期刊
CHEMPHYSCHEM
卷 15, 期 12, 页码 2503-2509出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.201402220
关键词
differential capacitance; electric double layer; ionic liquids; molecular dynamics; temperature effects
资金
- NSFC [21373118, 21073097]
- Natural Science Foundation of Tianjin [12JCYBJC13900]
- MOE Innovation Team of China [IRT13022]
- [NCET-10-0512]
Temperature-dependent electric double layer (EDL) and differential capacitance-potential (C-d-U) curves of the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM+/PF6+) were studied on a graphite electrode by molecular dynamics simulations. It was found that all C-d-U curves were asymmetric camel-shaped with higher C-d at negative polarization, attributed to the specific adsorption of BMIM+. In addition, the maxima of C-d at the negative polarization decrease monotonically with temperature due to the thicker EDL, whereas at the positive polarization they gradually increase from 450 to 550 K and decrease at 600 K. Such temperature effects at positive polarization may be understood in terms of the competition between two aspects: the weakening specific adsorption of BMIM+ allows more effective screening to the positive charge and overall increasing EDL thickness. Although the former dominates from 450 to 550 K, the latter becomes dominant at 600 K.
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