Accelerated discovery of high-efficient N-annulated perylene organic sensitizers for solar cells via machine learning and quantum chemistry
Lifei Ju, Minjie Li, Lumin Tian, Pengcheng Xu, Wencong Lu
Topics & Concepts
Density functional theoryPeryleneQuantitative structure–activity relationshipPhotovoltaic systemMaterials scienceMoleculeEnergy conversion efficiencyHybrid functionalQuantum chemistryComputational chemistryComputer scienceOptoelectronicsChemistryOrganic chemistryMachine learningEcologySupramolecular chemistryBiologyTiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesQuantum Dots Synthesis And Properties