Triazine-Functionalized Nitrogen-Rich Covalent Organic Framework as an Electrode Material for Aqueous Symmetric Supercapacitor

IF 3.5 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Ikrar Ahmad, Omkar Singh, Jahangeer Ahmed,  Priyanka, Saad M. Alshehri, Chitranjan Bharti,  Vidivay
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引用次数: 0

Abstract

Covalent triazine frameworks, with their ordered pores and crystalline structure that exhibit heteroatom impacts, demonstrate outstanding chemical stability, making them designable for charge storage applications. In this study, the triazine-based covalent organic frameworks (TPT@BDA-COF) was synthesized using 4′,4′′′,4′′′′′-(1,3,5-Triazine-2,4,6-triyl) tris (([1,1′-biphenyl]-4-amine)) (TPT) and 4,4′-Oxydibenzaldehyde (BDA) following polycondensation process. Interestingly, these resulted in the fabrication of a well-connected, orderly porous crystalline structure, redox-active moiety, and significantly high doping atomic percentages of N (~13.6 %). The three-electrode electrochemical study, showed a stable electrochemical potential window of 1.8 V (−0.45 to +1.35) in 1 M NaClO4 electrolyte, it exhibited a high specific capacitance of 92.6 mF/cm2 with a high energy density 41.7 Wh/kg respectively. The symmetric supercapacitor designed using TPT@BDA-COF as both anode and cathode exhibited high specific capacitance (F/g) and gravimetric energy density (Wh/kg): 17.8, 36.9, 43.7, 47.7 and 3.5, 16.6, 13.7, 21.6 in 1 M CH3COONa, 1 M Na2SO4, 1 M NaNO3, 1 M NaClO4 electrolyte respectively. It showed excellent cyclic stability (105.2 %), and Coulombic efficiency (97.5 %) even after 10 k GCD cycles in 1 M NaClO4 at 2 A/g. Interestingly, ClO4 anions exhibited a better chaotropic nature (water structure breaker) as compared to CH3COO, SO4−2, and NO3. Their energy storage competence is supported by the illumination of 1 white and 1 red LED upon charging a single SSC for 50 sec each. A Quantum Mechanics (QM) calculation and Molecular Dynamics (MD) simulation are performed to investigate and validate the stability of Covalent Organic Frameworks (COFs). DFT calculations were carried out using the SCF approach B3LYP-631G(d) basis set to compute the HOMO and LUMO energies and their respective location in COF.

Abstract Image

三嗪功能化富氮共价有机骨架作为水对称超级电容器电极材料。
共价三嗪框架具有有序的孔隙和具有杂原子冲击的晶体结构,表现出出色的化学稳定性,使其可用于电荷存储应用。本研究以4',4'',4'''''-(1,3,5-三嗪-2,4,6-三基)三(([1,1'-联苯]-4-胺))(TPT)和4,4'-氧二苯甲醛(BDA)经缩聚工艺合成TPT@BDA-COF。有趣的是,这导致了连接良好、有序的多孔晶体结构、氧化还原活性部分和高掺杂N(~13.6%)的制备。三电极电化学研究表明,在1 M NaClO4电解液中,其稳定的电化学电位窗口为1.8 V(-0.45 ~ +1.35),比电容为92.6 mF/cm2,能量密度为41.7 Wh/kg。以TPT@BDA-COF为正极和负极的对称超级电容器在1 M CH3COONa、1 M Na2SO4、1 M NaNO3、1 M NaClO4电解液中的比电容(F/g)和重量能量密度(Wh/kg)分别为17.8、36.9、43.7、47.7和3.5、16.6、13.7、21.6。在1 M NaClO4中,以2 A/g的速率循环10k后,其循环稳定性为105.2%,库仑效率为97.5%。有趣的是,与CH3COO-、SO4-2和NO3-相比,ClO4-阴离子表现出更好的混沌性(水结构破坏者)。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Chemistry - An Asian Journal
Chemistry - An Asian Journal 化学-化学综合
CiteScore
7.00
自引率
2.40%
发文量
535
审稿时长
1.3 months
期刊介绍: Chemistry—An Asian Journal is an international high-impact journal for chemistry in its broadest sense. The journal covers all aspects of chemistry from biochemistry through organic and inorganic chemistry to physical chemistry, including interdisciplinary topics. Chemistry—An Asian Journal publishes Full Papers, Communications, and Focus Reviews. A professional editorial team headed by Dr. Theresa Kueckmann and an Editorial Board (headed by Professor Susumu Kitagawa) ensure the highest quality of the peer-review process, the contents and the production of the journal. Chemistry—An Asian Journal is published on behalf of the Asian Chemical Editorial Society (ACES), an association of numerous Asian chemical societies, and supported by the Gesellschaft Deutscher Chemiker (GDCh, German Chemical Society), ChemPubSoc Europe, and the Federation of Asian Chemical Societies (FACS).
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