| DFT molecular modeling studies of D-π-A-π-D type cyclopentadithiophene-diketopyrrolopyrrole based small molecules donor materials for organic photovoltaic cells R Zaier, S Ayachi Optik 239, 166787, 2021 | 53 | 2021 |
| DFT and TD-DFT studies on the electronic and optical properties of linear π-conjugated cyclopentadithiophene (CPDT) dimer for efficient blue OLED R Zaier, S Hajaji, M Kozaki, S Ayachi Optical Materials 91, 108-114, 2019 | 36 | 2019 |
| In silico modelling of acceptor materials by End-capped and π-linker modifications for High-Performance organic solar Cells: Estimated PCE> 18% MY Mehboob, R Zaier, R Hussain, M Adnan, MMA Iqbal, Z Irshad, I Bilal, ... Computational and Theoretical Chemistry 1208, 113555, 2022 | 23 | 2022 |
| Optoelectronic properties of cyclopentadithiophene-based donor–acceptor copolymers as donors in bulk heterojunction organic solar cells: A theoretical study R Zaier, MP De La Cruz, FL De La Puente, S Ayachi Journal of Physics and Chemistry of Solids 145, 109532, 2020 | 19 | 2020 |
| Prediction of structural, vibrational and nonlinear optical properties of small organic conjugated molecules derived from pyridine R Zaier, F Mahdhaoui, S Ayachi, T Boubaker Journal of Molecular Structure 1182, 131-140, 2019 | 18 | 2019 |
| Difluorinated cyclopentadithiophene derivatives for green emitters in organic light-emitting diodes: A theoretical investigation S Hajaji, R Zaier, S Ayachi Journal of Physics and Chemistry of Solids 156, 110170, 2021 | 16 | 2021 |
| Toward designing new cyclopentadithiophene-naphthalene derivatives based small molecules for organic electronic applications: A theoretical investigation R Zaier, S Ayachi Materials Today Communications 27, 102370, 2021 | 16 | 2021 |
| New fluorescent material based on anthracene and triazole for blue organic light emitting diode: a combined experimental and theoretical study R Zaier, S Gharbi, K Hriz, M Majdoub, S Ayachi Journal of Molecular Liquids 345, 116984, 2022 | 14 | 2022 |
| SNAr reactions of substituted pyridines with secondary amines in aqueous solution: Kinetic and reactivity indices in density functional theory F Mahdhaoui, R Zaier, N Dhahri, S Ayachi, T Boubaker International Journal of Chemical Kinetics 51 (4), 249-257, 2019 | 10 | 2019 |
| Effect of Benzothiadiazole-Based π-Spacers on Fine-Tuning of Optoelectronic Properties of Oligothiophene-Core Donor Materials for Efficient Organic Solar Cells: A DFT Study R Zaier, A Martel, TJ Antosiewicz The Journal of Physical Chemistry A 127 (50), 10555-10569, 2023 | 6 | 2023 |
| Catalytic Enantioselective Allylboration and Related Reactions of Isatins Promoted by Chiral BINOLs: Scope and Mechanistic Studies J Braire, A Macé, R Zaier, M Cordier, J Vidal, C Lalli, A Martel, F Carreaux The Journal of Organic Chemistry 88 (3), 1469-1492, 2023 | 6 | 2023 |
| Designing new small molecules from cyclopentadithiophene (CPDT) derviatives for highly efficient blue emitters in OLEDs: DFT computational modeling R Zaier, S Hajaji, M Kozaki, S Ayachi J. Mater. Environ. Sci 10 (3), 195-207, 2019 | 5 | 2019 |
| The N-alkylation of 4-nitrobenzochalcogenadiazoles: Synthesis and theoretical approach SB Salah, R Zaier, S Ayachi, R Goumont, T Boubaker Journal of Molecular Structure 1197, 80-86, 2019 | 4 | 2019 |
| DFT Computational Modeling and Design of New Cyclopentadithiophene (CPDT) Derivatives for Highly Efficient Blue Emitters in OLEDs R Zaier, S Hajaji, M Kozaki, S Ayachi Polymers for Light‐Emitting Devices and Displays, 51-76, 2020 | 3 | 2020 |
| Designing Well-Organized Donor-Bridge-Acceptor Conjugated Systems Based on Cyclopentadithiophene as Donors in Bulk Heterojunction Organic Solar Cells: DFT-Based Modeling and … R Zaier, S Ayachi Solar Cells-Theory, Materials and Recent Advances, 2021 | 2 | 2021 |
| Influence of molecular structure on the coupling strength to a plasmonic nanoparticle and hot carrier generation R Zaier, M Bancerek, K Kluczyk-Korch, TJ Antosiewicz Nanoscale, 2024 | 1 | 2024 |
| Theoretical study on electro-optical properties of cyclopentadithiophene based material for OLED R Zaier, MP De La Cruz, FL De La Puente, M Kozaki, S Ayachi 2020 17th International Multi-Conference on Systems, Signals & Devices (SSD …, 2020 | 1 | 2020 |
| Allylboration of Ketones Catalyzed by BINOL Derivatives: Which Species Are Involved Depending on Substrate Reactivity? A Martel, R Zaier, J Braire, A Macé, J Vidal, C Lalli, F Carreaux The Journal of Organic Chemistry 89 (18), 13224-13234, 2024 | | 2024 |
| Computational Study on Optoelectronic Properties of Donor-Acceptor Type Small π-Conjugated Molecules for Organic Light-Emitting Diodes (OLEDs) and Nonlinear Optical (NLO … R Zaier, S Ayachi Density Functional Theory-Recent Advances, New Perspectives and Applications, 2021 | | 2021 |
| Photovoltaic investigation of CPDT based small molecule for BHJ OSC devices R Zaier, M Kozaki, S Ayachi 2021 18th International Multi-Conference on Systems, Signals & Devices (SSD …, 2021 | | 2021 |
