2020•Materials Today ProceedingsRequires access

Significance of five membered heterocycles in fine tuning of HOMO-LUMO gap of simple donor-acceptor system as organic solar cell material: A DFT approach

Daisy Rajaian Sherin, Thanathu Krishnan Manojkumar

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Key concepts: Natural bond orbital, HOMO/LUMO, Delocalized electron, Time-dependent density functional theory, Density functional theory, Organic solar cell, Computational chemistry, Molecular orbital

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Significance of five membered heterocycles in fine tuning of HOMO-LUMO gap of simple donor-acceptor system as organic solar cell material: A DFT approach — Research Paper | ScholarLens