Walid Taouali

Theoretical design of new small molecules with a low band-gap for organic solar cell applications: DFT and TD-DFT study

Walid Taouali, Mark E. Casida, Ala Aldin M. H. M. Darghouth et al. · Computational Materials Science · 2018 · 74 citations

Organic Charge-transfer Compound, Engineering, New Small Molecules +12

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

Walid Taouali, K. Alimi, Asma Sindhoo Nangraj et al. · Journal of Computational Chemistry · 2023 · 21 citations · Full text

Exploring the Impact of Structural Modifications of Phenothiazine-Based Novel Compounds for Organic Solar Cells: DFT Investigations

Walid Taouali, Amel Azazi, Rym Hassani et al. · Polymers · 2025 · 21 citations · Full text

Assessment of Density-Functional Tight-Binding Ionization Potentials and Electron Affinities of Molecules of Interest for Organic Solar Cells Against First-Principles GW Calculations

Ala Aldin M. H. M. Darghouth, Mark E. Casida, Walid Taouali et al. · Computation · 2015 · 20 citations · Full text

Engineering, Organic Electronics, Organic Solar Cell +16

Optimizing non-fullerene acceptor molecules constituting fluorene core for enhanced performance in organic solar cells: a theoretical methodology

Walid Taouali, K. Alimi · Journal of Molecular Modeling · 2024 · 17 citations