Influence of Doping on Electrical and Optical Properties of Conductive Polypyrrole-Co-Poly(pyrrole-3-Carboxylic Acid) Copolymer

IF 2.2 3区化学 Q3 CHEMISTRY, PHYSICAL

Chemphyschem Pub Date : 2025-08-06 DOI:10.1002/cphc.202401151

Adam Mizera, Paweł Ławniczak, Alina T. Dubis, Karolina H. Markiewicz, Andrzej Łapiński

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Abstract

The spectroscopic, thermal, and electrical properties of polypyrrole-co-poly(pyrrole-3-carboxylic acid) doped with p-TSA (p-toluenesulfonate) and AQS (anthraquinone sulfonate) are investigated. The semiconductor-like electrical characteristics of the systems are demonstrated by the variation in electrical conductivity as a function of temperature. The properties of conductivity and dielectricity are investigated. The investigated copolymers demonstrate 3D conductivity and a constant carrier density near the Fermi energy. Polarons and bipolarons are charge carriers, as indicated by IR and Raman spectra. The number of charge carriers is increased by doping the polypyrrole-co-poly(pyrrole-3-carboxylic acid) copolymer. The molecular structure of the ionized oligomer and the doped ones is analyzed using the density functional theory (DFT) methods. The time-dependent density functional theory methods are employed to analyze the electron transitions of the copolymers under investigation.

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掺杂对导电聚吡咯-共聚吡咯-3-羧酸共聚物电学性能的影响

研究了掺杂对甲苯磺酸和蒽醌磺酸的聚吡咯-共聚吡咯-3-羧酸的光谱、热学和电学性能。系统的半导体样电特性通过电导率随温度的变化来证明。研究了其电导率和介电性。所研究的共聚物具有三维导电性和恒定的载流子密度，接近费米能量。红外光谱和拉曼光谱表明，极化子和双极化子是载流子。通过掺杂聚吡咯-共聚吡咯-3-羧酸共聚物，增加了载流子的数量。利用密度泛函理论（DFT）方法分析了离子化低聚物和掺杂低聚物的分子结构。采用时变密度泛函理论方法对所研究共聚物的电子跃迁进行了分析。

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来源期刊

Chemphyschem 化学-物理：原子、分子和化学物理

CiteScore

4.60

自引率

3.40%

发文量

425

审稿时长

1.1 months

期刊介绍： ChemPhysChem is one of the leading chemistry/physics interdisciplinary journals (ISI Impact Factor 2018: 3.077) for physical chemistry and chemical physics. It is published on behalf of Chemistry Europe, an association of 16 European chemical societies. ChemPhysChem is an international source for important primary and critical secondary information across the whole field of physical chemistry and chemical physics. It integrates this wide and flourishing field ranging from Solid State and Soft-Matter Research, Electro- and Photochemistry, Femtochemistry and Nanotechnology, Complex Systems, Single-Molecule Research, Clusters and Colloids, Catalysis and Surface Science, Biophysics and Physical Biochemistry, Atmospheric and Environmental Chemistry, and many more topics. ChemPhysChem is peer-reviewed.