Theoretical designing of symmetrical non-fullerene acceptor molecules by end-capped modification for promising photovoltaic properties of organic solar cells

M Ishtiaq, M Waqas, H Zubair, RF Mehmood… - Journal of Molecular …, 2023 - Elsevier
Non-fullerene small molecules must absorb in a broader wavelength range for achieving
high efficiencies. This work presents seven indacenodithiophene core-based acceptor …

Theoretical design of new carbazole based organic dyes for DSSCs applications. A DFT/TD-DFT insight

O Britel, A Fitri, AT Benjelloun, A Slimi… - … of Photochemistry and …, 2022 - Elsevier
New series of organic dyes M i (i= 2–10) derived from M 1 have been investigated by using
density functional theory (DFT) and time-dependent density functional theory (TD-DFT) …

How graphene strengthened molecular photoelectric performance of solar cells: A photo current-voltage assessment

D Zhao, RM Saputra, P Song, Y Yang, Y Li - Solar Energy, 2021 - Elsevier
A comprehensive prediction for molecular power conversion efficiency and designing novel
sensitizers are effective strategies for preparing highly efficient dye-sensitized solar cell …

Improving the efficiency of dye-sensitized solar cells based on BODIPY dye and its analogous: The synergistic effect of benzo fusion and phenyl substitution

A Mohajeri, T Kheshti - Journal of Photochemistry and Photobiology A …, 2023 - Elsevier
The facile structural modification and excellent photophysical properties of boron-
dipyrromethene (BODIPY) make them potential photosensitizers in dye-sensitized solar cells …

Influence of heteroatoms on the optoelectronic properties of triphenylamine-based dyes for DSSCs application: A computational approach

P Kirenga, SL Mkoma, S Mlowe, Y Msambwa… - Computational and …, 2022 - Elsevier
A series of sensitizers with D-π-π-A architectural framework have been fine-tuned through a
variation of heteroatoms (NH, O, Se, and Te) in the π-spacers. Cyanoacrylic acid and …

Theoretical studies, anticancer activity, and photovoltaic performance of newly synthesized carbazole-based dyes

MR Elmorsy, E Abdel-Latif, HE Gaffer… - Journal of Molecular …, 2022 - Elsevier
We have synthesized a new class of carbazole-based cyanoacetanilides (5a-c) and
carbazole based-thiazolidine derivatives (7a and 7b). These compounds were prepared …

Triphenylamine-based DA-π-A dyes for DSSC applications: Theoretical study on the impact of auxiliary acceptor groups and π-bridges on photovoltaic performance …

M Ouachekradi, M Elkabous, Y Karzazi - Journal of Photochemistry and …, 2025 - Elsevier
In this study, a series of eight DA i-π iA organic dyes designed by chemically modifying a
previously synthesized D-π-A-type organic dye, called DPA-azo-A (R), were examined to …

Optical absorption spectroscopy and electronic properties of DA dyes and chlorophyll derivatives for co-sensitization in DSSCs

J Han, P Song, F Ma, Y Li - Spectrochimica Acta Part A: Molecular and …, 2025 - Elsevier
The photophysical and photochemical processes of the experimental dyes ZS11 and ZS12
containing phenyl-cyanoacrylic acid (PCA) and ethynyl-PCA (EPCA) group were studied by …

A computational investigation of the influence of acceptor moieties on photovoltaic performances and adsorption onto the TiO2 surface in triphenylamine-based dyes …

S Mandal, GR Kandregula, VNB Tokala - Journal of Photochemistry and …, 2020 - Elsevier
Five metal-free organic dyes (A1 to A5) comprising triphenylamine and vinyl-thiophene as a
common donor and spacer, respectively were considered in this work. The different …

Control and regulation of the performance of fullerene-based dye-sensitized solar cells with a D–D–A structure by external electric fields

X Wang, C Shen, J Li, M Zhang, P Song - Nanoscale Advances, 2023 - pubs.rsc.org
We investigated the modulating effect of an electric field (Fext) on the photovoltaic properties
of triphenylamine-based sensitizers with a D–D–A structure and compared the photovoltaic …