量子电容
石墨烯
电容
超级电容器
密度泛函理论
氧化物
材料科学
电极
化学
纳米技术
电荷密度
假电容
计算化学
物理化学
冶金
作者
Ce Song,Jinyan Wang,Zhaoliang Meng,Xigao Jian,Xigao Jian
出处
期刊:ChemPhysChem
[Wiley]
日期:2018-07-05
卷期号:19 (13): 1579-1583
被引量:34
标识
DOI:10.1002/cphc.201800070
摘要
Graphene oxide has become an attractive electrode-material candidate for supercapacitors thanks to its higher specific capacitance compared to graphene. The quantum capacitance makes relative contributions to the specific capacitance, which is considered as the major limitation of graphene electrodes, while the quantum capacitance of graphene oxide is rarely concerned. This study explores the quantum capacitance of graphene oxide, which bears epoxy and hydroxyl groups on its basal plane, by employing density functional theory (DFT) calculations. The results demonstrate that the total density of states near the Fermi level is significantly enhanced by introducing oxygen-containing groups, which is beneficial for the improvement of the quantum capacitance. Moreover, the quantum capacitances of the graphene oxide with different concentrations of these two oxygen-containing groups are compared, revealing that more epoxy and hydroxyl groups result in a higher quantum capacitance. Notably, the hydroxyl concentration has a considerable effect on the capacitive behavior.
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