DFT study of host-dopant systems of DPVBi with organophosphorus π-conjugated materials
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DOI: 10.1016/j.comptc.2017.05.001
Abstract: A detailed computational analysis of intermolecular interactions and optoelectronic properties is carried out using DFT/TD-DFT methods for the emissive materials namely 4,4'-bis(2,2′-diphenylvinyl)-1,1′-biphenyl, DPVBi, phospholes 2-thienyl 5-fluorenyl thioxophosphole, A and 2-(5-methyl) thienyl 5-fluorenyl thioxophosphole, B and… read more here.
Keywords: host dopant; study host; dopant systems; dft study ... See more keywords