Side chain engineering control of mixed conduction in oligoethylene glycol-substituted polythiophenes

Abstract

A major limitation for polymeric mixed ionic/electronic conductors (MIECs) is the trade-off between ionic and electronic conductivity; changes made that improve one typically hinder the other. In order to address...

Circular Discovery in Small Molecule and Conjugated Polymer Synthetic Methodology

“…This view is becoming outdated with growing interest in the inclusion of heteroatoms in the side chains of thiophene-based monomers, arising from the recent attention toward mixed ionic–electronic conductors. 45 Alongside this, some early studies indicate the beneficial impact introducing side chains that can participate in H-bonding has on improving charge mobility through intermolecular H-bonds of nearby side chains. 46 Esters in particular have been evidenced for their ordering morphological effect with demonstrably shorter π–π stacking distances in polymers with ester-containing side chains.…”

Soft Ionics: Governing Physics and State of Technologies

“…Higher humidity is beneficial because water molecules weaken electrostatic potential traps created by anions [268]. Ionics and electronic conductivities could be simultaneously enhanced by altering oxygen positions on polymer side chains [269]. Additionally, the Seebeck coefficient was improved in various ways, including type II cellulose ionic conductors associated with high Na + selectivity [270], a gelatin matrix modified with added ion providers and redox couple species [271], an ionogel composed of ionic liquids and PVDF-HFP [272], and a lowcost ambipolar ionic polymer gel [273].…”

Hybrid Organic-Inorganic Materials and Interfaces With Mixed Ionic-Electronic Transport Properties: Advances in Experimental and Theoretical Approaches

“…However, there are still very few reports dealing with computational simulation approaches of mixed ionic-electronic transport of h OI materials and interfaces mainly due to their extremely demanding computational cost. In the last years, there have been some advances but only for isolated inorganic ( Nakayama et al, 2012 ; Suthirakun et al, 2014 ; He et al, 2017 ; Taylor et al, 2017 ; Kim et al, 20182019 ; Parras et al, 2018 ; Wind et al, 2018 ; Griffith et al, 2019 ; Heifets et al, 2019 ; Kang et al, 20192019 ; Wang et al, 2020b ) and organic ( Dong et al, 2019 ; Matta et al, 2020 ; Mombrú et al, 2020 ; Dong et al, 2021 ; Onorato et al, 2021 ; Zozoulenko et al, 2021 ; Mombrú et al, 2022 ) phases revealing quite interesting features.…”

“…For organic materials, due to their typical amorphous and/or crystalline nature, larger systems including the evaluation of these structural features are usually studied by MD calculations, at least to evaluate their effects on the isolated ionic or (indirectly) electronic transport ( Dong et al, 2019 ; Mombrú et al, 2020 ; Dong et al, 2021 ; Onorato et al, 2021 ). Furthermore, MD simulations have been useful to evidence that, upon swelling cations interact with the polymer side chains while upon doping the excess anions penetrating the polymer microstructure are expected to be more closely interacting with the polymer backbone, stabilizing polarons ( Matta et al, 2020 ; Cendra et al, 2019 ; Flagg et al, 2018 ; Inal et al, 2016 ; Savva et al, 2019 ).…”