Poisson–Boltzmann modeling and molecular dynamics simulations of polyelectrolyte gel diodes in the static regime-Reference-Cited by-同舟云学术

Poisson–Boltzmann modeling and molecular dynamics simulations of polyelectrolyte gel diodes in the static regime

Published:2020 Issue:4 Volume:16 Page:1091-1101
ISSN:1744-683X
Container-title:Soft Matter
language:en
Short-container-title:Soft Matter

Author:

Triandafilidi Vasilii¹²³⁴^ORCID,Hatzikiriakos Savvas G.¹²³⁴,Rottler Jörg⁵²³⁴^ORCID

Affiliation:

1. Dept. of Chemical Engineering

2. University of British Columbia

3. Vancouver

4. Canada

5. Dept. of Physics and Astronomy and Quantum Matter Institute

Abstract

We compare MD simulations of a model polyelectrolyte gel diode (PGD) to a Poisson–Boltzmann (PB) model. We study the rectifying behaviour at different electrostatic coupling strengths and suggest an updated PB model for improved modelling of PGDs.

Funder

University of British Columbia

Alexander von Humboldt-Stiftung

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/SM/C9SM02232E

Reference30 articles.

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