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<p>This study aimed to investigate the influence of side-chain size on the optical and charge-transport properties of thin films fabricated from novel conjugated poly(arylene sulfide)s. Two polymers, denoted P1 and P2, were synthesized from polysulfide derivatives incorporating different arylene units, namely distyrylbiphenyl (P1) and distyrylbithiophene (P2). Optical properties were examined using UV–visible absorption and photoluminescence (PL) spectroscopy, revealing optical band gaps of 2.93&#xa0;eV and 3.05&#xa0;eV, with P1 exhibiting blue-green emission and P2 showing a red-shifted response. Cyclic voltammetry was employed to determine the electrochemical band gaps as well as the HOMO and LUMO energy levels, confirming p-type semiconducting behavior for both polymers. The electrical characteristics of diodes with an ITO/polymers/Al architecture were investigated through current–voltage (I–V) measurements. Charge transport was analyzed using the space-charge-limited current (SCLC) model, revealing that the P1 thin-film layer exhibits higher charge-carrier mobility than P2. A comprehensive correlation between thin-film geometry and the resulting optical and electrical properties was established. Density functional theory (DFT) and time-dependent DFT (TDDFT) calculations support the experimental observations, demonstrating that the nature of the arylene substituent plays a crucial role in modulating conjugation length, frontier molecular orbitals, and optical transitions. Overall, the combined experimental and theoretical findings establish a clear structure–property–transport relationship, highlighting arylene side-chain engineering as an effective strategy for tuning the optoelectronic performance of polysulfide-based conjugated polymers.</p>

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Studying the electrical, optical, and electronic properties of novel conjugated poly(arylene sulfide)s in depth for advanced electronic applications: an experimental and theoretical method

  • 期刊论文

  • 发表日期：

    2026年2月18日

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  • Mehdi Akermi,
  • Nejmeddine Smida Jaballah,
  • Yahya Alajlani,
  • Rafik Ben Chaabane,
  • Mohammed M. Fadhali

摘要

This study aimed to investigate the influence of side-chain size on the optical and charge-transport properties of thin films fabricated from novel conjugated poly(arylene sulfide)s. Two polymers, denoted P1 and P2, were synthesized from polysulfide derivatives incorporating different arylene units, namely distyrylbiphenyl (P1) and distyrylbithiophene (P2). Optical properties were examined using UV–visible absorption and photoluminescence (PL) spectroscopy, revealing optical band gaps of 2.93 eV and 3.05 eV, with P1 exhibiting blue-green emission and P2 showing a red-shifted response. Cyclic voltammetry was employed to determine the electrochemical band gaps as well as the HOMO and LUMO energy levels, confirming p-type semiconducting behavior for both polymers. The electrical characteristics of diodes with an ITO/polymers/Al architecture were investigated through current–voltage (I–V) measurements. Charge transport was analyzed using the space-charge-limited current (SCLC) model, revealing that the P1 thin-film layer exhibits higher charge-carrier mobility than P2. A comprehensive correlation between thin-film geometry and the resulting optical and electrical properties was established. Density functional theory (DFT) and time-dependent DFT (TDDFT) calculations support the experimental observations, demonstrating that the nature of the arylene substituent plays a crucial role in modulating conjugation length, frontier molecular orbitals, and optical transitions. Overall, the combined experimental and theoretical findings establish a clear structure–property–transport relationship, highlighting arylene side-chain engineering as an effective strategy for tuning the optoelectronic performance of polysulfide-based conjugated polymers.