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Theoretical Study of the Charge Transfer Exciton Binding Energy in Semiconductor Materials for Polymer:Fullerene-Based Bulk Heterojunction Solar Cells

2019

Recent efforts and progress in polymer solar cell research have boosted the photovoltaic efficiency of the technology. This efficiency depends not only on the device architecture but also on the material properties. Thus, insight into the design of novel semiconductor materials is vital for the advancement of the field. This paper looks from a theoretical viewpoint into two of the factors for the design of semiconductor materials with applications to bulk heterojunction solar cells: the charge transfer exciton binding energy and the nanoscale arrangement of donor and acceptor molecules in blend systems. Being aware that the exciton dissociation of local excitons in charge transfer states in…

ORGANIC SEMICONDUCTORSOrganic solar cellExcitonBinding energyCHEMICAL-STRUCTURE010402 general chemistry01 natural sciences7. Clean energyENERGETICSPolymer solar cellArticleDENSITY-FUNCTIONAL THEORY0103 physical sciencesSTRATEGYPhysical and Theoretical Chemistry010304 chemical physicsChemistryGAPHeterojunctionAcceptor0104 chemical sciencesP3HT/PCBMOrganic semiconductorSTATESChemical physicsExcited stateSEPARATIONMORPHOLOGYThe Journal of Physical Chemistry. a
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