Evaluation of the excited state dynamics, photophysical properties, and the influence of donor substitution in a donor--acceptor system
There have been numerous attempts for the theoretical design of a better donor-π π-
acceptor structural framework with improved absorption and emission properties. However …
acceptor structural framework with improved absorption and emission properties. However …
Electronic and optical properties' tuning of phenoxazine-based D-A2-π-A1 organic dyes for dye-sensitized solar cells. DFT/TDDFT investigations
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 …
sensitizers with competing electronic and optical properties for dye sensitized solar cells …
Quantum study on the optoelectronic properties and chemical reactivity of phenoxazine-based organic photosensitizer for solar cell purposes
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 …
a sustainable source of energy. However, dye sensitized solar cell (DSSC) has been found …
Synthesis and design of carbazole-based organic sensitizers for DSSCs applications: experimental and theoretical approaches
The synthesis of two new organic photosensitizers has included furan core as a pi-spacer,
ethyl carbazole as a donor, and cyanoacetic acid and cyanoacetohydrazide as acceptors …
ethyl carbazole as a donor, and cyanoacetic acid and cyanoacetohydrazide as acceptors …
Band gap engineering of 9, 10-(bis-4-phenylazenyl) anthracene for application in dye sensitized solar cells
The rational design of dyes for Dye-sensitized solar cells (DSSC) is challenging not only
because the dye should absorb in the visible region but also have a favorable alignment …
because the dye should absorb in the visible region but also have a favorable alignment …
Design and theoretical study of phenothiazine-based low bandgap dye derivatives as sensitizers in molecular photovoltaics
Modulation of metal free organic (MFO) molecules become imperative to researchers to
obtain low-cost sensitizer for dye sensitized solar cells (DSSCs) purposes. A series of metal …
obtain low-cost sensitizer for dye sensitized solar cells (DSSCs) purposes. A series of metal …
[PDF][PDF] New organic dyes with low bandgap based on heterocyclic compounds for dye-sensitized solar cells applications
In this paper, a theoretical study has been carried out. This study concerns four organic dyes
with structure D–π–A on the base of triphenylamine; we choose thiophene and thieno [3, 4 …
with structure D–π–A on the base of triphenylamine; we choose thiophene and thieno [3, 4 …
The influence of metal-free thiophene spacer chain on optoelectronic analysis by TD-DFT method for efficient dye-sensitized solar cells with enhanced non-linear …
A Ammasi, XH Ju - Journal of Physics and Chemistry of Solids, 2024 - Elsevier
The pyrene group in conjugation with the thiophene moiety was used to design new organic
molecules for the dye-sensitized solar cells (DSSCs) along with non-linear optical (NLO) …
molecules for the dye-sensitized solar cells (DSSCs) along with non-linear optical (NLO) …
[PDF][PDF] Molecular modeling insights into bioactivities of Head-to-tail cyclic peptides: potential sedoheptulose-7-Phosphate isomerase inhibitors
AK Oyebamiji, SA Akintelu, B Semire… - Advanced Journal of …, 2024 - sid.ir
Burkholderia pseudomallei is the Gram-negative bacterium that cause infection termed
“Melioidosis”[ 1, 2]. It widely dominates soil as well as water surface and could easily be …
“Melioidosis”[ 1, 2]. It widely dominates soil as well as water surface and could easily be …
DFT and TD-DFT study of substituent effects on structure, spectroscopic and photoelectric characteristics of DA dyes for solar cells
J Han, T Liu, J Li, P Song, Y Li - Materials Science in Semiconductor …, 2024 - Elsevier
To study the structure, photophysical and photoelectric properties of chlorophyll derivatives,
the chlorophyll derivative dyes (CHL-1 and CHL-6) were investigated to exploit their utility in …
the chlorophyll derivative dyes (CHL-1 and CHL-6) were investigated to exploit their utility in …