首页> 外文期刊>Journal of chemical theory and computation: JCTC >Curvature Effect on the Capacitance of Electric Double Layers at Ionic Liquid/Onion-Like Carbon Interfaces
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Curvature Effect on the Capacitance of Electric Double Layers at Ionic Liquid/Onion-Like Carbon Interfaces

机译:离子液体/类似洋葱的碳界面上双电层电容的曲率效应

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摘要

Recent experiments have revealed that onion-like carbons (OLCs) offer high energy density and charging/dischargingrates when used as the electrodes in supercapacitors. To understand the physical origin of this phenomenon, molecular dynamics simulations were performed for a room-temperature ionic liquid near idealized spherical OLCs with radii ranging from 0.356 to 1.223 nm, We find that the surface charge density increases almost linearly with the potential applied on electric double layers (EDLs) near OLCs. This leads to a nearly flat shape of the differential capacitance versus the potential, unlike the bell or camel shape observed on planar electrodes. Moreover, our simulations reveal that the capacitance of EDLs on OLCs increases with the curvature or as the OLC size decreases, in agreement with experimental observations. The curvature effect is explained by dominance of charge overscreening over a wide potential range and increased ion density per unit area of electrode surface as the OLC becomes smaller.
机译:最近的实验表明,洋葱状碳(OLC)用作超级电容器中的电极时,具有很高的能量密度和充放电率。为了了解这种现象的物理根源,对室温下理想半径为0.356到1.223 nm的球形OLC的离子液体进行了分子动力学模拟,我们发现表面电荷密度随施加在电势上的电势几乎呈线性增加OLC附近的双层(EDL)。与在平面电极上观察到的钟形或骆驼形不同,这导致差分电容与电势的近似平坦的形状。此外,我们的仿真显示,与实验观察结果一致,OLC上EDL的电容随曲率或OLC尺寸的减小而增加。曲率效应的解释是,随着OLC变小,电荷在宽电位范围内过筛的优势以及电极表面每单位面积离子密度的增加。

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