Syntheses, DFT studies and comparatively photovoltaic applications of some pyrene-imine hybrid derivatives

M Erdoğan, A Yeşildağ, H Medetalibeyoğlu, S Horoz - Optical Materials, 2023 - Elsevier
Abstract In this study,(E)-N-phenyl-1 (pyren-1yl) methanimine (3) and a isomeric mixture of
5ZZ and 5EE (1, 4-phenylenebis (1-(pyren-1-yl) methanimine) were synthesized by …

[HTML][HTML] New organic dyes based on phenylenevinylene for solar cells: DFT and TD-DFT investigation

M Bourass, A Amine, M Hamidi, M Bouachrine - … International Journal of …, 2017 - Elsevier
In this work, we report five novel organic dyes with donor–π–acceptor (D–π–A) structure,
their conjugated bridge is based on phenylenevinylene and thiophene/furan, the acid 2 …

Synthesis of benzidine-based conjugated organic materials bearing donor-acceptor groups: DFT studies and photovoltaic applications

A Yeşildağ, M Erdoğan, H Medetalibeyoğlu… - Journal of Molecular …, 2022 - Elsevier
Herein, tetraethoxymethyl, diphenyl, and dipyrenyl units have been fused with biphenyl
group, via diimine bond, resulting in 3 (2 novel) benzidine derivatives 2, 4a-b. The …

Novel D-π-A phenothiazine and dibenzofuran organic dyes with simple structures for efficient dye-sensitized solar cells

K Periyasamy, P Sakthivel, P Vennila… - … of Photochemistry and …, 2021 - Elsevier
Synthesis of organic molecules is imperative for users to gain a low-cost sensitizer for the
purpose of dye-sensitized solar cells (DSSCs). Phenothiazine and Dibenzofuran based …

New organic materials based on D–π–A structure for application in dye-sensitized solar cells

H Sadki, M Bourass, MN Bennani… - Research on Chemical …, 2018 - Springer
We used density functional theory at B3LYP level with 6-31G (d, p) basis set for all atoms to
study the electrochemical, photovoltaic, and absorption properties of four new organic π …

A theoretical investigation of decorated novel triazoles as DSSCs in PV devices

LCC Coetzee, AS Adeyinka, N Magwa - Journal of Molecular Modeling, 2021 - Springer
Abstract Some novel metal-free 1, 2, 4-triazole compounds A1-A8, based on the 3, 5-bis (2-
hydroxyphenyl)-1, 2, 4-triazole derivatives were examined for photovoltaic properties using …

[HTML][HTML] Optoelectronic properties of triphenylamine based dyes for solar cell applications. A DFT study

ZME Fahim, SM Bouzzine, MM Hamidi, M Bouachrine… - Química …, 2018 - SciELO Brasil
Dye-sensitized solar cells (DSSCs) based on triphenylamine (TPA) as a donor group linked
with the acceptor cyanoacrylic acid electron acceptor by 2, 2'-bithiophene as π-bridged (D-π …

Investigations of the bridged thiophene derivative effect on the performance of N, N-diethylaniline-based compounds for organic photovoltaic cells

ZME Fahim, MM Hamidi… - … Electronic Journal of …, 2018 - trilhasdahistoria.ufms.br
In this work, we study eight novel organic donor–π–acceptor dyes (Pi (i= 1-8)), used for dye
sensitized solar cells (DSSCs). The designed dyes are differentiated by the nature of the π …

[PDF][PDF] The computational study of the electronic and optoelectronics properties of new materials based on thienopyrazine for application in dye solar cells

M Bourass, AT Benjelloun, M Benzakour… - Journal of Materials …, 2016 - academia.edu
To understand the importance of the organic material of type donor-π-acceptor dyes (D-π-A),
used for dyesensitized solar cells (DSSCs), we present in this paper the result of six …

Computational analysis of the structural, optoelectronic and photovoltaic properties of triphenylamine-based dyes and their interaction with TiO2 / Iodine

M Lazrak, H Toufik, S Ennehary, SM Bouzzine… - Research on Chemical …, 2023 - Springer
In this work, six molecules M1-M6, with the donor—π-spacer—acceptor structure, based on
triphenylamine have been purposely studied to be applied in π-type dye-sensitized solar …