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以三(羟甲基)氨基甲烷功能化的氧化石墨烯作为超级电容器电极材料的实验与计算研究

An experimental and computational study of graphene oxide functionalized with tris(hydroxymethyl)aminomethane as an electrode material for supercapacitors.

作者信息

Mohammadi Samira, Mousavi-Khoshdel S Morteza

机构信息

Industrial Electrochemical Research Laboratory, Department of Chemistry, Iran University of Science and Technology, Tehran, Iran.

出版信息

Sci Rep. 2023 Oct 5;13(1):16756. doi: 10.1038/s41598-023-44048-z.

Abstract

In this research, graphene oxide (GO) functionalized with tris(hydroxymethyl)aminomethane (T) was synthesized with a simple one-pot method, and applied as an electrode material for supercapacitors. Electrochemical measurements on the synthesized tris(hydroxymethyl)aminomethane-functionalized graphene oxide (GO@T) indicated a specific capacitance of 549.8 F g at a specific current of 2.5 A g and a specific capacitance of 358 F g at a specific current of 7 A g in the potential range of - 0.5-0.5 V versus Ag/AgCl. It also showed a high cyclic stability. According to the results, 80 and 68% of the initial capacitance was retained after 5500 and 9300 cycles, respectively. Density functional theory calculations were used to investigate the quantum capacitance, free energy change during functionalization reaction, and the layer distance of GO and GO@T.

摘要

在本研究中,采用简单的一锅法合成了用三(羟甲基)氨基甲烷(T)功能化的氧化石墨烯(GO),并将其用作超级电容器的电极材料。对合成的三(羟甲基)氨基甲烷功能化氧化石墨烯(GO@T)进行的电化学测量表明,在相对于Ag/AgCl的-0.5-0.5 V电位范围内,在2.5 A g的比电流下比电容为549.8 F g,在7 A g的比电流下比电容为358 F g。它还表现出高循环稳定性。根据结果,在5500次和9300次循环后,分别保留了初始电容的80%和68%。采用密度泛函理论计算来研究量子电容、功能化反应过程中的自由能变化以及GO和GO@T的层间距。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1042/10556013/02bc617362aa/41598_2023_44048_Fig3_HTML.jpg

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