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End-capped group modification on cyclopentadithiophene based non-fullerene small molecule acceptors for efficient organic solar cells; a DFT approach

Muhammad Imran Khan, Javed Iqbal, Sahar Javaid Akram, Yaser A. El‐Badry, Muhammad Yaseen, Rasheed Ahmad Khera

2022Journal of Molecular Graphics and Modelling66 citationsDOI

Topics & Concepts

Organic solar cellDensity functional theoryHOMO/LUMOMoleculeAcceptorFullereneBand gapExcited stateElectron affinity (data page)ChemistryEnergy conversion efficiencyMaterials scienceComputational chemistryAtomic physicsPhysicsOptoelectronicsPolymerOrganic chemistryCondensed matter physicsOrganic Electronics and PhotovoltaicsMolecular Junctions and NanostructuresQuantum Dots Synthesis And Properties
End-capped group modification on cyclopentadithiophene based non-fullerene small molecule acceptors for efficient organic solar cells; a DFT approach | Litcius