Simulation of polymeric mixed ionic and electronic conductors with a combined classical and quantum mechanical model-Reference-Cited by-同舟云学术

Simulation of polymeric mixed ionic and electronic conductors with a combined classical and quantum mechanical model

Published:2023 Issue:24 Volume:11 Page:8062-8073
ISSN:2050-7526
Container-title:Journal of Materials Chemistry C
language:en
Short-container-title:J. Mater. Chem. C

Author:

Landi Alessandro¹²^ORCID,Reisjalali Maryam¹,Elliott Joshua D.³^ORCID,Matta Micaela¹^ORCID,Carbone Paola³^ORCID,Troisi Alessandro¹^ORCID

Affiliation:

1. Department of Chemistry, University of Liverpool, Liverpool, L69 3BX, UK

2. Dipartimento di Chimica e Biologia Adolfo Zambelli, Università di Salerno, Via Giovanni Paolo II, I-84084 Fisciano, Salerno, Italy

3. Department of Chemical Engineering, University of Manchester, Manchester, M13 9PL, UK

Abstract

We present a model enabling the simulation of doped polymers in the vicinity of water and ions taking into account large electronic rearrangements coupled with slow dynamics.

Funder

H2020 European Research Council

H2020 Marie Skłodowska-Curie Actions

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/TC/D2TC05103F

Reference88 articles.

1. Organic mixed ionic–electronic conductors

2. Mixed Ionic-Electronic Transport in Polymers

3. 100th Anniversary of Macromolecular Science Viewpoint: Recent Advances and Opportunities for Mixed Ion and Charge Conducting Polymers

4. Conducting-polymer-based supercapacitor devices and electrodes

5. Organic Electrode Materials for Rechargeable Lithium Batteries

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