Perspective on the rational design strategies of quinoxaline derived organic sensitizers for dye-sensitized solar cells (DSSC)

G Yashwantrao, S Saha - Dyes and Pigments, 2022 - Elsevier
The incessant escalation of global energy consumption undeniably has led fossil fuel
reserves to their verge of depletion. So, the need for an unlimited source of energy has led …

Theoretical modelling of metal-based and metal-free dye sensitizers for efficient dye-sensitized solar cells: A review

W Wu, Y Li, J Zhang, X Guo, L Wang, H Ågren - Solar Energy, 2024 - Elsevier
Motivated by the great importance of fundamental research in finding new and improved
pathways to harvest energy from the sun, the present review provides an account of …

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) …

Molecular design and synthesis of acetohydrazonoyl cyanide structures as efficient dye-sensitized solar cells with enhancement of the performance of the standard N …

MR Elmorsy, SA Badawy, AYA Alzahrani, A El-Rayyes - Optical Materials, 2023 - Elsevier
Four novel acetohydrazonoyl cyanide compounds (5–8) with a triphenylamine moiety as an
electron donor for use in dye-sensitized solar cells (DSSCs) have been designed and …

A promising small-sized near-infrared absorbing zwitterionic dye for DSSC and NLO applications: DFT and TD-DFT approaches

SJ Sharma, N Sekar - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Herein we investigate three quinoid zwitterionic dye sensitizers having donor–donor (4-
dimethylaniline; ZIDM), donor–acceptor (4-dimethylaniline and 4-benzoic acid; ZIMCA), and …

Benzocarbazole-based D–Di–π–A dyes for DSSCs: DFT/TD-DFT study of influence of auxiliary donors on the performance of free dye and dye–TiO2 interface

H Etabti, A Fitri, AT Benjelloun, M Hachi… - Research on Chemical …, 2021 - Springer
A series of ten organic dyes Ai (i= 1–10) of type D–Di–π–A (i= 2–10) combining various
auxiliary donors (Di) with the same donor group (benzocarbazole), π-spacer (thiophene) …

Review effect of various types of dyes and structures in supporting performance of dye‐sensitized solar cell TiO2‐based nanocomposites

F Mujtahid, PL Gareso, B Armynah… - International Journal of …, 2022 - Wiley Online Library
The energy demand for supporting the activity of human life is increasing where fossil fuels
decreasing sharply every year and have an impact on increasing CO2 emissions in the …

DFT, DFTB and TD-DFT theoretical investigations of π-conjugated molecules based on thieno [2, 3-b] indole for dye-sensitized solar cell applications

R El Mouhi, A Slimi, A Fitri, AT Benjelloun… - Physica B: Condensed …, 2022 - Elsevier
In this study, the electrochemical, photovoltaic and absorption properties of the new
designed organic sensitizers dyes: Dye-1, Dye-2, Dye-3 and Dye-4 based on Dye-R, of D-π …

Theoretical design and characterization of D-A1-A based organic dyes for efficient DSSC by altering promising acceptor (A1) moiety

M Hachi, A Slimi, A Fitri, AT Benjelloun… - … of Photochemistry and …, 2021 - Elsevier
The electronic, optical and photovoltaic properties of dyes can be readily tuned by modifying
the structure. Herein, the thieno [2, 3-b] indole (Thi)-based molecules derived from dye NTU …

A strategy to enhance V OC of π-conjugated molecules based on thieno [2, 3-b] indole for applications in bulk heterojunction organic solar cells using DFT, TD-DFT …

R El Mouhi, O Daoui, A Fitri, AT Benjelloun… - New Journal of …, 2023 - pubs.rsc.org
Seven novel organic compounds BHJ-i (i= 1–7) based on carrying 8-alkyl-8H-thieno [2, 3-b]
indole as a donor, thiophene as a bridge and different acceptors were used for bulk …