Dielectric profile of interfacial water and its effect on double-layer capacitance

The framework for deriving tensorial interfacial dielectric profiles from bound charge distributions is established and applied to molecular dynamics simulations of water at hydrophobic and hydrophilic surfaces. In conjunction with a modified Poisson-Boltzmann equation, the trend of experimental dou...

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Bibliographic Details
Published in:Physical review letters 2011-10, Vol.107 (16), p.166102-166102, Article 166102
Main Authors: Bonthuis, Douwe Jan, Gekle, Stephan, Netz, Roland R
Format: Article
Language:English
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Summary:The framework for deriving tensorial interfacial dielectric profiles from bound charge distributions is established and applied to molecular dynamics simulations of water at hydrophobic and hydrophilic surfaces. In conjunction with a modified Poisson-Boltzmann equation, the trend of experimental double-layer capacitances is well reproduced. We show that the apparent Stern layer can be understood in terms of the dielectric profile of pure water.
ISSN:0031-9007
1079-7114
DOI:10.1103/physrevlett.107.166102