Why does solvent treatment increase the conductivity of PEDOT : PSS? Insight from molecular dynamics simulations

Mohsen Modarresi; Igor Zozoulenko

doi:10.1039/d2cp02655d

journal article Open Access Jan 01, 2022

Why does solvent treatment increase the conductivity of PEDOT : PSS? Insight from molecular dynamics simulations

Mohsen Modarresi

Igor Zozoulenko

Physical Chemistry Chemical Physics Vol. 24 No. 36 pp. 22073-22082 · Royal Society of Chemistry (RSC)

View at Publisher Save 10.1039/d2cp02655d

Abstract

The mechanism of PEDOT : PSS conductivity enhancement after polar solvent treatment.

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References

62

[1]

Keene Phys. Chem. Chem. Phys. (2022) 10.1039/d2cp02595g

[2]

Berggren Adv. Mater. (2019) 10.1002/adma.201805813

[3]

Petsagkourakis Adv. Electron. Mater. (2019) 10.1002/aelm.201800918

[4]

Electronic, Optical, Morphological, Transport, and Electrochemical Properties of PEDOT: A Theoretical Perspective

Igor Zozoulenko, Juan Felipe Franco-Gonzalez, Viktor Gueskine et al.

Macromolecules 2021 10.1021/acs.macromol.1c00444

[5]

Microscopic Understanding of the Granular Structure and the Swelling of PEDOT:PSS

Mohsen Modarresi, Aleksandar Mehandzhiyski, Mats Fahlman et al.

Macromolecules 2020 10.1021/acs.macromol.0c00877

[6]

Kee Adv. Mater. (2016) 10.1002/adma.201505473

[7]

Gasiorowski Thin Solid Films (2013) 10.1016/j.tsf.2013.03.124

[8]

Thomas J. Mater. Chem. A (2014) 10.1039/c3ta14590e

[9]

Chou J. Mater. Chem. C (2015) 10.1039/c5tc00276a

[10]

Deetuam J. Appl. Polym. Sci. (2015) 10.1002/app.42108

[11]

Yan J. Phys. Chem. C (2015) 10.1021/acs.jpcc.5b00465

[12]

Zhang APL Mater. (2015) 10.1063/1.4905154

[13]

Lee ACS Appl. Mater. Interfaces (2016) 10.1021/acsami.5b08753

[14]

Kim E-Polym. (2017) 10.1515/epoly-2017-0098

[15]

Dhar Org. Electron. (2018) 10.1016/j.orgel.2017.11.024

[16]

Lingstedt Adv. Electron. Mater. (2019) 10.1002/aelm.201800804

[17]

Dong Adv. Mater. Interfaces (2020) 10.1002/admi.202000641

[18]

Mahato Appl. Surf. Sci. (2020) 10.1016/j.apsusc.2019.143967

[19]

Vedovatte J. Mater. Sci.: Mater. Electron. (2020)

[20]

Wang Polymers (2020) 10.3390/polym13010012

[21]

Cassinelli Appl. Phys. Lett. (2021) 10.1063/5.0054477

[22]

Li ACS Appl. Polym. Mater. (2021) 10.1021/acsapm.0c01084

[23]

Characterization of Solvent-Treated PEDOT:PSS Thin Films with Enhanced Conductivities

Syang-Peng Rwei, Yi-Huan Lee, Jia-Wei Shiu et al.

Polymers 2019 10.3390/polym11010134

[24]

Yildirim J. Mater. Chem. C (2018) 10.1039/c8tc00917a

[25]

Bulk Heterojunction Morphologies with Atomistic Resolution from Coarse-Grain Solvent Evaporation Simulations

Riccardo Alessandri, Jaakko J. Uusitalo, Alex H. de Vries et al.

Journal of the American Chemical Society 2017 10.1021/jacs.6b11717

[26]

Moser Adv. Funct. Mater. (2021) 10.1002/adfm.202100723

[27]

Gladisch Adv. Sci. (2020) 10.1002/advs.201901144

[28]

Ghosh ACS Appl. Electron. Mater. (2020) 10.1021/acsaelm.0c00833

[29]

de Izarra J. Phys. Chem. B (2021) 10.1021/acs.jpcb.0c10068

[30]

de Izarra J. Phys. Chem. B (2021) 10.1021/acs.jpcb.1c02445

[31]

de Izarra J. Am. Chem. Soc. (2018) 10.1021/jacs.7b10306

[32]

Alessandri Adv. Mater. (2021) 10.1002/adma.202008635

[33]

Modarresi Phys. Chem. Chem. Phys. (2018) 10.1039/c8cp02902d

[34]

Vögele J. Chem. Phys. (2015) 10.1063/1.4937805

[35]

Modarresi Phys. Chem. Chem. Phys. (2019) 10.1039/c8cp07141a

[36]

Polarizable Water Model for the Coarse-Grained MARTINI Force Field

Semen O. Yesylevskyy, Lars V. Schäfer, Durba Sengupta et al.

PLOS Computational Biology 2010 10.1371/journal.pcbi.1000810

[37]

Alessandri J. Chem. Theory Comput. (2019) 10.1021/acs.jctc.9b00473

[38]

Jain J. Colloid Interface Sci. (2021) 10.1016/j.jcis.2020.09.070

[39]

Delavari Macromolecules (2021) 10.1021/acs.macromol.1c00723

[40]

Michaels Macromolecules (2021) 10.1021/acs.macromol.1c00351

[41]

Michaels Macromolecules (2021) 10.1021/acs.macromol.1c00860

[42]

Jones Mol. Simul. (2017) 10.1080/08927022.2017.1296958

[43]

Rolland Comput. Mater. Sci. (2020) 10.1016/j.commatsci.2020.109678

[44]

Kim J. Phys. Chem. B (2021) 10.1021/acs.jpcb.1c04079

[45]

Kim J. Phys. Chem. B (2019) 10.1021/acs.jpcb.9b01745

[46]

Dickhaus Colloids Surf., A (2016) 10.1016/j.colsurfa.2015.10.015

[47]

Dong J. Phys. Chem. B (2009) 10.1021/jp906087c

[48]

Heller ChemTexts (2020) 10.1007/s40828-020-00112-z

[49]

A smooth particle mesh Ewald method

Ulrich Essmann, Lalith Perera, Max L. Berkowitz et al.

The Journal of Chemical Physics 1995 10.1063/1.470117

[50]

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

Mark James Abraham, Teemu Murtola, Roland Schulz et al.

SoftwareX 2015 10.1016/j.softx.2015.06.001

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Details

Published: Jan 01, 2022
Vol/Issue: 24(36)
Pages: 22073-22082
License: View

Authors

M

Mohsen Modarresi

Department of Physics, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran; Laboratory of Organic Electronics, ITN, Linköping University, 60174 Norrköping, Sweden

I

Igor Zozoulenko

Laboratory of Organic Electronics, ITN, Linköping University, 60174 Norrköping, Sweden

Funding

Vetenskapsrådet Award: 2016-05990

Cite This Article

Mohsen Modarresi, Igor Zozoulenko (2022). Why does solvent treatment increase the conductivity of PEDOT : PSS? Insight from molecular dynamics simulations. Physical Chemistry Chemical Physics, 24(36), 22073-22082. https://doi.org/10.1039/d2cp02655d

Why does solvent treatment increase the conductivity of PEDOT : PSS? Insight from molecular dynamics simulations

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