2018•Computational Materials ScienceRequires access

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, K. Alimi

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Key concepts: HOMO/LUMO, Density functional theory, Organic solar cell, Absorption (acoustics), Band gap, Molecule, Time-dependent density functional theory, Range (aeronautics)

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