In this study, we
investigated the potential of palladium tetrakis
(imidazole) phthalocyanine (PdPc(Imz)
4
) for use as an organic
semiconductor for improving the photovoltaic performance. In order
to get more information about the prevailing model of the conduction
mechanism (correlated barrier hopping (CBH)) for PdPc(Imz)
4
, electrical impedance measurements were performed at different temperatures
and the obtained data were simulated by the Kohlraush Williams Watt
(KWW) approach. Theoretical studies (density functional theory (DFT))
were performed and molecular electrostatic potential (MEP) maps were
also extracted to understand the relationship between the molecular
structures and the molecular electronic structure of PdPc(Imz)
4
and its semiconductor properties. Furthermore, studies on
the AC electrical process as a function of temperature highlighted
a hopping charge transport according to an equivalent electrical circuit
composed of a parallel constant-phase element (CPE), capacitance in
the grain boundary layer (
C
g
), and resistance
of the grain boundary (
R
g
). To improve
interpretation of the results, an in-depth analysis of the behavior
of the electric transport was conducted. As a result, the correlated
barrier hopping (CBH) conduction mechanism was shown to be the most
suitable predominant conduction mechanism.