Easily synthesized pyrene-based nonfullerene acceptors for efficient organic solar cells

Impact of end‐capped engineering on the optoelectronic characteristics of pyrene‐based non‐fullerene acceptors for organic photovoltaics

“…Absorption spectra were simulated for these levels in the solvent phase (chloroform), using the same basis set. By comparing the absorption maxima with experimental values of Py-2F (QL) [28], MPW1PW91 was chosen as the most suitable level of theory, as it provided the best match to the experimental wavelength, as shown in Figure 1. As a result, further calculations for both the reference (QL) and tailored molecules (QL1-QL8) were done at the MPW1PW91/6-31G(d,p) level.…”

“…Isopropyl and 2-octyl-dodecyl were added to pyrene or thiophenes as sidechains to increase solubility in the solution process. The results showed that Py-2F, which had a narrower bandgap, red-shift absorbance, and superior crystallinity than Py-2H, produced a PCE of 9.73%, double that of Py-2H (5.13%), with PBDT-T as the standard donor [28,29].…”

Annulation of Perimidines with 5-Alkynylpyrimidines en Route to 7-Formyl-1,3-Diazopyrenes

“…Pyrene motifs attract attention of many research groups studying photochemistry and molecular electronics. Examples demonstrating utilization of pyrenes in the manufacturing of organic light-emitting diodes (OLED) [ 1 , 2 , 3 ], organic filed-effect transistors (OFET) [ 2 , 4 , 5 , 6 ], organic photo-voltaic devises (OPVs) [ 2 , 7 , 8 ], hole-conductive materials for solar cells [ 9 ], and other photoconductive covalent organic building blocks are omnipresent in literature [ 10 ]. Major advances were made in the development of pyrene-based fluorescent probes [ 11 ] for the analytical detection of copper [ 12 , 13 ] and other heavy metals [ 13 ], as well as picric acid [ 14 ].…”