Abstract
HCl-doped o-phenylene diamine and m-phenylene diamine P(o&mPDA) copolymer microstructure platelets were synthesized in a highly acidic medium, in the presence of sodium dodecyl sulphate surfactant using anhydrous ferric chloride as an oxidizing agent via oxidative polymerization method. In addition, the structure of P(o&mPDA) was examined by Fourier transform infrared (FTIR). Surface morphology has been studied by scanning electron microscope technique. P(o&mPDA)
TF
thin films were produced using the physical vapor deposition process at a low deposition rate with a chamber pressure of 5 × 10
−5
mbar and a thickness of 100 ± 2 nm. P(o&mPDA)
TF
thin films were studied by utilizing combined density-functional theory (DFT) theoretical methods, and experimental including FTIR spectrum, X-ray diffraction, and optical properties. The results specifically determine that
Δ
E
g
Opt
values are 2.55 eV and 2.29 eV for P(o&mPDA)
Sol
and P(o&mPDA)
TF
, respectively. Using the TD-DFT computations highest occupied molecular orbital and lowest unoccupied molecular orbital calculation for P(o&mPDA),
Δ
E
g
Opt
values are 2.39 eV. The heterojunction revealed photovoltaic action under 50 mW/cm
2
white light illumination, with a maximum open-circuit voltage (
V
oc
) of 1.37 V, a short-circuit current density
(J
sc
) of 12.75 mA/cm
2
, a fill factor (FF) of 56.72%, and a power conversion efficiency (
η
) of 7.93%.