This work explores the dispersed heterojunction of tris-(8-hydroxyquinoline) aluminum (AlQ3) and 8-hydroxyquinoline zinc (ZnQ2) with tetracyanoquinodimethane (TCNQ) and 2,6-diaminoanthraquinone (DAAq). Thin films of these organic semiconductors were deposited and analyzed, with their structures calculated with the B3PW91/6-31G** method. The optimized structure for AlQ3-TCNQ, AlQ3-DAAq, is achieved by means of three hydrogen bonds, whereas for ZnQ2-DAAq, two hydrogen interactions are predicted. These structures were recalculated including the GD3 dispersion term. A stable ordering was also achieved for AlQ3-TCNQ-GD3, AlQ3-DAAq-GD3, and ZnQ2-DAAq-GD3 with four and two hydrogen contacts for the former and the two latter, respectively. Infrared (IR) and UV-visible spectroscopy confirmed these theoretical predictions, in addition to obtaining the optical band gap for the films. The optical band gap values ranged between 1.62 and 2.97 eV (theoretical) and between 2.46 and 2.87 eV (experimental). Additional optical parameters and electrical behavior were obtained, which indicates the potential of the films to be used as organic semiconductors. All three films showed transmittance above 76%, which also broadens the range of applications in electrodes, transparent transistors, or photovoltaic cells. Devices fabricated using these materials displayed ohmic electrical behavior, with peak current values between 2 × 10−3 and 6 × 10−3 A.
2 April 2022 in Materials Science and Engineering: B
This study presents the fabrication of composite photoelectrodes containing halogenated phthalocyanines (F16CuPc and MnPcCl) embedded in polymeric matrices of PEDOT:PSS (poly(2,3-dihydrothieno-1,4-dioxin)-poly(styrenesulfonate)) and PLA (polylactic acid biopolymer). These composites were deposited on PET, palm leaf, and wheat bagasse recyclable substrates, and were morphologically characterized. The reflectance for F16CuPc/PEDOT:PSS is less than 8.5%, and that for MnPcCl/PLA changes depending on the substrate, ranging between 10% and 40%. Additionally, in the case of F16CuPc/PEDOT:PSS, the Kubelka–Munk band gap is 3.7 eV, and in the case of F16CuPc/PEDOT:PSS, the band gap varied between 2.85 and 3.47 eV. The composites were evaluated as electrodes in bio-based sustainable devices, fabricated with commercially available paper towels used as an organic membrane separator. The palm-device showed the best performance throughout its charge and discharge cycle. The device improves its performance at high speeds and reaches its highest peak at 100 mV s−1 with 3.14 × 104 μA. On the other hand, the greatest thermal stability for the composites is for those deposited onto bagasse substrate, reaching up to 220 °C and 357 °C for F16CuPc/PEDOT:PSS and MnPcCl/PLA, respectively. Also, these composites exhibit charge–discharge behavior when studied in bio-based sustainable devices and can be used as electrodes.
8 October 2026 in Fullerenes, Nanotubes and Carbon Nanostructures
Zinc(II) bis(8-hydroxyquinolinate) (Zn(HQ)2) and 1,10-phenanthroline (phen) were combined to fabricate an organic semiconductor in a bulk heterojunction architecture and subsequently embedded in a poly 3,4-ethylene dioxythiophene–polystyrene sulfonate (PEDOT–PSS) matrix. The resulting Zn(HQ)2-phen/PEDOT–PSS was deposited as a film upon tin-oxide-coated glass and graphite-covered Tetra Pak (TP)-recycled substrates for the manufacture of organic photoconductive devices. The topographical and micromechanical characteristics of the hybrid films were assessed by atomic force microscopy, with an average roughness of 5.6 nm, maximum tensile strength of 7.95 MPa, and Knoop microhardness of 14.7. The fundamental energy gap (Eg) was determined employing the Kubelka–Munk function, with Eg of 3.5–3.8 eV. These results were complemented with a computational DFT molecular orbital analysis of the species involved in the hybrid semiconductor. The devices were electrically characterized under UV irradiation conditions, obtaining the current–voltage and power–voltage relationships. The maximum current in the TP–graphite device is 1.8 × 10−2 A and 1.1 × 10−2 A in the device on glass–ITO. Zn(HQ)2-phen/PEDOT–PSS film presents its own operating regimes relating to a photoconductor or flexible photoresistor. The power in the device on glass–ITO is 120 mW and 113 mW for shortwave and longwave, respectively, and in the device on TP–graphite, it is 198 mW and 139 mW.