Description of the publication:


Iwan, A., Guimaraes, J.R., Santos, M.C.D., Schab–Balcerzak, E., Krompiec, M., Palewicz, M., Sikora, A.


Polyazomethine with vinylene and phenantridine moieties in the main chain: Synthesis, characterization, opto(electrical) properties and theoretical calculations


High Performance Polymers




24 (4)









current density–voltage characteristics; HOMO–LUMO; polyazomethines; theoretical calculations


The opto(electrical) properties and theoretical calculations of polyazomethine with vinylene and phenantridine moieties in the main chain were investigated in the present study. 2,5–Bis(hexyloxy)–1,4–bis[(2,5–bis(hexyloxy)– 4–formyl–phenylenevinylene]benzene was polymerized in solution with 3,8–diamino–6–phenylphenanthridine (PAZ–PV–Ph). The temperatures of 5% weight loss (T5%) of the polyazomethine was observed at 356 °C in nitrogen. Electrochemical properties of thin film of the polymer were studied by differential pulse voltammetry. The HOMO level of the PAZ–PV–Ph was at –4.97 eV. The energy band gap (Eg) was detected of approximately ~1.9 eV. Energy band gap (Eg opt) was additionally calculated from absorption spectrum and absorption coefficient α. The absorption UV–vis spectra of polyazomethine recorded in solution showed a blue shift in comparison with the solid state. HOMO–LUMO levels and Eg were additionally calculated theoretically by density functional theory and molecular simulations of PAZ–PV–Ph are presented. Current density–voltage (J–U) measurements were performed on ITO/PAZ–PV–Ph/Al, ITO/TiO2/PAZ–PV–Ph/Al and ITO/PEDOT/PAZ–PV–Ph:TiO2/Al devices in the dark and during irradiation with light (under illumination of 1000 W/m2). The polymer was tested using AFM technique and roughness (Ra, Rms) along with skew and kurtosis are presented.


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Example figure:

3D topography view of the PAZ-PV-Ph sample.