Photophysical Properties of the PVK-MEH-PPV/PCBM Composite for Organic Solar Cells Application: Synthesis, Characterization and Computational Study

Abstract

The physical and chemical properties of a new organic composite including PVK-MEH-PPV bi-block copolymer and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) were recorded. The functionalization and the charge transfer that occurs between donor and acceptor were examined and computed. In fact, the stationary and time-resolved photoluminescence properties were used to examine the effect of the PCBM on the optical properties of the PVK-MEH-PPV matrix. The photoluminescence quenching accompanied by faster PL decay confirmed the charge transfer and interaction process. The electrical and optoelectronic properties and the charge carriers’ injection in the resulting composite were examined. The experimental conclusion was corroborated and confirmed by a calculation based on density functional theory (DFT). Hence, the combination of experimental and theoretical results indicated that the result composite can be applied as an active layer for organic solar cells.

Conception and Theoretical Study of a New Copolymer Based on MEH-PPV and P3HT: Enhancement of the Optoelectronic Properties for Organic Photovoltaic Cells

“…The structures of the basic homopolymers and their derived copolymers were modeled using the density functional theory (DFT) [ 14 , 15 ]. The geometric optimization was carried out using the functional hybrid B3LYP method [ 16 , 17 , 18 ] and the base set 6-31G (d, p) [ 19 ]. The vibrational and the electronic properties, such as HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular Orbital) energetic levels, were calculated by the same method.…”

Modeling of the photophysical and photovoltaic properties of an active layer based on the organic composite poly(2‐methoxy‐5‐(2‐ethyl‐hexyloxy)‐1,4‐phenylene‐vinylene) (MEH‐PPV)–poly(3‐hexylthiophene) (P3HT): (6,6)‐phenyl C61 butyric acid methyl ester (PCBM)

“…These polymers are mainly tested in organic electronics. For example, the study conducted by F. Abbassi and M. Mbarek's team examined the photophysical properties of PVK‐MEH‐PPV/PCBM composite [13]. Their results indicate the charge transfer process and the interaction between the molecules, which may implement their composite in the organic solar cells.…”

Organic Solar Cells Parameters Extraction and Characterization Techniques

“…For example, polymers like polyethylene terephthalate (PET) and polyethylene naphthalate (PEN) are used as a substrate due to their high flexibility, and transparency [ 12 ]. An example of polymers as active layer materials are PVK-MEHPPV:PCBM [ 13 ], and P3HT:PCBM, which has been under massive research in the past decade [ 14 ], additive or dopant material for active and hole transport layers morphology modifications in different types of solar cells [ 15 ]. Polymers are used as an interfacial layer also.…”