New small organic molecules based on thieno[2,3-b]indole for efficient bulk heterojunction organic solar cells: a computational study
Hachi, Mohamed, Slimi, Ahmed, Fitri, Asmae, ElKhattabi, Souad, Benjelloun, Adil Touimi, Benzakour, Mohammed, Mcharfi, Mohammed
Published in Molecular physics (17.04.2020)
Published in Molecular physics (17.04.2020)
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Journal Article
Designing and Theoretical Study of Dibenzocarbazole Derivatives Based Hole Transport Materials: Application for Perovskite Solar Cells
Etabti, Hanane, Fitri, Asmae, Benjelloun, Adil Touimi, Benzakour, Mohammed, Mcharfi, Mohammed
Published in Journal of fluorescence (01.05.2023)
Published in Journal of fluorescence (01.05.2023)
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Journal Article
A strategy to enhance VOC of π-conjugated molecules based on thieno[2,3-b] indole for applications in bulk heterojunction organic solar cells using DFT, TD-DFT, and 3D-QSPR modeling studies
Rahma El Mouhi, Daoui, Ossama, Asmae Fitri, Benjelloun, Adil Touimi, Souad El Khattabi, Benzakour, Mohammed, Mcharfi, Mohammed, Kurban, Mustafa
Published in New journal of chemistry (03.01.2023)
Published in New journal of chemistry (03.01.2023)
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Journal Article
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
Etabti, Hanane, Fitri, Asmae, Benjelloun, Adil Touimi, Hachi, Mohamed, Benzakour, Mohammed, Mcharfi, Mohammed
Published in Research on chemical intermediates (01.10.2021)
Published in Research on chemical intermediates (01.10.2021)
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Journal Article
Advancing optoelectronic performance of organic and perovskite photovoltaics: computational modeling of hole transport material based on end-capped dibenzocarbazole molecules
Etabti, Hanane, Fitri, Asmae, Benjelloun, Adil Touimi, Benzakour, Mohammed, Mcharfi, Mohammed
Published in Research on chemical intermediates (01.04.2024)
Published in Research on chemical intermediates (01.04.2024)
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Journal Article
Theoretical investigation by DFT and TDDFT the extension of π-conjugation of novel carbazole-based donor materials for bulk heterojunction organic solar cell applications
Britel, Omar, Fitri, Asmae, Benjelloun, Adil Touimi, Benzakour, Mohammed, Mcharfi, Mohammed
Published in Journal of molecular modeling (01.11.2022)
Published in Journal of molecular modeling (01.11.2022)
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Journal Article
New carbazole-based dyes for efficient dye-sensitized solar cells: a DFT insight
Britel, Omar, Fitri, Asmae, Benjelloun, Adil Touimi, Benzakour, Mohammed, Mcharfi, Mohammed
Published in Structural chemistry (01.10.2023)
Published in Structural chemistry (01.10.2023)
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Journal Article
Theoretical investigation of the effect of changing the auxiliary acceptor on the performance of organic D-A'-A dyes used as sensitizers in DSSCs
Bouzineb, Yassir, Fitri, Asmae, Benjelloun, Adil Touimi, Benzakour, Mohammed, Mcharfi, Mohammed, Bouachrine, Mohammed
Published in Journal of molecular modeling (01.12.2023)
Published in Journal of molecular modeling (01.12.2023)
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Journal Article
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
Britel, Omar, Etabti, Hanane, Fitri, Asmae, Benjelloun, Adil Touimi, Benzakour, Mohammed, Mcharfi, Mohammed
Published in Journal of molecular modeling (01.03.2024)
Published in Journal of molecular modeling (01.03.2024)
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Journal Article
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)
Sekkat, Yassir, Fitri, Asmae, Britel, Omar, Benjelloun, Adil Touimi, Benzakour, Mohammed, Mcharfi, Mohammed
Published in Journal of molecular modeling (01.01.2024)
Published in Journal of molecular modeling (01.01.2024)
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Journal Article
Adsorption studies of isoxazole derivatives as corrosion inhibitors for mild steel in 1M HCl solution: DFT studies and molecular dynamics simulation
Roua, Amal, Hassani, Anouar Ameziane El, Fitri, Asmae, Benjelloun, Adil Touimi, Benzakour, Mohammed, Mcharfi, Mohammed, Tanji, Karim
Published in Journal of molecular modeling (01.06.2024)
Published in Journal of molecular modeling (01.06.2024)
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Journal Article
Effects of additional π-spacers on the photovoltaic properties of organic dyes for efficient dye-sensitized solar cells: a theoretical study
Britel, Omar, Fitri, Asmae, Touimi Benjelloun, Adil, Benzakour, Mohammed, Mcharfi, Mohammed
Published in Research on chemical intermediates (01.12.2022)
Published in Research on chemical intermediates (01.12.2022)
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Journal Article
Computational Investigation of Conformational Properties of Short Azapeptides: Insights from DFT Study and NBO Analysis
El Khabchi, Mouna, Mcharfi, Mohammed, Benzakour, Mohammed, Fitri, Asmae, Benjelloun, Adil Touimi, Song, Jong-Won, Lee, Kang-Bong, Lee, Ho-Jin
Published in Molecules (Basel, Switzerland) (17.07.2023)
Published in Molecules (Basel, Switzerland) (17.07.2023)
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Journal Article
Coumarin-based D–π–A dyes for efficient DSSCs: DFT and TD-DFT study of the π-spacers influence on photovoltaic properties
Souilah, Mohammed, Hachi, Mohamed, Fitri, Asmae, Benjelloun, Adil Touimi, El Khattabi, Souad, Benzakour, Mohammed, Mcharfi, Mohammed, Zgou, Hsaine
Published in Research on chemical intermediates (01.02.2021)
Published in Research on chemical intermediates (01.02.2021)
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Journal Article
Effects of the terminal donor unit on the photovoltaic parameters of benzocarbazole-based dyes for DSSCs: DFT/TD-DFT investigations
Etabti, Hanane, Fitri, Asmae, Touimi Benjelloun, Adil, Benzakour, Mohammed, Mcharfi, Mohammed
Published in E3S Web of Conferences (01.01.2022)
Published in E3S Web of Conferences (01.01.2022)
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Journal Article
Conference Proceeding
Conformational preferences of Ac-Pro-azaXaa-NHMe (Xaa = Asn, Asp, Ala) and the effect of intramolecular hydrogen bonds on their stability in gas phase and solution
El Khabchi, Mouna, Lahlou, Hiba, El Adnani, Zineb, Mcharfi, Mohammed, Benzakour, Mohammed, Fitri, Asmae, Benjelloun, Adil Touimi
Published in Journal of molecular modeling (01.12.2021)
Published in Journal of molecular modeling (01.12.2021)
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Journal Article
DFT and TD-DFT calculations on thieno[2,3-b]indole-based compounds for application in organic bulk heterojunction (BHJ) solar cells
El Mouhi, Rahma, El Khattabi, Souad, Hachi, Mohamed, Fitri, Asmae, Benjelloun, Adil Touimi, Benzakour, Mohammed, Mcharfi, Mohammed, Bouachrine, Mohammed
Published in Research on chemical intermediates (15.03.2019)
Published in Research on chemical intermediates (15.03.2019)
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Journal Article
Computational study of new pyranylidene-based D-π-A-A dyes: Effect of the change of the auxiliary acceptor
Bouzineb, Yassir, Fitri, Asmae, Touimi Benjelloun, Adil, Benzakour, Mohammed, Mcharfi, Mohammed, Bouachrine, Mohammed
Published in E3S web of conferences (01.01.2023)
Published in E3S web of conferences (01.01.2023)
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Journal Article
Theoretical design of new carbazole based organic dyes for DSSCs applications. A DFT/TD-DFT insight
Britel, Omar, Fitri, Asmae, Touimi Benjelloun, Adil, Slimi, Ahmed, Benzakour, Mohammed, Mcharfi, Mohammed
Published in Journal of photochemistry and photobiology. A, Chemistry. (01.08.2022)
Published in Journal of photochemistry and photobiology. A, Chemistry. (01.08.2022)
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Journal Article
Theoretical investigation of the influence of π-spacer on photovoltaic performances in carbazole-based dyes for dye-sensitized solar cells applications
Britel, Omar, Fitri, Asmae, Benjelloun, Adil Touimi, Slimi, Ahmed, Benzakour, Mohammed, Mcharfi, Mohammed
Published in Journal of photochemistry and photobiology. A, Chemistry. (01.06.2022)
Published in Journal of photochemistry and photobiology. A, Chemistry. (01.06.2022)
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Journal Article