SYNTHESIS, CHARACTERIZATIONS, AND APPLICATIONS OF CONJUGATED SMALL MOLECULES AND POLYMERS FOR ORGANIC SOLAR CELLS AND ORGANIC LIGHT-EMITTING DIODES

2025-4-18
Karakurt, Oğuzhan
This thesis presents the design, synthesis, and characterization of advanced organic optoelectronic materials for organic solar cells (OSCs) and organic light-emitting diodes (OLEDs), with a focus on donor-acceptor (D-A) conjugated polymers, thermally activated delayed fluorescence (TADF) emitters, and gold nanoparticle (AuNP)-based nanostructures. Ligand-free AuNPs were incorporated into OSC active layers and stabilized via covalent interactions with thiol-functionalized benzoxadiazole-based conjugated polymers. The inclusion of AuNPs improved light absorption and reduced charge recombination, resulting in a 21.4% enhancement in power conversion efficiency (PCE), from 2.71% to 3.29%. Conjugated random copolymers incorporating benzoxadiazole-thienopyrrole acceptors and selenophene π-bridges exhibited tuneable bandgaps (1.67–1.70 eV). These polymers achieved a maximum PCE of 6.26%, with a short-circuit current density (JSC) of 11.44 mA/cm², an open-circuit voltage (VOC) of 0.80 V, and a fill factor (FF) of 68.81%. Further, silicon incorporation into D-A polymers with selenophene π-bridges was investigated. The resulting silicon-containing polymer exhibited improved π-conjugation, enhanced molecular planarity, and a reduced HOMO-LUMO bandgap (1.56 eV compared to 1.64 eV for the non-silicon-containing polymer). Silicon-containing OSCs demonstrated a PCE of 3.64%, with a JSC of 8.60 mA/cm², a VOC of 0.66 V, and an FF of 64.04%. TADF emitters featuring sulphur- and selenium-substituted triarylboron cores were developed for OLED applications. These emitters exhibited singlet-triplet energy gaps as low as 0.007 eV, photoluminescence quantum yields up to 85%, and external quantum efficiencies (EQE) of up to 25.3%. The selection of donor units and conformational control were shown to critically influence TADF efficiency.
Citation Formats
O. Karakurt, “SYNTHESIS, CHARACTERIZATIONS, AND APPLICATIONS OF CONJUGATED SMALL MOLECULES AND POLYMERS FOR ORGANIC SOLAR CELLS AND ORGANIC LIGHT-EMITTING DIODES,” Ph.D. - Doctoral Program, Middle East Technical University, 2025.