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) …

[HTML][HTML] Effective dyes for DSSCs–important experimental and calculated parameters

J Conradie - Energy Nexus, 2024 - Elsevier
This review article gives a short overview of the basic principle and criteria to evaluate the
performance of dye-sensitized solar cells. Experimental measurements such as the short …

Thiazolothiazole-containing conjugated polymer with electrochromism and electrofluorochromism-based dual performance for a flip-flop molecular logic gate

S Halder, S Pal, P Sivasakthi, PK Samanta… - …, 2023 - ACS Publications
Dual-performance devices based on electrochromism and electrofluorochromism have
recently gained much attention in display technology. However, getting electrochromism and …

Theoretical study of WS-9-based organic sensitizers for unusual Vis/NIR absorption and highly efficient dye-sensitized solar cells

M Li, L Kou, L Diao, Q Zhang, Z Li, Q Wu… - The Journal of …, 2015 - ACS Publications
Dye-sensitized solar cells (DSSCs) are the most promising low-cost photovoltaic devices.
Whereas, the absorption bands of most organic sensitizers, the most vital component in …

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) …

Quantum study on the optoelectronic properties and chemical reactivity of phenoxazine-based organic photosensitizer for solar cell purposes

SO Afolabi, B Semire, OK Akiode, MA Idowu - Theoretical Chemistry …, 2022 - Springer
Meeting the requirements and developments of modern society will be unachievable without
a sustainable source of energy. However, dye sensitized solar cell (DSSC) has been found …

[HTML][HTML] Electronic and optical properties' tuning of phenoxazine-based D-A2-π-A1 organic dyes for dye-sensitized solar cells. DFT/TDDFT investigations

SO Afolabi, B Semire, MA Idowu - Heliyon, 2021 - cell.com
Modulation of molecular features of metal free organic dyes is important to present
sensitizers with competing electronic and optical properties for dye sensitized solar cells …

Engineering S, N-doped carbon nanosheets derived from thiazolothiazole-based conjugated polymer for efficient electrocatalytic oxygen evolution and Zn-air battery

S Halder, AK Pradhan, P Sivasakthi, PK Samanta… - Materials Today …, 2023 - Elsevier
Electrochemical oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) by
using metal-free electrocatalysts is an emerging research interest for clean energy due to its …

Effects of electron acceptor groups on triphenylamine-based dyes for dye-sensitized solar cells: Theoretical investigation

A Slimi, M Hachi, A Fitri, AT Benjelloun… - … of Photochemistry and …, 2020 - Elsevier
Six novel D-π-A organic dyes based on 3D triphenylamine derivative (IDTTPA) featuring
indenothiophene unit have been designed and theoretically investigated using Density …

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 …