Tuning Structural, Dielectric Constants, Optoelectrical Parameters, and linear/nonlinear Optical Features of PVC/ZrO₂ Nanocomposite Films for Flexible Electronic Devices

This study seeks to investigate the influence of ZrO₂ nanoparticles (NPs) with varying concentrations (0, 0.5, 1.5, and 3 wt%) on the structural characteristics, surface/volume energy loss functions, dielectric constants, and linear/nonlinear optical features of PVC/ZrO₂ nanocomposite films. The ZrO₂ NPs were synthesized via the co-precipitation method, and the PVC/ZrO₂ nanocomposite films were assembled via the solution casting technique. EDX, FTIR, XRD, and SEM confirmed the structural, elemental composition, and morphology of PVC/ZrO₂ nanocomposites. The direct band gap (5.05–4.08 eV) and indirect band gap (4.39-3.54 eV) of PVC/ZrO₂ nanocomposites were reduced as the ZrO₂ content was increased. The band tail value of the PVC is 2.11 eV. As the ZrO₂ NPs concentrations increased from 0.5 wt% to 3wt.%, PVC/ZrO₂ nanocomposites exhibit an increase in Urbach energy to 2.29, 2.49, and 4.08 eV, respectively. As the content of ZrO₂ NPs was increased, the E₀ value ranged between 5.68 eV to 26.9 eV, whereas E_d increased (2.81–30.45 eV), and the lattice dielectric constant increased from 1.49 to 2.32 with increasing the ZrO₂ NPs. Adding the ZrO₂ NPs to PVC increases free carrier (N) values from 2.12 × 10¹⁹ cm^− 3 to 3.6 × 10²⁰ cm^− 3. Furthermore, as ZrO₂ NPs concentration increases, the oscillation frequency ω_p value ranges from 2.9 × 10¹⁴ to 5.6 × 10¹⁴ Hz. The increase in optical mobility (1.9 × 10^− 5 c.s.kg^− 1 to 24.1 × 10^− 5 c.s.kg^− 1) is remarkable. The optical resistivity, however, decreased from 0.0152 to 7.6 × 10^− 5 c^− 2.s^− 1.kg^− 1 with increasing ZrO₂ content. Furthermore, the nonlinear optical parameters were studied as a function of ZrO₂ content. In summary, the PVC/ZrO₂ nanocomposite films possess suitable characteristics such as linear/nonlinear optical properties, energy loss functions, and optical conductivity. These characteristics make them suitable for incorporation into flexible optoelectronic devices.