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 · 80 citations

Natural Sciences, Chemistry, Physics +17

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 · 25 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

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 · 25 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

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

Natural Sciences, Chemistry, Physics +16

Developed non-fullerene acceptors with modified BTPT-OD donor core: A DFT and TD-DFT methods to boost organic solar cell performances

Walid Taouali, Amel Azazi, Rym Hassani et al. · Organic Electronics · 2025 · 20 citations

Natural Sciences, Chemistry, Materials Science +17