Cyclohexane-1, 3-dione derivatives as future therapeutic agents for NSCLC: QSAR modeling, in silico ADME-Tox properties, and structure-based drug designing …
The abnormal expression of the c-Met tyrosine kinase has been linked to the proliferation of
several human cancer cell lines, including non-small-cell lung cancer (NSCLC). In this …
several human cancer cell lines, including non-small-cell lung cancer (NSCLC). In this …
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) …
density functional theory (DFT) and time-dependent density functional theory (TD-DFT) …
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 …
Beyond SM315: a comprehensive analysis of power conversion efficiency in tailored donor–acceptor porphyrin sensitizers for DSSCs
H Kaur, N Goel - The Journal of Physical Chemistry C, 2024 - ACS Publications
A systematic investigation was conducted on a series of Zn-porphyrin sensitizers by carrying
out static and time-dependent density functional calculations to assess highly efficient …
out static and time-dependent density functional calculations to assess highly efficient …
DFT, DFTB and TD-DFT theoretical investigations of π-conjugated molecules based on thieno [2, 3-b] indole for dye-sensitized solar cell applications
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 …
designed organic sensitizers dyes: Dye-1, Dye-2, Dye-3 and Dye-4 based on Dye-R, of D-π …
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 …
indole as a donor, thiophene as a bridge and different acceptors were used for bulk …
Revealing the photoelectric performance and multistep electron transfer mechanism in DA-π-A dyes coupled with a chlorophyll derivative for co-sensitized solar cells
C Yang, T Liu, P Song, F Ma, Y Li - Journal of Molecular Liquids, 2022 - Elsevier
The photophysical, electrochemical and photovoltaic properties of the title sensitizers as
isolated monomers and co-sensitizers are systematically investigated for co-sensitized solar …
isolated monomers and co-sensitizers are systematically investigated for co-sensitized solar …
Metal-free and natural dye sensitized solar cells: Recent advancement and future perspectives
Currently, the predominant energy source utilized by humanity is fossil fuels. However, as
demand surges and supplies wane, identifying alternative sources of energy becomes …
demand surges and supplies wane, identifying alternative sources of energy becomes …
Carbazole based D-πi-π-A dyes for DSSC applications: DFT/TDDFT study of the influence of πi-spacers on the photovoltaic performance
O Britel, A Fitri, AT Benjelloun, M Benzakour, M Mcharfi - Chemical Physics, 2023 - Elsevier
In this study, we have designed a series of novel D-π i-π-A organic dyes with different π i-
spacers (D i, i= 2–8) for dye-sensitized solar cells (DSSC) based on the synthesized dye D 1 …
spacers (D i, i= 2–8) for dye-sensitized solar cells (DSSC) based on the synthesized dye D 1 …
Enhanced Photovoltaic Property and Panchromatic Photocatalytic by Forming D‐π‐A‐Bacteriochlorin Dyads: A Computational Investigation
C Yang, P Song, F Ma, Y Li - Solar RRL, 2023 - Wiley Online Library
The photovoltaic characteristics and panchromatic photocatalysis based on monomers and
bithiophene‐chlorophyll dyads is investigated. The optical properties and the electron …
bithiophene‐chlorophyll dyads is investigated. The optical properties and the electron …