Impact of end-group modifications and planarity on BDP-based non-fullerene acceptors for high-performance organic solar cells by using DFT approach
Muhammad Umar Saeed, N. M. A. Hadia, Javed Iqbal, Mahmoud M. Hessien, Ahmed M. Shawky, Muhammad Ans, Naifa S. Alatawi, Rasheed Ahmad Khera
Topics & Concepts
Planarity testingOrganic solar cellDensity functional theoryChemistryMolecular orbitalBasis setTime-dependent density functional theoryMoleculeComputational chemistryFullereneAbsorption (acoustics)HOMO/LUMOOpen-circuit voltageMulliken population analysisMaterials scienceCrystallographyOrganic chemistryVoltagePhysicsComposite materialPolymerQuantum mechanicsOrganic Electronics and PhotovoltaicsMolecular Junctions and NanostructuresConducting polymers and applications