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与水接触的导电聚合物共混物的结构特性:来自聚(3,4-乙撑二氧噻吩):聚苯乙烯磺酸盐的计算见解

Structural properties of conductive polymer blends interfaced with water: computational insights from PEDOT:PSS.

作者信息

Guruge Amali G, Makki Hesam, Troisi Alessandro

机构信息

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

出版信息

J Mater Chem C Mater. 2024 Oct 18;12(47):19245-19257. doi: 10.1039/d4tc03066d. eCollection 2024 Dec 5.

DOI:10.1039/d4tc03066d
PMID:39465130
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11497116/
Abstract

In various bioelectronic applications, conductive polymers come into contact with biological tissues, where water is the major component. In this study, we investigated the interface between the conductive polymer poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) and water, focusing on how the morphology of the PEDOT:PSS is altered by water permeation. We constructed well-equilibrated PEDOT:PSS-water systems in both PEDOT- and PSS-rich phases. Our findings show that water permeates into the polymer through a complex network of water channels, which exhibit a similar pore size distribution in both PEDOT- and PSS-rich phases, leading to similar water intake in these phases. Compared to the dry state of the polymer, water permeation leads to the formation of smaller, less ordered, and distantly located lamella crystallites, potentially resulting in reduced conductivity. Therefore, we argue that these structural changes from the dry state of the polymer to the wet state may be the origin of the significant conductivity reduction observed experimentally in PEDOT:PSS in water or PEDOT:PSS hydrogels.

摘要

在各种生物电子应用中,导电聚合物会与生物组织接触,而水是生物组织的主要成分。在本研究中,我们研究了导电聚合物聚(3,4 - 亚乙基二氧噻吩):聚苯乙烯磺酸盐(PEDOT:PSS)与水之间的界面,重点关注水渗透如何改变PEDOT:PSS的形态。我们在富含PEDOT和富含PSS的相中构建了平衡良好的PEDOT:PSS - 水体系。我们的研究结果表明,水通过复杂的水通道网络渗透到聚合物中,这些水通道在富含PEDOT和富含PSS的相中呈现出相似的孔径分布,导致这两个相中吸水量相似。与聚合物的干燥状态相比,水的渗透导致形成更小、排列更无序且间距更远的片晶微晶,这可能导致电导率降低。因此,我们认为从聚合物的干燥状态到湿润状态的这些结构变化可能是在水中的PEDOT:PSS或PEDOT:PSS水凝胶中实验观察到的显著电导率降低的原因。

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本文引用的文献

1
Advancements in tailoring PEDOT: PSS properties for bioelectronic applications: A comprehensive review.用于生物电子应用的聚(3,4-乙烯二氧噻吩):聚(苯乙烯磺酸)性能定制的研究进展:全面综述。
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3
The Influence of Titanium Oxide Nanoparticles and UV Radiation on the Electrical Properties of PEDOT:PSS-Coated Cotton Fabrics.
二氧化钛纳米颗粒和紫外线辐射对聚(3,4-乙撑二氧噻吩):聚苯乙烯磺酸盐涂层棉织物电学性能的影响
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4
Molecular dynamics simulation of an entire cell.整个细胞的分子动力学模拟。
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5
Gradual Morphological Change in PEDOT:PSS Thin Films Immersed in an Aqueous Solution.浸入水溶液中的聚(3,4-乙撑二氧噻吩):聚苯乙烯磺酸盐(PEDOT:PSS)薄膜的渐进形态变化
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6
Morphology of conducting polymer blends at the interface of conducting and insulating phases: insight from PEDOT:PSS atomistic simulations.导电聚合物共混物在导电相和绝缘相界面处的形态:来自PEDOT:PSS原子模拟的见解。
J Mater Chem C Mater. 2022 Oct 3;10(42):16126-16137. doi: 10.1039/d2tc03158b. eCollection 2022 Nov 3.
7
Why does solvent treatment increase the conductivity of PEDOT : PSS? Insight from molecular dynamics simulations.为什么溶剂处理会增加 PEDOT: PSS 的电导率?分子动力学模拟的见解。
Phys Chem Chem Phys. 2022 Sep 21;24(36):22073-22082. doi: 10.1039/d2cp02655d.
8
Anion Size Effect of Ionic Liquids in Tuning the Thermoelectric and Mechanical Properties of PEDOT:PSS Films through a Counterion Exchange Strategy.离子液体通过抗衡离子交换策略调控PEDOT:PSS薄膜热电和力学性能中的阴离子尺寸效应
ACS Appl Mater Interfaces. 2022 Jun 22;14(24):27911-27921. doi: 10.1021/acsami.2c05591. Epub 2022 Jun 7.
9
Efficient Electronic Tunneling Governs Transport in Conducting Polymer-Insulator Blends.高效电子隧穿控制导电聚合物-绝缘体混合物中的输运。
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10
Hard-Cation-Soft-Anion Ionic Liquids for PEDOT:PSS Treatment.用于 PEDOT:PSS 处理的硬阳离子-软阴离子离子液体。
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