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231224s2017 xx |||||o 00| ||eng c |
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|a 10.1021/acs.langmuir.7b00731
|2 doi
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|a eng
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|a McCallum, Christopher
|e verfasserin
|4 aut
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|a Two-Dimensional Electric Double Layer Structure with Heterogeneous Surface Charge
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|c 2017
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|a ƒa Online-Ressource
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|a Date Completed 13.07.2018
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|a Date Revised 13.07.2018
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a In this work we present a systematic study of the lateral (parallel to the wall) and normal (perpendicular to the wall) nanostructure of the electric double layer at a heterogeneous interface between two regions of different surface charges, often found in nanoscale electrochemical devices. Specifically, classical density functional theory (DFT) is used to probe a cation concentration range of 10 mM to 1 M, for valences of +1, + 2, and +3, and a diameter range of 0.15-0.9 nm over widely varying surface charges (between -0.15 and +0.15 C/m2). The DFT results predict significant lateral and normal nanostructure in the form of ion concentration oscillations. These results are directly compared with those from Poisson-Boltzmann theory, showing significant deviation between the two theories, not only in the concentration profiles, but also in the sign of the electrostatic potential
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|a Journal Article
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|a Research Support, U.S. Gov't, Non-P.H.S.
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| 700 |
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|a Pennathur, Sumita
|e verfasserin
|4 aut
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| 700 |
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|a Gillespie, Dirk
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 33(2017), 23 vom: 13. Juni, Seite 5642-5651
|w (DE-627)NLM098181009
|x 1520-5827
|7 nnns
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|g volume:33
|g year:2017
|g number:23
|g day:13
|g month:06
|g pages:5642-5651
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|u http://dx.doi.org/10.1021/acs.langmuir.7b00731
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