Graphene Oxide Supercapacitors: A Computer Simulation Study

被引：56

作者：

DeYoung, Andrew D. ^{[1
]}

Park, Sang-Won ^{[2
]}

Dhumal, Nilesh R. ^{[1
]}

Shim, Youngseon ^{[2
]}

Jung, YounJoon ^{[2
]}

Kim, Hyung J. ^{[1
,3
]}

机构：

[1] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA

[2] Seoul Natl Univ, Dept Chem, Seoul 151747, South Korea

[3] Korea Inst Adv Study, Sch Computat Sci, Seoul 130722, South Korea

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2014年 / 118卷 / 32期

基金：

新加坡国家研究基金会; 美国国家科学基金会;

关键词：

TEMPERATURE IONIC LIQUIDS; SOLUTE ELECTRONIC POLARIZABILITY; MOLECULAR-DYNAMICS SIMULATION; DIFFERENTIAL CAPACITANCE; DOUBLE-LAYER; ELECTROCHEMICAL REDUCTION; CARBON SUPERCAPACITORS; FORCE-FIELD; PERFORMANCE; SOLVATION;

D O I：

10.1021/jp5072583

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Supercapacitors with graphene oxide (GO) electrodes in a parallel plate configuration are studied with molecular dynamics (MD) simulations. The full range of electrode oxidation from 0% (pure graphene) to 100% (fully oxidized GO) is investigated by decorating the graphene surface with hydroxyl groups. The ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate (EMI+BF4-) is examined as an electrolyte. Capacitance tends to decrease with increasing electrode oxidation, in agreement with several recent measurements. This trend is attributed to the decreasing reorganization ability of ions near the electrode and a widening gap in the double layer structures as the density of hydroxyl groups on the electrode surface increases.

引用

页码：18472 / 18480

页数：9

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