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Theoretical, spectroscopical, and experimental investigations of small azomethine molecules for organic solar cells
摘要： Small azomethine molecules (4,4′-bis((2-hydroxy-4-octyloxyphenyl)methylimino)diphenylmethane (BP-DPM) and 4,4′-bis((2-hydroxy-4-octyloxyphenyl)methylimino)diphenyl ether (BP-DPE)) for photovoltaic applications were synthesized by condensation of appropriate arylaldehydes and arylendiamines and characterized using Fourier-transform infrared spectroscopy, 1H NMR, 13C NMR, and liquid chromatography–mass spectrometry. Azomethine molecules are additives in organic solar cells. The effect of a possible energy transfer between BP-DPE and P3HT on the photovoltaic performance of devices employing ternary blends of BP-DPE:P3HT: phenyl-C61-butyric acid methyl ester (PCBM) was investigated by absorption and emission spectra. The devices employing BP-DPE:P3HT:PCBM with 1:4 ratio exhibited a Jsc of 4.2 mA cm?2, Voc of 575 mV, and FF of 0.27 which led to a power conversion efficiency (PCE) of 0.65%. In addition, density functional theory calculations (DFT/B3LYP/6-31G(d)) were used to determine the optimized molecular geometry, highest occupied molecular orbital–lowest unoccupied molecular orbital energies, electronic structures, and the molecular electrostatic potential surfaces of the molecules.
关键词： density functional theory calculations,organic solar cell,azomethines,fluorescence
更新于2025-09-19 17:13:59
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Chemical and Electrochemical Syntheses, Structure, and Luminescent Properties of Zinc and Cadmium Complexes with N-{2-[(E)-(4-tert-Butylphenyl)iminomethyl]phenyl}-4-methylbenzenesulfonamide
摘要： New Zn(II) and Cd(II) complexes with N-{2-[(E)-(4-tert-butylphenyl)iminomethyl]phenyl}-4-methylbenzenesulfonamide were synthesized by chemical and electrochemical methods. The ligand and metal complexes were characterized by the methods of IR, 1H NMR, electron absorption spectroscopy, and X-ray absorption spectroscopy and by quantum chemical calculations. Electroluminescent devices with zinc and cadmium complexes were fabricated as emitter layers, which showed radiation brightness of 460 cd/m2 (15 V) with a maximum at 502 nm and 140 cd/m2 (15 V) with a maximum at 535 nm, respectively.
关键词： metal chelates,azomethines,electroluminescent devices
更新于2025-09-09 09:28:46