Structure and charging kinetics of electrical double layers at large electrode voltages

Clint Cagle; Guang Feng; Rui Qiao; Jingsong Huang; Bobby G. Sumpter; Vincent Meunier

doi:10.1007/s10404-009-0542-2

Structure and charging kinetics of electrical double layers at large electrode voltages

Clint Cagle
, Guang Feng
, Rui Qiao
, Jingsong Huang
, Bobby G. Sumpter
, Vincent Meunier

Engineering Science and Mechanics

Research output: Contribution to journal › Article › peer-review

25 Scopus citations

Abstract

The structure and charging kinetics of electrical double layers (EDLs) at interfaces of NaCl solutions and planar electrodes are studied by molecular dynamics (MD) and Poisson-Nernst-Planck (PNP) simulations. Based on the MD results and prior experimental data, we show that counterion packing in planar EDLs does not reach the steric limit at electrode voltages below 1 V. In addition, we demonstrate that a PNP model, when complemented with a Stern model, can be effectively used to capture the overall charging kinetics. However, the PNP/Stern model can only give a qualitative description of the fine features of the EDL.

Original language	English (US)
Pages (from-to)	703-708
Number of pages	6
Journal	Microfluidics and Nanofluidics
Volume	8
Issue number	5
DOIs	https://doi.org/10.1007/s10404-009-0542-2
State	Published - May 2010

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Materials Chemistry

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10.1007/s10404-009-0542-2

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@article{8095ce2656b04de197fefdb5d2f8c5c7,

title = "Structure and charging kinetics of electrical double layers at large electrode voltages",

abstract = "The structure and charging kinetics of electrical double layers (EDLs) at interfaces of NaCl solutions and planar electrodes are studied by molecular dynamics (MD) and Poisson-Nernst-Planck (PNP) simulations. Based on the MD results and prior experimental data, we show that counterion packing in planar EDLs does not reach the steric limit at electrode voltages below 1 V. In addition, we demonstrate that a PNP model, when complemented with a Stern model, can be effectively used to capture the overall charging kinetics. However, the PNP/Stern model can only give a qualitative description of the fine features of the EDL.",

author = "Clint Cagle and Guang Feng and Rui Qiao and Jingsong Huang and Sumpter, \{Bobby G.\} and Vincent Meunier",

note = "Funding Information: Acknowledgments R.Q. thanks Professor Bazant at MIT for helpful discussions. The authors thank the Clemson-CCIT office for providing computer time. The Clemson authors acknowledge support from NSF under grant No. CBET-0756496. R.Q. was partly supported by an appointment to the HERE program for faculty at the Oak Ridge National Laboratory (ORNL) administered by ORISE. The authors at ORNL gratefully acknowledge the support from the Laboratory Directed Research and Development Program of ORNL and from U.S. Department of Energy under Contract No. DEAC05-00OR22725 with UT-Battelle, LLC at ORNL.",

year = "2010",

month = may,

doi = "10.1007/s10404-009-0542-2",

language = "English (US)",

volume = "8",

pages = "703--708",

journal = "Microfluidics and Nanofluidics",

issn = "1613-4982",

publisher = "Springer Verlag",

number = "5",

}

TY - JOUR

T1 - Structure and charging kinetics of electrical double layers at large electrode voltages

AU - Cagle, Clint

AU - Feng, Guang

AU - Qiao, Rui

AU - Huang, Jingsong

AU - Sumpter, Bobby G.

AU - Meunier, Vincent

N1 - Funding Information: Acknowledgments R.Q. thanks Professor Bazant at MIT for helpful discussions. The authors thank the Clemson-CCIT office for providing computer time. The Clemson authors acknowledge support from NSF under grant No. CBET-0756496. R.Q. was partly supported by an appointment to the HERE program for faculty at the Oak Ridge National Laboratory (ORNL) administered by ORISE. The authors at ORNL gratefully acknowledge the support from the Laboratory Directed Research and Development Program of ORNL and from U.S. Department of Energy under Contract No. DEAC05-00OR22725 with UT-Battelle, LLC at ORNL.

PY - 2010/5

Y1 - 2010/5

N2 - The structure and charging kinetics of electrical double layers (EDLs) at interfaces of NaCl solutions and planar electrodes are studied by molecular dynamics (MD) and Poisson-Nernst-Planck (PNP) simulations. Based on the MD results and prior experimental data, we show that counterion packing in planar EDLs does not reach the steric limit at electrode voltages below 1 V. In addition, we demonstrate that a PNP model, when complemented with a Stern model, can be effectively used to capture the overall charging kinetics. However, the PNP/Stern model can only give a qualitative description of the fine features of the EDL.

AB - The structure and charging kinetics of electrical double layers (EDLs) at interfaces of NaCl solutions and planar electrodes are studied by molecular dynamics (MD) and Poisson-Nernst-Planck (PNP) simulations. Based on the MD results and prior experimental data, we show that counterion packing in planar EDLs does not reach the steric limit at electrode voltages below 1 V. In addition, we demonstrate that a PNP model, when complemented with a Stern model, can be effectively used to capture the overall charging kinetics. However, the PNP/Stern model can only give a qualitative description of the fine features of the EDL.

UR - https://www.scopus.com/pages/publications/77954758124

UR - https://www.scopus.com/pages/publications/77954758124#tab=citedBy

U2 - 10.1007/s10404-009-0542-2

DO - 10.1007/s10404-009-0542-2

M3 - Article

AN - SCOPUS:77954758124

SN - 1613-4982

VL - 8

SP - 703

EP - 708

JO - Microfluidics and Nanofluidics

JF - Microfluidics and Nanofluidics

IS - 5

ER -

Structure and charging kinetics of electrical double layers at large electrode voltages

Abstract

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