Mohammed Mcharfi

Sidi Mohamed Ben Abdellah University — MA

Energy · Physical Sciences

26h-index2.0kcitations79works6.32yr avg
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Research Topics

TiO2 Photocatalysis and Solar Cells(24), Organic Electronics and Photovoltaics(21), Conducting polymers and applications(20), Quantum Dots Synthesis And Properties(19), Corrosion Behavior and Inhibition(14)

Publications79 total

Theoretical investigation of organic dyes for dye-sensitized solar cell applications: effect of auxiliary acceptor groups
Computational and Theoretical Chemistry·2025· 2 citedOpen Access
Spectroscopic and Piezoelectric Characterization of Group 12 Diatomic Species: A DFT and CCSD(T) Study
2025
Investigation of the influence of π-conjugated bridge on photovoltaic parameters in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si25.svg"> <mml:msub> <mml:mi mathvariant="normal">A</mml:mi> <mml:mn>2</mml:mn> </mml:msub> </mml:math> - <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si24.svg"> <mml:msub> <mml:mi mathvariant="normal">π</mml:mi> <mml:mn>2</mml:mn> </mml:msub> </mml:math> -D- <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si23.svg"> <mml:msub> <mml:mi mathvariant="normal">π</mml:mi> <mml:mn>1</mml:mn> </mml:msub> </mml:math> - <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si22.svg"> <mml:msub> <mml:mi mathvariant="normal">A</mml:mi> <mml:mn>1</mml:mn> </mml:msub> </mml:math> dye sensitizers for efficient DSSCs
Journal of Photochemistry and Photobiology A Chemistry·2025· 15 cited
Computational Analysis of Triazolone-Based Dyes in DSSCs: Exploring Acceptor Terminal for Enhanced Photovoltaic Performance
Journal of Fluorescence·2025· 13 cited
Density functional theory and molecular dynamics analysis of oxadiazole derivatives as corrosion inhibitors in hydrochloric acid media (HCl)
Reaction Kinetics Mechanisms and Catalysis·2025· 2 cited
The effect of the introduction of internal acceptor and the variation of π-spacer groups in carbazole-based organic dyes on the photovoltaic performance of dye-sensitized solar cells: a DFT study
Research on Chemical Intermediates·2024· 4 cited
Computational study of new small molecules D-A based on triphenylamines for bulk heterojunction solar cells (BHJ)
Computational and Theoretical Chemistry·2024· 4 cited
DFT/TDDFT Investigation of the Effect of Electron Acceptor Groups on Photovoltaic Performance Using Phenothiazine‐Based D‐Ai‐π‐A Dyes for DSSC Applications
ChemistrySelect·2024· 1 cited
Adsorption studies of isoxazole derivatives as corrosion inhibitors for mild steel in 1M HCl solution: DFT studies and molecular dynamics simulation
Journal of Molecular Modeling·2024· 9 cited
A DFT/TD-DFT Study of the Influence of Anchoring Group and Internal Acceptor of Benzocarbazole-based D-A´-π-A Dyes for DSSCs
International Journal of Computational and Theoretical Chemistry·2024· 10 citedOpen Access
Advancing optoelectronic performance of organic and perovskite photovoltaics: computational modeling of hole transport material based on end-capped dibenzocarbazole molecules
Research on Chemical Intermediates·2024· 23 cited
Adsorption studies of isoxazole derivatives as corrosion inhibitors for mild steel in 1M HCl solution: DFT studies and molecular dynamics simulation
Research Square (Research Square)·2024· 1 citedOpen Access
Computational studies of the influence of auxiliary acceptors in the D-A'-π-A structure of organic dyes on the photovoltaic performance of dye solar cells
Journal of Molecular Modeling·2024· 7 cited
The effect of structural modification of novel D-π-A-π-D molecules on their performance as donors in bulk heterojunction solar cells: Theoretical investigation
Computational and Theoretical Chemistry·2024· 3 cited
Computational Study of the Effect of Changing the Auxiliary Acceptor in D-A-π-A Structure Dyes on the Optoelectronic Properties of Dye-Sensitized Solar Cells (DSSCs)
Springer proceedings in energy·2024
A theoretical study on the role of the π-spacer in the thoughtful design of good light-absorbing dyes with phenothiazine for efficient dye-sensitized solar cells (DSSCs)
Journal of Molecular Modeling·2023· 8 cited
Theoretical investigation of the effect of changing the auxiliary acceptor on the performance of organic D-A'-A dyes used as sensitizers in DSSCs
Journal of Molecular Modeling·2023· 12 cited
Identification of terpenoids as potential inhibitors of SARS-CoV-2 (main protease) and spike (RBD) via computer-aided drug design
Journal of Biomolecular Structure and Dynamics·2023· 11 cited
Computational Investigation of Conformational Properties of Short Azapeptides: Insights from DFT Study and NBO Analysis
Molecules·2023· 1 citedOpen Access
Computational Investigation of Conformational Properties of Short Azapeptides: Insights from DFT Study and NBO Analysis
Preprints.org·2023· 1 citedOpen Access
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Frequent Co-authors

Mohammed Benzakour(45), Adil Touimi Benjelloun(44), Asmae Fitri(33), Mohammed Bouachrıne(15), M. Sfaira(10), Hanane Etabti(9), Ahmed Slimi(8), Mohamed Hachi(8), M. Ebn Touhamı(7), Omar Britel(7), Zineb El Adnani(6), Mohamed Bourass(5), Mohammed Hamidi(5), Souad Elkhattabi(5), B. Hammouti(5), Souad El Khattabi(4), M. Taleb(4), Si Mohamed Bouzzine(3), Françoise Serein‐Spirau(3), Jean‐Marc Sotiropoulos(3)