The chemical doping of silicon phthalocyanine dihydroxide (SiPc(OH)₂), with (2E, 4Z)-5, 7-diphenylhepta-2, 4-dien-6-ynoic acids (DAc) with electron-withdrawing (BrDAc) and electron-donating (MeODAc) substituents is the main purpose of this work. Theoretical calculations were carried out on Gaussian16 software, with geometrical optimization of all involved species, and obtention of the highest occupied molecule orbital (HOMO), lowest unoccupied molecular orbital (LUMO), and the respective energy gaps. The theoretical calculations show two hydrogen bridge formations: the first one as a peripheral interaction between the terminal oxygen atoms from the acid unit and hydrogen atoms from the phthalocyanine aromatic rings. The second one as the interaction at the nitrogen atoms of the phthalocyanine, which are compelled to form a new flat plane far from the original flat phthalocyanine deck. These organic semiconductors were deposited as thin films and characterized by IR spectroscopy, atomic force microscopy (AFM), and the optical parameters were gathered from UV–Vis studies. The indirect and direct optical band gap, the onset gap and the Urbach energy were obtained. In order to compare the effect of the acids as dopants of the silicon phthalocyanine, the SiPc(OH)₂-DAc films were electrically characterized. The SiPc(OH)₂-DAc films exhibit an ambipolar electrical behavior, which is influenced by the incidence of different lighting conditions at voltages above 0.3V. The glass/ITO/SiPc(OH)₂-MeODAc/Ag reaches a maximum current of 5.68 × 10⁻⁵ A for natural light condition, while the glass/ITO/SiPc(OH)₂-BrDAc/Ag, reaches a maximum current of 9.21 × 10⁻⁹ A for white illumination condition.

In this work, indanone derivatives with a triphenylamine core structure (IND-1, IND-2, and IND-3) were studied as prospective electrodes. The indanones were synthesized and characterized for optimal deposition as charge-modulating electrodes. The structural arrangement of compound IND-3 was established, and the structure crystallized in a P2₁/c monoclinic space group. The electrodes were evaluated for reflectance and band gaps of direct and indirect transitions. Indanones show optical band gap values in the range of 2.46 and 2.86 eV. These values were compared with those obtained theoretically by means of DFT, from which the HOMO and LUMO molecular orbitals were also calculated. To evaluate the indanone response, photoactive devices with indanone-derivative electrodes and copper phthalocyanine as a photoactive electrode were fabricated. Cyclic voltammetry (CV) was conducted using a two-electrode arrangement, within a potential range of −0.1 to 1 V, a step of 10 mV, and a scan rate of 0.1 V/s. The transported current is around 10⁻¹–10⁴ µA, and CV revealed distinct behaviors related to each kind of indanone. Finally, the electrodes were removed from each device and analyzed by IR spectroscopy, demonstrating that they did not undergo degradation during operation and can continue to be used for the manufacture of other devices.

Tradicionalmente, los compuestos orgánicos han sido considerados aislantes eléctricos. Sin embargo, el estudio de los semiconductores orgánicos ha llevado al desarrollo de alternativas al silicio semiconductor, basadas en moléculas π-conjugadas tales como las ftalocianinas. En el presente estudio, se llevó a cabo un dopaje químico sobre el dicloruro de ftalocianina de silicio (SiPcCl2), con un ácido dieninoico con sustituyente bromuro, Br-1 (BrDAc). El semiconductor orgánico dopado fue sublimado al alto vacío y depositado sobre diferentes sustratos, para llevar a cabo una caracterización estructural, óptica, y eléctrica como película delgada. Para la caracterización estructural se realizó espectroscopía infrarroja, y se evaluaron parámetros ópticos como la transmitancia y absorbancia, obtenidos mediante espectroscopía ultravioleta-visible. A partir de estos resultados se determinaron por medio del modelo de Tauc, las brechas energéticas. Finalmente, se fabricaron dispositivos eléctricos simples: ITO/SiPcCl2-BrDAc/Ag que fueron caracterizados eléctricamente, para determinar el comportamiento cuando la película semiconductora SiPcCl2-BrDAc forma parte de un dispositivo simple.

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 (E_g) was determined employing the Kubelka–Munk function, with E_g 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.