Poly(aniline-co-pyrrole)@functionalized Fe₃O₄ (PACP@f-Fe₃O₄) nanocomposites were prepared by a two-step method. In the first step, the Fe₃O₄-OH and Fe₃O₄-NH₂ nanoparticles were synthesized by the solvothermal and co-precipitation techniques, respectively. In the second step, the PACP@f-Fe₃O₄ nanocomposites were synthesized by an in-situ microemulsion polymerization technique. The synthesized materials were characterized by Fourier transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), and thermogravimetric analysis (TGA). Based on the SEM, the iron oxide changed the morphology of the PACP copolymer from being completely nanospheres. The TGA showed the higher thermal stability of the PACP@Fe₃O₄-OH nanocomposite in comparison to the PACP@Fe₃O₄-NH₂, and the density functional theory (DFT) successfully confirmed this fact by calculating the binding energies between the PACP copolymer and functionalized nanoparticles. Also, the HOMO−LUMO energy gap (E_g$E_g$) values were determined by the DFT to investigate the electrical conductivities, which are in accord with the experimental electrical conductivities in the order PACP@Fe₃O₄-OH> PACP@Fe₃O₄-NH₂> PACP.

通过两步法制备了聚苯胺-共吡咯官能化的Fe ₃ O ₄（PACP f- Fe ₃ O ₄）纳米复合材料。第一步，分别通过溶剂热和共沉淀技术合成了Fe ₃ O ₄ -OH和Fe ₃ O ₄ -NH ₂纳米颗粒。第二步，PACP @ f- Fe ₃ O ₄纳米复合材料是通过原位微乳液聚合技术合成的。合成的材料通过傅里叶变换红外（FTIR）光谱，X射线衍射（XRD），扫描电子显微镜（SEM）和热重分析（TGA）进行表征。基于SEM，氧化铁从完全纳米球改变了PACP共聚物的形态。TGA与PACP @ Fe ₃ O ₄ -NH ₂相比，PACP @ Fe ₃ O ₄ -OH纳米复合材料具有更高的热稳定性，并且密度泛函理论（DFT）通过计算两者之间的结合能成功地证实了这一事实。 PACP共聚物和功能化的纳米粒子。另外，HOMO-LUMO能隙（Ë _{g ^}$E_G$值由DFT确定，以研究电导率，该电导率与实验电导率一致，顺序为PACP @ Fe ₃ O ₄ -OH> PACP @ Fe ₃ O ₄ -NH ₂ > PACP。