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<p>Polyaniline (PANI)–TiO₂ hybrid nanocomposites containing various weight% (A1 = 4.5 wt%, A2 = 18 wt% and A3 = 34 wt%) of anatase TiO<sub>2</sub> nanoparticles were synthesized and systematically investigated to elucidate the role of interfacial interactions on their structural and electrochemical properties. Morphological characterization revealed uniform dispersion of TiO₂ nanoparticles within the PANI matrix, which correlates with improved structural stability. FTIR and Raman spectroscopic analyses confirmed the presence of interfacial NH···O–Ti interactions, indicating the formation of inorganic–organic hybrid structures rather than simple physical mixtures. Density Functional Theory calculations further supported electron delocalization at the PANI–TiO₂ interface, providing insight into the nature of these interactions at the molecular level. Electrochemical measurements demonstrated enhanced charge transfer and conductivity in the hybrid system, suggesting a direct relationship between interfacial interactions and functional performance. This comprehensive study establishes a clear structure–property relationship in PANI–TiO₂ hybrid materials and emphasizes the significance of interfacial engineering for the design of advanced inorganic–organic polymer composites. The findings are relevant for potential applications of similar composites in supercapacitors, sensors, and other electronic devices.</p>

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Understanding the Role of Interfacial PANI–TiO₂ Interactions: A Combined Theoretical, Spectroscopic, and Electrochemical Study

  • 期刊论文

  • 发表日期：

    2026年3月31日

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  • Bojana Kuzmanović,
  • Nenad Ivanović,
  • Katarina Batalović,
  • Nikola Novaković,
  • Danica Bajuk-Bogdanović,
  • Ivana Radisavljević,
  • Milica Vujković

摘要

Polyaniline (PANI)–TiO₂ hybrid nanocomposites containing various weight% (A1 = 4.5 wt%, A2 = 18 wt% and A3 = 34 wt%) of anatase TiO2 nanoparticles were synthesized and systematically investigated to elucidate the role of interfacial interactions on their structural and electrochemical properties. Morphological characterization revealed uniform dispersion of TiO₂ nanoparticles within the PANI matrix, which correlates with improved structural stability. FTIR and Raman spectroscopic analyses confirmed the presence of interfacial NH···O–Ti interactions, indicating the formation of inorganic–organic hybrid structures rather than simple physical mixtures. Density Functional Theory calculations further supported electron delocalization at the PANI–TiO₂ interface, providing insight into the nature of these interactions at the molecular level. Electrochemical measurements demonstrated enhanced charge transfer and conductivity in the hybrid system, suggesting a direct relationship between interfacial interactions and functional performance. This comprehensive study establishes a clear structure–property relationship in PANI–TiO₂ hybrid materials and emphasizes the significance of interfacial engineering for the design of advanced inorganic–organic polymer composites. The findings are relevant for potential applications of similar composites in supercapacitors, sensors, and other electronic devices.