A molecular dynamics simulation study of the electric double layer and capacitance of [BMIM][PF6] and [BMIM][BF4] room temperature ionic liquids near charged surfaces
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Title
A molecular dynamics simulation study of the electric double layer and capacitance of [BMIM][PF6] and [BMIM][BF4] room temperature ionic liquids near charged surfaces
Authors
Keywords
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Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 15, Issue 34, Pages 14234
Publisher
Royal Society of Chemistry (RSC)
Online
2013-06-25
DOI
10.1039/c3cp51218e
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- (2012) Kalaivani Subramaniam et al. COMPOSITES SCIENCE AND TECHNOLOGY
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- (2012) Chin Yong Neo et al. ELECTROCHIMICA ACTA
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- (2012) Afriyanti Sumboja et al. ELECTROCHIMICA ACTA
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- (2012) R. Palm et al. ELECTROCHIMICA ACTA
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- (2012) R. Leones et al. Express Polymer Letters
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- (2012) Farhad Gharagheizi et al. FLUID PHASE EQUILIBRIA
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