Co掺杂Ni(OH)_(2)的超级电容器性能及其第一性原理计算研究  

Supercapacitor performance and first⁃principles calculation study of Co⁃doping Ni(OH)2

作　　者：常进 CHANG Jin(College of Energy and Materials Engineering,Taiyuan University of Science and Technology,Taiyuan 030024,China)

机构地区：[1]太原科技大学能源与材料工程学院,太原030024

出　　处：《无机化学学报》2024年第9期1697-1707,共11页Chinese Journal of Inorganic Chemistry

基　　金：太原科技大学科研启动基金(No.20242018);山西省高等学校科技创新计划项目(No.2022L327)资助。

摘　　要：采用简单的共沉淀法制备了Co掺杂的Ni(OH)_(2),通过Co/Ni的协同作用改善了材料的电化学性能。Co原子掺杂改善了材料形貌,暴露了更多的缺陷位,提高了材料的电化学活性。同时第一性原理计算表明,Co掺杂也改变了Ni的电子云分布,提高了材料的电荷传输和离子扩散性能。得益于适宜的Co掺杂量,Ni_(0.84)Co_(0.16)(OH)_(2)在1 A·g^(-1)的电流密度下质量比容量高达1 589.6 F·g^(-1),同时组装后的非对称超级电容器在功率密度为21.33 kW·kg^(-1)时仍具有8.30 Wh·kg^(-1)的能量密度,显示出了良好的储能性能和循环性能。Co-doped Ni(OH)_(2) was prepared by a simple co-precipitation method,and the electrochemical perfor-mance was improved by the Co/Ni synergistic effect.Co-doping refined the grain size of Ni(OH)_(2),improved the mor-phology of the material,exposed more active sites,and improved the electrochemical activity of the material.Mean-while,the first-principle calculation showed that Co-doping also changed the electron density distribution of Ni,leading to the improvement of the charge transport and ion diffusion properties of the material.Due to the appropri-ate quantity of Co doping,Ni0.84Co0.16(OH)_(2) had excellent electrochemical energy storage of 1589.6 F·g^(-1) at the cur-rent density of 1 A·g^(-1),far higher than that of Ni(OH)_(2)(1191.7 F·g^(-1)).Meanwhile,the assembled asymmetric super-capacitor had an energy density of 8.30 Wh·kg^(-1) when the power density was 21.33 kW·kg^(-1),showing a good energy storage performance and cycle performance.

关 键 词：超级电容器 氢氧化镍 钴掺杂 

分 类 号：O614.812[理学—无机化学] TB34[理学—化学]