In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells
Muhammad Usman Khan, Riaz Hussain, Muhammad Yasir Mehboob, Muhammad Khalid, Zahid Shafiq, Muhammad Aslam, Abdulaziz A. Al‐Saadi, Saba Jamil, Muhammad Ramzan Saeed Ashraf Janjua
Abstract
, thus paving the way for experimentalists to look for future developments of Y-series-based highly efficient solar cells.
Topics & Concepts
Organic solar cellDensity functional theoryAcceptorBand gapTime-dependent density functional theoryMaterials scienceElectron acceptorFullereneExcitonElectron mobilityPolymer solar cellHOMO/LUMOOpen-circuit voltageSolar cellAbsorption (acoustics)Marcus theoryMoleculeChemistryComputational chemistryOptoelectronicsPhotochemistryPolymerVoltagePhysicsOrganic chemistryCondensed matter physicsReaction rate constantKineticsComposite materialQuantum mechanicsOrganic Electronics and PhotovoltaicsPerovskite Materials and ApplicationsConducting polymers and applications