

出　　处：《科学通报》2025年第9期1284-1293,共10页Chinese Science Bulletin

基　　金：国家重点研发计划(2022YFA1203002)资助。

摘　　要：近年来,具有电化学活性的有机化合物因具有成本低廉、结构可设计和环保等优点而受到广泛关注.不同于基于离子嵌入-脱嵌的传统无机化合物电极材料,有机电极材料以其独特的电荷存储机制而脱颖而出.在有机化合物中,电荷的存储主要发生在共轭骨架或含有孤对电子的杂原子上,通过这些官能团的氧化还原反应实现,因此展现出对多种电荷载体离子的电化学活性.这些电荷载体离子包括但不限于单价金属离子(如Li^(+)、Na^(+)、K^(+))、多价金属离子(如Zn^(2+)、Ca^(2+)、Mg^(2+)、Al^(3+))以及非金属离子(如H^(+)或H_(3)O^(+)).然而,迄今为止,尚缺乏系统性的研究来深入剖析有机电极材料在储存不同电荷载体时展现的电化学性能差异.在本研究中,我们以醌类化合物芘-4,5,9,10-四酮(PTO)作为研究对象,全面探究了电荷载体对有机材料电化学性能的影响,系统地分析了PTO电极在储存Li^(+)、Na^(+)、Zn^(2+)、H_(3)O^(+)等不同离子时的氧化还原电位、可逆比容量以及电化学稳定性等关键电性能.这一工作为有机物电极材料的深入研究和应用开发提供了新的视角和理论基础.The rapidly increasing demand of renewable energy has stimulated the great development of rechargeable batteries for energy storage systems.Until now,the most widely used battery system is lithium-ion batteries.However,there are still many problems in their practical applications.On the one hand,from the perspective of sustainable development,the limited metal resources will inevitably lead to higher cost of lithium-ion batteries in the future.Therefore,new types of batteries such as sodium ion batteries,zinc ion batteries and proton batteries have emerged in recent years.On the other hand,the traditional cathode materials are mainly inorganic compounds,and the cations can reversibly insert into and extract from the lattice of electrode materials.However,these electrode materials are not suitable for the electrochemical behavior dominated by multivalent metal ions or monovalent cations with large radius,such us the Zn-ion batteries which have mentioned above,because these inorganic materials are generally prone to structural collapse due to the repeated insertion/extraction of cations during the long cycle period,which will shorten the cycle life of the battery.In addition,most of these inorganic cathode materials often contain precious metal elements with toxicity,such as cobalt or nickel,which are harmful to environment,and especially require careful overcharge protection to avoid thermal runaway.Recently,organic electrode materials have attracted extensive attention due to their inherent advantages,such us low cost,environmental friendliness,non-toxicity,adjustable and flexible structure.Generally,the redox chemistry in organic electrode materials is only accompanied with the rearrangement of chemical bonds instead of the insertion/extraction of cations.Among various organic electrode materials,n-type organics(ready to accept electrons)are the most widely investigated in aqueous systems due to their high specific capacity and appropriate redox potential(between hydrogen evolution potential and oxygen evolution

关 键 词：有机物电极 醌类化合物 电荷载体离子 第一性原理计算 

分 类 号：O646[理学—物理化学]