| Theoretical framework for achieving high V oc in non-fused non-fullerene terthiophene-based end-capped modified derivatives for potential applications in organic photovoltaics M Waqas, NMA Hadia, AM Shawky, RF Mahmood, M Essid, Z Aloui, ... RSC advances 13 (11), 7535-7553, 2023 | 37 | 2023 |
| Exploring the optoelectronic and third-order nonlinear optical susceptibility of cross-shaped molecules: insights from molecule to material level RA Shehzad, S Muhammad, J Iqbal, AG Al-Sehemi, M Yaseen, Z Aloui, ... Journal of Molecular Modeling 27, 1-10, 2021 | 36 | 2021 |
| End-group modification of terminal acceptors on benzothiadiazole-based BT2F-IC4F molecule to establish efficient organic solar cells M Waqas, NMA Hadia, MM Hessien, J Iqbal, GAM Mersal, S Hameed, ... Journal of Molecular Liquids 368, 120770, 2022 | 35 | 2022 |
| Synthesis, crystal structure and characterization of a new organic–inorganic hybrid material:[C6H16N2O] SbCl5 Z Aloui, V Ferretti, S Abid, M Rzaigui, F Lefebvre, CB Nasr Journal of Molecular Structure 1087, 26-32, 2015 | 31 | 2015 |
| Crystal structure, Hirshfeld surface and spectroscopic studies of the noncentrosymmetric Bi (III) halide complex:[C8H12N] 3BiCl6 M Essid, Z Aloui, V Ferretti, S Abid, F Lefebvre, M Rzaigui, CB Nasr Inorganica Chimica Acta 457, 122-129, 2017 | 29 | 2017 |
| Synergistic modification of end groups in Quinoxaline fused core-based acceptor molecule to enhance its photovoltaic characteristics for superior organic solar cells S Sadiq, M Waqas, A Zahoor, RF Mehmood, M Essid, Z Aloui, RA Khera, ... Journal of Molecular Graphics and Modelling 123, 108518, 2023 | 26 | 2023 |
| Synthesis, characterization, Hirshfeld surface analysis and computational studies of 1-methylpiperazine-1, 4-diium bis (hydrogen oxalate):[C5H14N2](HC2O4) 2 M Essid, S Muhammad, H Marouani, A Saeed, Z Aloui, AG Al-Sehemi Journal of Molecular Structure 1211, 128075, 2020 | 26 | 2020 |
| Synthesis, crystal structure, and spectroscopic studies of organic–inorganic hybrid material:[C7H10NO] 2BiBr5 Z Aloui, V Ferretti, S Abid, F Lefebvre, M Rzaigui, CB Nasr Journal of Molecular Structure 1118, 301-306, 2016 | 21 | 2016 |
| High-efficiency and low-energy-loss organic solar cells enabled by tuning the end group modification of the terthiophene-based acceptor molecules to enhance photovoltaic properties FU Rehman, S Hameed, RA Khera, M Shaban, M Essid, Z Aloui, ... ACS omega 8 (45), 42492-42510, 2023 | 19 | 2023 |
| A DFT study for improving the photovoltaic performance of organic solar cells by designing symmetric non-fullerene acceptors by quantum chemical modification on pre-existed … A Zahoor, S Sadiq, RA Khera, M Essid, Z Aloui, NS Alatawi, MAA Ibrahim, ... Journal of Molecular Graphics and Modelling 125, 108613, 2023 | 17 | 2023 |
| Synthesis, crystal structure and vibrational spectroscopic analysis of tetrakis (5-amino-1-H-1, 2, 4-triazol-4-ium) decachlorodibismuthate (III):[C2H5N4] 4Bi2Cl10 Z Aloui, V Ferretti, S Abid, F Lefebvre, M Rzaigui, CB Nasr Journal of Molecular Structure 1097, 166-170, 2015 | 17 | 2015 |
| Exploring the electronic, optical, and charge transfer properties of ADA-type IDTV-ThIC-based molecules to enhance photovoltaic performance of organic solar cells M Majeed, M Waqas, Z Aloui, M Essid, MAA Ibrahim, RA Khera, ... ACS omega 8 (48), 45384-45404, 2023 | 15 | 2023 |
| Electro-optical and charge transport properties of chalcone derivatives using a dual approach from molecule to material level simulations RA Shehzad, S Muhammad, AR Chaudhry, S Ito, J Iqbal, M Khalid, ... Computational and Theoretical Chemistry 1203, 113349, 2021 | 14 | 2021 |
| A systematic and comparative analysis of four major classes of DFT functionals to compute linear and nonlinear optical properties of benchmark molecules A Waheed, S Muhammad, MA Gilani, M Adnan, Z Aloui Journal of Computational Biophysics and Chemistry 20 (05), 517-528, 2021 | 13 | 2021 |
| Synthesis, structural and vibrational investigation for Tetrakis (2, 6-diethylanilinium) decabromodibismuthate (III) hexahydrate [C10H16N] 4Bi2Br10· 6H2O Z Aloui, V Ferretti, S Abid, F Lefebvre, M Rzaigui, CB Nasr Journal of Molecular Structure 1106, 76-81, 2016 | 12 | 2016 |
| Synthesis, crystal structure, vibrational and optical properties of a new Bi (III) halide complex:(C9H13N2O2) 2Bi2Cl8 C Ounally, M Essid, G Bruno, S Abid, G Faggio, Z Aloui Journal of Molecular Structure 1183, 52-59, 2019 | 11 | 2019 |
| Crystal structure, vibrational and optical properties of a new Bi (III) halide complex:[C6H16N2] 5Bi2Br10 (BiBr6) 2· 2H2O M Essid, Z Aloui, V Ferretti, F Lefebvre, CB Nasr Inorganica Chimica Acta 466, 235-242, 2017 | 11 | 2017 |
| Novel A-π-D-π-A-type non-fullerene acceptors for solution-processed organic photovoltaic cells: a DFT study MI Khan, NMA Hadia, J Iqbal, SJ Akram, MM Hessien, AM Shawky, ... Journal of Solid State Chemistry 317, 123714, 2023 | 10 | 2023 |
| Synthesis, spectroscopic characterization, and X-ray structure analysis of bis (2-amino-4-methylpyrimidin-1-ium) chloride tetrachloroantimonate (III) monohydrate [C 5 H 8 N 3 … Z Aloui, M Essid, S Abid, M Rzaigui, CB Nasr Monatshefte für Chemie-Chemical Monthly 146, 1465-1471, 2015 | 9 | 2015 |
| Synthesis, crystal structure and characterization of two new organic bismuthate(III) compounds: [C6H18O]2Bi2X10·2H2O (X = Br, Cl) Z Aloui, V Ferretti, S Abid, M Rzaigui, CB Nasr Journal of Thermal Analysis and Calorimetry 121, 613-618, 2015 | 9 | 2015 |
