Chemical Synthesis, Electronic Study, and Vibrational Analysis of a New Organic Copolymer Based on PVK and 3-nhexylthiophene

Abstract

Conjugated polymers containing carbazole moieties either in the main or in the side chains have attracted much attention because of their unique electronic properties, to their high photoluminescence quantum efficiency, and thermal stability. The aim of this work is to study a new organic copolymer which combines the PVK properties and those of PHT. We will describe in this study the protocol synthesis, the chemical structure, and the electronic and vibrational properties of the resulting copolymer. The experimental and theoretical studies are combined in order to describe the properties of this material. These properties suggest this compound (PVK-PHT) to be a good candidate for optoelectronic application.

DFT and TD-DFT studies for optoelectronic properties of coumarin based donor-π-acceptor (D-π-A) dyes: applications in dye-sensitized solar cells (DSSCS)

“…Another parameter determining the stability of the molecule is the dihedral angle. The greater the dihedral angle, the steric impediment between donor and spacer is apparent [ 38 ]. The greater dihedral angle value will result in more distortion; hence, the molecule becomes unstable, resulting in decreased dye aggregation.…”

“…According to the results, D4-CM-A4 has a lower value of the dihedral angle. This indicates the smaller conjugation effect compared to other compounds where coplanarity is observed—these molecules allowing exhibiting the formation of π- stacked aggregation efficiently [ 38 ]. Therefore, the coplanar molecular structure enhances the electron transfer employing the conjugated connection between the donor and the electron acceptor.…”

“…Therefore, it is suggested to be good in the application of DSSCs. LHE and ΔG inject are two important factors that influence Jsc factor and the highest short circuit current density can be obtained if and only if the LHE is large [ 38 , 40 ].…”

Design and properties of new dendritic macromolecules substituted by several triarylamines for organic photovoltaic applications based on Carbazole and Thiophene

“…Among the most important factors for determining the physical properties of a π-conjugated molecule, in particular a polymer is the width of its band gap. Several means have been used to modulate this parameter namely the modi cation of the chemical structure by the insertion of charge transporters in the skeleton of the conjugated system [11]- [15].…”

Density functional theory [B3LYP/6‐311G(d,p)] study of a new copolymer based on carbazole and (3,4‐Ethylenedioxythiophene) in their aromatic and polaronic states

“…Materials that combine properties of these two polymers (PVK and PEDOT) 16,17 are attractive materials for a variety of applications in the electronic devices, such as light-emitting diodes (LED) and field-effect transistors (FET). [18][19][20][21][22] Generally, the electric properties of polymers PVK and PEDOT are strongly governed by the intramolecular delocalization of p electrons along the conjugation chain.…”