The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells
Iqra Shafiq, Muhammad Khalid, Malaika Muneer, Muhammad Adnan Asghar, Rabia Baby, Sarfraz Ahmed, Tansir Ahamad, Sara Figueirêdo de Alcântara Morais, Ataualpa Albert Carmo Braga
Topics & Concepts
Organic solar cellHOMO/LUMODensity functional theoryBand gapBathochromic shiftTime-dependent density functional theoryBasis setChromophoreChemistryComputational chemistryMaterials scienceAcceptorBinding energyExcitonPhotochemistryPhysical chemistryMoleculeOptoelectronicsAtomic physicsOrganic chemistryPhysicsOpticsPolymerFluorescenceCondensed matter physicsQuantum mechanicsOrganic Electronics and PhotovoltaicsConducting polymers and applicationsMolecular Junctions and Nanostructures