Theoretical, spectroscopical, and experimental investigations of small azomethine molecules for organic solar cells
JOURNAL OF CHEMICAL RESEARCH, vol.44, pp.625-631, 2020 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 44
- Publication Date: 2020
- Doi Number: 10.1177/1747519820912671
- Journal Name: JOURNAL OF CHEMICAL RESEARCH
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, Metadex
- Page Numbers: pp.625-631
- Yıldız Technical University Affiliated: Yes
Abstract
Small azomethine molecules (4,4 '-bis((2-hydroxy-4-octyloxyphenyl)methylimino)diphenylmethane (BP-DPM) and4,4 '-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,H-1 NMR,C-13 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 J(sc) of 4.2 mA cm(-2), V-oc 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.