Predicting benzodithiophene based donor materials with enhanced 19.09% PCE, open-circuit voltage and optoelectronic attributes for solar cell applications: Photochemical insights from DFT
Muhammad Usman Khan, Faiza Shafiq, Muhammad Ramzan Saeed Ashraf Janjua, Muhammad Khalid, Junaid Yaqoob, Muhammad Arshad, Saad M. Alshehri, Rais Ahmad Khan
Topics & Concepts
Density functional theoryOpen-circuit voltageEnergy conversion efficiencyBand gapAcceptorHOMO/LUMOMoleculeOrganic solar cellChemistryElectron acceptorSolar cellMolecular orbitalPhotochemistryMaterials scienceAbsorption spectroscopyComputational chemistryOptoelectronicsVoltageOrganic chemistryCondensed matter physicsPolymerPhysicsQuantum mechanicsOrganic Electronics and PhotovoltaicsConducting polymers and applicationsPerovskite Materials and Applications