Get started
Author

Walid Taouali

Observed names: Taouali, Walid, W. Taouali
Observed institution: University of Monastir
ORCID: 0009-0007-1429-5742
Observed ORCID: 0009-0007-1429-5742
OpenAlex ID: A5039753455
Theoretical design of new small molecules with a low band-gap for organic solar cell applications: DFT and TD-DFT study
2018 · W. Taouali, Mark E. Casida, et al. · Computational Materials Science · 82
Density‐functional theory (DFT) and time‐dependent DFT study of the chemical and physical origins of key photoproperties of end‐group derivatives of a nonfullerene acceptor molecule for bulk heterojunction organic solar cells
2023 · Walid Taouali, Kamel Alimi, et al. · Journal of Computational Chemistry · 29
PDF
Exploring the Impact of Structural Modifications of Phenothiazine-Based Novel Compounds for Organic Solar Cells: DFT Investigations
2025 · Walid Taouali, Amel Azazi, et al. · Polymers · 28
PDF
Developed non-fullerene acceptors with modified BTPT-OD donor core: A DFT and TD-DFT methods to boost organic solar cell performances
2025 · Walid Taouali, Amel Azazi, et al. · Organic Electronics · 25
Assessment of Density-Functional Tight-Binding Ionization Potentials and Electron Affinities of Molecules of Interest for Organic Solar Cells Against First-Principles GW Calculations
2015 · Ala Darghouth, Mark Casida, et al. · Computation · 25
PDF
Optimizing non-fullerene acceptor molecules constituting fluorene core for enhanced performance in organic solar cells: a theoretical methodology
2024 · Walid Taouali, Kamel Alimi · Journal of Molecular Modeling · 20
Exploring the impact of cyano substitutions in non-fullerene acceptors for enhanced organic solar cell performance: A DFT and TD-DFT investigation
2025 · Walid Taouali, Amel Azazi, et al. · Computational and Theoretical Chemistry · 15
Exploring the Impact of Heavy Atom Substitutions (Se, Te) on the CB16-Based Non- Fullerene Acceptor for High-Performance Organic Solar Cells: DFT and TD-DFT Study
2025 · Walid Taouali, Kamel Alimi · Journal of Fluorescence · 12
Conception and Theoretical Study of a New Copolymer Based on MEH-PPV and P3HT: Enhancement of the Optoelectronic Properties for Organic Photovoltaic Cells
2022 · Mariem Ltayef, Maha M. Almoneef, et al. · Polymers · 12
PDF
Rational design of (D-A) copolymers towards high efficiency organic solar cells: DFT and TD-DFT study
2019 · Walid Taouali, Mark E. Casida, et al. · Journal of Molecular Graphics and Modelling · 11
Photo-physical effects of the chemical insertion of the dimethyl-amine moiety on the newly synthesized oligophenylene (OMPA)
2021 · M. Chemek, S. Ben Amor, et al. · Journal of Molecular Structure · 6
Experimental and computational insights of the new hybrid organic–inorganic compound (C 6 H 9 N 2 ) 2 CdI 4 for advanced optoelectronic applications and biological activities
2026 · Arafet Ghoudi, Walid Taouali, et al. · Materials Advances · 5
PDF
Theoretical investigation of oligomer structure and optoelectronic properties for [4-(methoxyphenyl)acetonitrile]n (n=1-5)
2017 · W. Taouali, M. E. Casida, et al. · Journal of Molecular Modeling · 5
Effect of the VK-Stilbene copolymer nanostructuration on their photophysical properties
2021 · M. Mbarek, Abeer S. Altowyan, et al. · Optical Materials · 4
Computational investigation of functionalized BTBT-based molecules for organic solar energy harvesting: DFT and TD-DFT study
2025 · Walid Taouali, Kamel Alimi · Scientific African · 3
Acceptor engineering of BTBT derived donor materials for high performance organic solar cells via density functional and time dependent density functional theory
2026 · Walid Taouali, Kamel Alimi · Discover Applied Sciences · 1
CCDC 2284327: Experimental Crystal Structure Determination
2026 · Ghoudi, Arafet, Taouali, Walid, et al. · The Cambridge Structural Database · 1
Tuning the properties of coumarin-based small molecule donors via strong acceptor substitution for advanced donor/PCBM organic solar cells
2025 · Walid Taouali, Mourad Chemek, et al. · Scientific African · 1
Acceptor/Donor End Capped Phenylene-Thiophene Co-oligomers Toward Efficiencies Organic Electronic Devices
2020 · Abdelkader Hlel, Saber Ghomrasni, et al. · International Journal of Computational and Theoretical Chemistry · 1
PDF
Synthesis, spectroscopic characterization, structural analysis and DFT study of a five-coordinate iron(III) octaethylporphyrin complex
2026 · Mondher Dhifet, Walid Taouali, et al. · Discover Chemistry.
PDF
Designing advanced luminescent materials via imidazole incorporation: Integrated experimental and DFT/TD-DFT analysis
2026 · Hanen Jomaa, Boubaker Zaidi, et al. · Scientific African
PDF
Novel fluorescent substituted pyridines: Experimental characterization and theoretical evaluation for OLED applications
2025 · Hanen Jomaa, Walid Taouali, et al. · Synthetic Metals
Study on Photo-physical Properties of News Synthesized Olygophenylene Derivatives
2021 · Mourad Chemek, Walid Taouali, et al. · Book Publisher International (a part of SCIENCEDOMAIN International)
Works count: 23
Citation count: 286
H-index: 10
I10-index: 10
Year
Topic
Type