Impedance Spectroscopy and Dielectric Relaxation of Imidazole-Substituted Palladium(II) Phthalocyanine (ImPdPc) for Organic Solar Cells

Abstract

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.

Combined Experimental and Computational Study of V-Substituted Lindqvist Polyoxotungstate: Screening by Docking for Potential Antidiabetic Activity

“…The DOS near the band edges can also be used to estimate the mobility of charge carriers in a material. In summary, the DOS is a fundamental quantity in condensed matter physics and materials science that provides insights into the electronic properties of materials, and it is widely used in the design and optimization of electronic and optoelectronic devices …”

“…In summary, the DOS is a fundamental quantity in condensed matter physics and materials science that provides insights into the electronic properties of materials, and it is widely used in the design and optimization of electronic and optoelectronic devices. 41 Polyoxometalates (POMs) are complex molecular clusters composed of transition metal ions and oxide ions linked together by covalent bonds. The density of states (DOS) of polyoxometalates can be calculated using computational methods such as density functional theory (DFT) or ab initio methods.…”

Physical and Dielectric Properties of Ni-Doped In2S3 Powders for Optical Windows in Thin Film Solar Cells

“…Currently, much work is interested in electrical and dielectric properties of materials [ 30 , 31 , 32 ]. Nyquist plots are commonly used for characterizing electrical and dielectric properties of semiconductors’ materials [ 33 , 34 , 35 , 36 ], so we constructed Nyquist plots for our In 2 S 3 powder samples. Doping is one of the approaches used to minimize electrical resistivity [ 37 ]; therefore, to study the dopant effects on the dielectric behavior of the In 2 S 3 samples, we used impedance spectroscopy (IS).…”

Role of Crystal Structure on the Ionic Conduction and Electrical Properties of Germanate Compounds A2Cu3Ge4O12 (A = Na, K)

“…For n = 0, it becomes a pure resistor, whereas for n = 1, it corresponds to a pure capacitor. Similar equivalent circuit was conceived by several groups to explain the − Z″ vs Z′ plots for a variety of ceramic compounds. − …”