Structural determination, characterization and computational studies of doped semiconductors base silicon phthalocyanine dihydroxide and dienynoic acids.

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.

Design of Promising Uranyl(VI) Complexes Thin Films with Potential Applications in Molecular Electronics.

In this work, it is proposed the development of organic semiconductors (OS) based on uranyl(VI) complexes. The above by means of the synthesis and the characterization of the complexes by Infrared spectroscopy, Nuclear magnetic resonance spectroscopy, mass spectrometry, and X-ray diffraction. Films of these complexes were deposited and subsequently, topographic and structural characterization was carried out by Scanning Electron Microscopy, X-ray diffraction, and Atomic Force Microscopy. Additionally, the nanomechanical evaluation was performed to know the stiffness of uranyl films using their modulus of elasticity. Also, the optical characterization took place in the devices and their bandgap value ranges between 2.40 and 2.93 eV being the minor for the film of the uranyl complex with the N on pyridine in position 4 (2 c). Finally, the electrical behavior of the uranyl(VI) films was evaluated, and important differences were obtained: the uranyl complex with the N on pyridine in position 2 (2 a) film is not influenced by changes in lighting and its current density is in the order of 10-3  A/cm2 . The film with uranyl complex with the N on pyridine in position 3 (2 b) and 2 c presents a greater current flow under lighting conditions and two orders of magnitude larger than in film 2 a. In these films 2 b and 2 c, ohmic behavior occurs at low voltages, while at high voltages the charge transport changes to space-charge limited current behavior.

Using Recycled Tetrapak and Doped Titanyl/Vanadyl Phthalocyanine to Make Solid-State Devices.

In this work we studied the semiconductor behavior of titanyl phthalocyanine (TiOPc) and vanadyl phthalocyanine (VOPc), doped with anthraflavic acid and deposited on Tetrapak/graphite as flexible electrodes. The molecular structure was approached using the density functional theory and astonishingly, it was found that the structure and electronic behavior can change depending on the metal in the phthalocyanine. Experimentally, the Root Mean Square was found to be 124 and 151 nm for the VOPc-Anthraflavine and TiOPc-Anthraflavine films, respectively, and the maximum stress was 8.58 MPa for the film with VOPc. The TiOPc-Anthraflavine film presents the smallest fundamental gap of 1.81 eV and 1.98 eV for indirect and direct transitions, respectively. Finally, the solid-state devices were fabricated, and the electrical properties were examined. The tests showed that the current-voltage curves of the devices on Tetrapak and VOPc-Anthraflavine on a rigid substrate exhibit the same current saturation behavior at 10 mA, which is achieved for different voltage values. Since the current-voltage curves of the TiOPc-Anthraflavine on a rigid substrate presents a defined diode model behavior, it was approximated by nonlinear least squares, and it has been determined that the threshold voltage of the sample for the different lighting conditions is between 0.6 and 0.8 volts.

Preparation of Hybrid Films Based in Aluminum 8-Hydroxyquinoline as Organic Semiconductor for Photoconductor Applications.

In the present work, we have investigated an organic semiconductor based on tris(8-hydroxyquinoline) aluminum (AlQ3) doped with tetracyanoquinodimethane (TCNQ), which can be used as an organic photoconductor. DFT calculations were carried out to optimize the structure of semiconductor species and to obtain related constants in order to compare experimental and theoretical results. Subsequently, AlQ3-TCNQ films with polypyrrole (Ppy) matrix were fabricated, and they were morphologically and mechanically characterized by Scanning Electron Microscopy, X-ray diffraction and Atomic Force Microscopy techniques. The maximum stress for the film is 8.66 MPa, and the Knoop hardness is 0.0311. The optical behavior of the film was also analyzed, and the optical properties were found to exhibit two indirect transitions at 2.58 and 3.06 eV. Additionally, photoluminescence measurements were carried out and the film showed an intense visible emission in the visible region. Finally, a photoconductor was fabricated and electrically characterized. Applying a cubic spline approximation to fit cubic polynomials to the J-V curves, the ohmic to SCLC transition voltage VON and the trap-filled-limit voltage VTFL for the device were obtained. Then, the free carrier density and trap density for the device were approximated to n0=4.4586×10191m3 and Nt=3.1333×10311m3, respectively.

Influence of the Polymeric Matrix on the Optical and Electrical Properties of Copper Porphine-Based Semiconductor Hybrid Films.

In this study, we assessed the electrical and optical behavior of semiconductor hybrid films fabricated from octaethyl-21H,23H-porphine copper (CuP), embedded in polymethylmethacrylate (PMMA), and polystyrene (PS). The hybrid films were characterized structurally and morphologically using infrared spectroscopy (IR), atomic force microscopy (AFM), scanning electron microscopy (SEM), and X-ray diffraction (XRD). Subsequently, the PMMA:CuP and PS:CuP hybrid films were evaluated optically by UV-vis spectroscopy, as well as electrically, with the four-point collinear method. Hybrid films present a homogeneous and low roughness morphology. In addition, the PS matrix allows the crystallization of the porphin, while PMMA promotes the amorphous structure in CuP. The polymeric matrix also affects the optical behavior of the films, since the smallest optical gap (2.16 eV) and onset gap (1.89 eV), and the highest transparency are obtained in the film with a PMMA matrix. Finally, the electrical behavior in hybrid films is also affected by the matrix: the largest amount of current carried is approximately 0.01 A for the PS:CuP film, and 0.0015 A for the PMMA:CuP film. Thanks to the above properties, hybrid films are promising candidates for use in optoelectronic devices.

Fabrication and Characterization of Hybrid Films Based on NiFe2O4 Nanoparticles in a Polymeric Matrix for Applications in Organic Electronics.

Hybrid films for applications in organic electronics from NiFe2O4 nanoparticles (NPs) in poly(3,4 ethylene dioxythiophene), poly(4-styrenesulfonate) (PEDOT:PSS), and poly(methyl methacrylate) (PMMA) were fabricated by the spin-coating technique. The films were characterized by infrared spectroscopy, atomic force microscopy, scanning electron microscopy, and energy-dispersive spectroscopy to subsequently determine their optical parameters. The electronic transport of the hybrid films was determined in bulk heterojunction devices. The presence of NiFe2O4 NPs reinforces mechanical properties and increases transmittance in the hybrid films; the PEDOT:PSS-NiFe2O4 NPs film is the one that has a maximum stress of 28 MPa and a Knoop hardness of 0.103, while the PMMA-NiFe2O4 NPs film has the highest transmittance of (87%). The Tauc band gap is in the range of 3.78-3.9 eV, and the Urbach energy is in the range of 0.24-0.33 eV. Regarding electrical behavior, the main effect is exerted by the matrix, although the current carried is of the same order of magnitude for the two devices: glass/ITO/polymer-NiFe2O4 NPs/Ag. NiFe2O4 NPs enhance the mechanical, optical, and electrical behavior of the hybrid films and can be used as semi-transparent anodes and as active layers.

Pentacoordinated Organotin(IV) Complexes as an Alternative in the Design of Highly Efficient Optoelectronic and Photovoltaic Devices: Synthesis and Photophysical Characterization.

The synthesis of four pentacoordinated organotin(IV) complexes prepared in a one-pot reaction from 2-hydroxy-1-naphthaldehyde, 2-amino-3-hydroxypyridine and organotin oxides is reported. The complexes were characterized by UV-Vis, IR, MS, 1H, 13C and 119Sn NMR techniques. The compound based on 2,2-diphenyl-6-aza-1,3-dioxa-2-stannanaphtho[1,2-h]pyrido[3,2-d]cyclononene revealed the formation of a monomeric complex with a distorted five-coordinated molecular geometry intermediate between the trigonal bipyramidal and square pyramidal. In order to find possible applications in photovoltaic devices, hybrid films of organotin(IV) complexes embedded in poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) with graphene were deposited. The topographic and mechanical properties were examined. The film with the complex integrated into the cyclohexyl substituent has high plastic deformation, with a maximum stress of 1.69 × 107 Pa and a Knoop hardness of 0.061. The lowest values of 1.85 eV for the onset gap and 3.53 eV for the energy gap were obtained for the heterostructure having the complex with the phenyl substituent. Bulk heterojunction devices were fabricated; these devices showed ohmic behavior at low voltages and a space-charge-limited current (SCLC) conduction mechanism at higher voltages. A value of 0.02 A was found for the maximum carried current. The SCLC mechanism suggests hole mobility values of between 2.62 × 10-2 and 3.63 cm2/V.s and concentrations of thermally excited holes between 2.96 × 1018 and 4.38 × 1018 m-3.

Influence of the Coordinated Ligand on the Optical and Electrical Properties in Titanium Phthalocyanine-Based Active Films for Photovoltaics.

Tetravalent titanyl phthalocyanine (TiOPc) and titanium phthalocyanine dichloride (TiCl2Pc) films were deposited via the high-vacuum thermal evaporation technique and subsequently structurally and morphologically characterized, to be later evaluated in terms of their optoelectronic behavior. The IR and UV-vis spectroscopy of the films displayed α- and ß-phase signals in TiOPc and TiCl2Pc. Additionally, the UV-vis spectra displayed the B and Q bands in the near-UV region of 270-390 nm and in the visible region between 600 and 880 nm, respectively. The films presented the onset gap (~1.30 eV) and the optical gap (~2.85 eV). Photoluminescence emission bands at 400-600 nm and 800-950 nm are present for the films. One-layer ITO/TiCl2Pc or TiOPc/Ag and two-layer ITO/PEDOT:PSS/TiCl2Pc or TiOPc/Ag planar heterojunction devices with poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS) deposited by the spin-coating technique were constructed. In these devices, an electrical activation energy between 0.18 and 0.21 eV and a refractive index between 1.14 and 1.44 were obtained. The devices presented a change in the J-V curves for the illuminated and darkness conditions, as much as 1.5 × 102 A/cm2, related to the device architecture and phthalocyanine ligand. The latter indicates that the films should be used for optoelectronic applications.

Fabrication and Characterization of Hybrid Hole Transporting Layers of Organotin (IV) Semiconductors within Molybdenum Oxide/Poly(3,4-ethylenedyoxithiophene) Polystyrene Sulfonate Matrices.

The hybrid film of molybdenum oxide (MoO3) and poly(3,4-ethylenedyoxithiophene) polystyrene sulfonate (PEDOT:PSS) is a promising candidate for use as hole transport layer (HTL) in low-cost devices. A fast, controllable and economic process was used to fabricate high-performance HTLs by adding organotin (IV) semiconductors to the MoO3/PEDOT:PSS films. These hybrid films were fabricated by spin-coating and the MoO3/PEDOT:PSS-organotin (IV) complex films were characterized by infrared spectroscopy, scanning electron microscopy (SEM) and atomic force microscopy (AFM). Some mechanical and optical properties of the hybrid films were obtained and, to electrically characterize the hybrid films, hetero-junction glass/ITO/MoO3/PEDOT:PSS-organotin (IV) complex/Ag devices were prepared. Regarding the mechanical properties, the films have high plastic deformation, with a maximum stress of around 40 MPa and a Knoop hardness of 0.14. With respect to optical behavior, the films showed high transparency, with optical gap values between 2.8 and 3.5 eV and an onset gap of around 2.4 eV, typical of semiconductors. Additionally, the films in their respective devices show ambipolar and ohmic behavior with small differences depending on the substituent in organotin (IV) semiconductors. The MoO3/PEDOT:PSS matrix defines the mechanical behavior of the films and the tin complexes contribute their optoelectronic properties.

Efficient Film Fabrication and Characterization of Poly(3,4-ethylenedioxythiophene):Poly(styrenesulfonate) (PEDOT:PSS)-Metalloporphine Nanocomposite and Its Application as Semiconductor Material.

The use of composite films with semiconductor behavior is an alternative to enhance the efficiency of optoelectronic devices. Composite films of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) and metalloporphines (MPs; M = Co, Cu, Pd) have been prepared by spin-coating. The PEDOT:PSS-MP films were treated with isopropanol (IPA) vapor to modify the polymer structure from benzoid to quinoid. The quinoid structure promotes improvements in the optical and electrical behavior of films. The composite films' morphology and structure were characterized using infrared and Raman spectroscopy, scanning electron microscopy (SEM), and atomic force microscopy (AFM). Composite films were analyzed for their optical behavior by ultraviolet-visible spectroscopy: at λ < 450 nm, the films become transparent, indicating the capacity to be used as transparent electrodes in optoelectronic devices. At λ ≥ 450 nm, the absorbance in the films increased significantly. The CoP showed an 8 times larger current density compared to the CuP. A light induced change in the J-V curves was observed, and it is larger for the CoP. The conductivity values yielded between 1.23 × 102 and 1.92 × 103 Scm-1 and were higher in forward bias.

Innovative Implementation of an Alternative Tetrathiafulvene Derivative for Flexible Indium Phthalocyanine Chloride-Based Solar Cells.

Herein, we present the photovoltaic properties of an indium phthalocyanine chloride (InClPc)-based flexible planar heterojunction device, introducing the tetrathiafulvene derivative 4,4'-Dimethyl-5,5'-diphenyltetrathiafulvalene (DMDP-TTF) as the electron donor layer. UV-vis spectroscopy is widely used to characterize the electronic behavior of the InClPc/DMDP-TTF active layer. The interactions between the DMDP-TTF and phthalocyanine are predominantly intermolecular and the result of the aggregation of InClPc. Tauc bands were obtained at 1.41 and 2.8 eV; these energy peaks can result in a charge transfer ascribed to the transition from the DMDP-TTF to π-orbitals that are associated with the phthalocyanine ring or even with the same indium metal center. Conductive carbon (CC) was used for the cathode. Finally, an indium tin oxide (ITO)/InClPc/DMDP-TTF/CC device was fabricated by high-vacuum thermal evaporation onto a flexible substrate and the photovoltaic properties were evaluated. A diode type I-V curve behavior was observed with a photovoltaic response under illumination. A generated photocurrent of 2.25 × 10-2 A/cm2 was measured. A conductivity reduction with the incident photon energy from 1.61 × 10-7 S/cm to 1.43 × 10-7 S/cm is observed. The diode resistance presents two different behaviors with the applied voltage. A VTFL of 5.39 V, trap concentration of 7.74 × 1016 cm-3, and carrier mobility values of ~10-6 cm2/V s were calculated, showing improved characteristics via the innovative implementation of an alternative TTF-derivative, indicating that the DMDP-TTF has a strong interaction at the junction where free available states are increased, thus inducing higher mobilities due to the large number of π-orbitals, which indicates the feasibility of its use in solar cells technology.

Design of Promising Heptacoordinated Organotin (IV) Complexes-PEDOT: PSS-Based Composite for New-Generation Optoelectronic Devices Applications.

The synthesis of four mononuclear heptacoordinated organotin (IV) complexes of mixed ligands derived from tridentated Schiff bases and pyrazinecarboxylic acid is reported. This organotin (IV) complexes were prepared by using a multicomponent reaction, the reaction proceeds in moderate to good yields (64% to 82%). The complexes were characterized by UV-vis spectroscopy, IR spectroscopy, mass spectrometry, 1H, 13C, and 119Sn nuclear magnetic resonance (NMR) and elemental analysis. The spectroscopic analysis revealed that the tin atom is seven-coordinate in solution and that the carboxyl group acts as monodentate ligand. To determine the effect of the substituent on the optoelectronic properties of the organotin (IV) complexes, thin films were deposited, and the optical bandgap was obtained. A bandgap between 1.88 and 1.98 eV for the pellets and between 1.23 and 1.40 eV for the thin films was obtained. Later, different types of optoelectronic devices with architecture "contacts up/base down" were manufactured and analyzed to compare their electrical behavior. The design was intended to generate a composite based on the synthetized heptacoordinated organotin (IV) complexes embedded on the poly(3,4-ethylenedyoxithiophene)-poly(styrene sulfonate) (PEDOT:PSS). A Schottky curve at low voltages (<1.5 mV) and a current density variation of as much as ~3 × 10-5 A/cm2 at ~1.1 mV was observed. A generated photocurrent was of approximately 10-7 A and a photoconductivity between 4 × 10-9 and 7 × 10-9 S/cm for all the manufactured structures. The structural modifications on organotin (IV) complexes were focused on the electronic nature of the substituents and their ability to contribute to the electronic delocalization via the π system. The presence of the methyl group, a modest electron donor, or the non-substitution on the aromatic ring, has a reduced effect on the electronic properties of the molecule. However, a strong effect in the electronic properties of the material can be inferred from the presence of electron-withdrawing substituents like chlorine, able to reduce the gap energies.

A Comparative Study of the Semiconductor Behavior of Organic Thin Films: TCNQ-Doped Cobalt Phthalocyanine and Cobalt Octaethylporphyrin.

The structure formed by cobalt phthalocyanine (CoPc) and cobalt octaethylporphyrin (CoOEP) with electron-acceptor tetracyano-π-quinodimethane (TCNQ), was studied by Density Functional Theory (DFT) methods. According to theoretical calculations, both cobalt systems can establish dispersion forces related to TCNQ and also in both cases the link between them is built by means of hydrogen bonds. Based on the results of these DFT calculations, we developed experimental work: the organic semiconductors were doped, and the thermal evaporation technique was used to prepare semiconductor thin films of such compounds. The structure of the films was studied by FTIR and Raman spectroscopy. The optical properties of the CoPc-TCNQ and CoOEP-TCNQ films were investigated by means of UV-Vis measurements. The results obtained were used to estimate the type of transitions and the optical bandgap. The results were compared to the previously calculated theoretical bandgap. The CoOEP-TCNQ film presented the smallest theoretical and experimental bandgap. Finally, the electrical properties of the organic semiconductors were evaluated from a PET (polyethylene terephthalate)/indium tin oxide (ITO)/cobalt macrocycle-TCNQ/silver (Ag) device we prepared. The CoOEP-TCNQ-based device showed an ohmic behavior. The device manufactured from CoPc-TCNQ also showed an ohmic behavior at low voltages, but significantly changed to SCLC (space-charge limited conductivity) at high voltage values.

Innovative Incorporation of Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) as Hole Carrier Transport Layer and as Anode for Organic Solar Cells Performance Improvement.

In this work, we present a comparative study of benzoid poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) as electrode and as hole carrier transport layer (HTL) in the manufacture of organic photovoltaic devices using Fischer metal-carbene complexes. The performance of the different devices was evaluated for solar cell applications. Scanning electronic microscopy (SEM) and X-ray diffraction (XRD) were used to characterize the thin films that integrated the devices. A more ordered and crystallized active film microstructure is observed when using benzoid PEDOT:PSS as nucleation layer. The optical gap for both direct and indirect electronic transitions was evaluated from ultraviolet-visible spectroscopy data (UV-vis), as well as the absorption coefficient (α), and the values are in the range of 2.10-2.93 eV. Photovoltaic devices with conventional architecture, using two different chromium carbenes as active layers, were manufactured, and their electrical behavior was studied. The devices were irradiated with different wavelengths between the infrared and ultraviolet regions of the electromagnetic spectrum. Using the PEDOT:PSS film as hole carrier transport layer (HTL) decreases the slope on the ohmic and space charge limited current (SCLC) regions and eliminates the trap-charge limited current (T-CLC) mechanism. Furthermore, a saturation current of ~1.95 × 10-10 A and higher current values ~1.75 × 10-2 A at 4 V, ~4 orders in magnitude larger were observed. The PEDOT:PSS films as HTL in the devices reduced the injection barrier, thus showing a better performance than as anodes in this type of organic solar cells.

Comparative Study of Conduction Mechanisms in Disodium Phthalocyanine-Based Organic Diodes for Flexible Electronics.

In the current work, flexible diodes with flat heterojunction and dispersed heterojunction architecture were manufactured with to study the behavior of thin films of disodium phthalocyanine (Na2Pc). The thin film devices, using the electronic acceptor tetracyano-π-quinodimethane (TCNQ), were fabricated by high-vacuum thermal evaporation with annealing post-treatment in order to optimize their behavior. Theoretical calculations based on density functional theory (DFT) with dispersion force analysis were carried out in order to simulate molecular interactions and to establish the nature of the weak interactions between the Na2Pc and TCNQ fragments. In the optimized structure of the coupled Na2Pc-TCNQ, the electronic relationship between phthalocyanine and TCNQ was observed to be through hydrogen bonds with bond lengths of 2.94 and 3.13 Å. Dispersed heterojunction device current density values were considerably larger than those of the flat heterojunction device. Barrier heights of 1.024 and 0.909 eV and charge mobilities of 10-10 and 10-9 m2/Vs for the flat heterojunction device and the dispersed heterojunction device, respectively, were observed. A small effect was observed on the electrical properties by thermal annealing on the flat heterojunction device. The threshold voltage decreased from 1.203 to 1.147 V and φb decreased by 0.001 eV.

Fabrication of Hybrid Membranes Containing Nylon-11 and Organic Semiconductor Particles with Potential Applications in Molecular Electronics.

Chemical degradation is a major disadvantage in the development of organic semiconductors. This work proposes the manufacture and characterization of organic semiconductor membranes in order to prevent semiconductor properties decreasing. Semiconductor membranes consisting of Nylon-11 and particles of π-conjugated molecular semiconductors were manufactured by high-vacuum evaporation followed by thermal relaxation. Initially, and with the aim of obtaining semiconductor particles, bulk heterojunction (BHJ) was carried out using green chemistry techniques between the zinc phthalocyanine (ZnPc) and the zinc hexadecafluoro-phthalocyanine (F16ZnPc) as n-type molecular semiconductors with the p-type molecular semiconductor dibenzotetrathiafulvalene (DBTTF). Consequently, the π-conjugated semiconductors particles were embedded in a Nylon-11 matrix and characterized, both structurally and considering their optical and electrical properties. Thin films of these materials were manufactured in order to comparatively study the membranes and precursor semiconductor particles. The membranes presented bandgap (Eg) values that were lower than those obtained in the films, which is an indicator of an improvement in their semiconductor capacity. Finally, the membranes were subjected to accelerated lighting conditions, to determine the stability of the polymer and the operating capacity of the membrane. After fatigue conditions, the electrical behavior of the proposed semiconductor membranes remained practically unaltered; therefore, they could have potential applications in molecular electronics. The chemical stability of membranes, which did not degrade in their polymer compound, nor in the semiconductor, was monitored by IR spectroscopy.

Nanostructural Modification of PEDOT:PSS for High Charge Carrier Collection in Hybrid Frontal Interface of Solar Cells.

In this work, we propose poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) material to form a hybrid heterojunction with amorphous silicon-based materials for high charge carrier collection at the frontal interface of solar cells. The nanostructural characteristics of PEDOT:PSS layers were modified using post-treatment techniques via isopropyl alcohol (IPA). Atomic force microscopy (AFM), Fourier-transform infrared (FTIR), and Raman spectroscopy demonstrated conformational changes and nanostructural reorganization in the surface of the polymer in order to tailor hybrid interface to be used in the heterojunctions of inorganic solar cells. To prove this concept, hybrid polymer/amorphous silicon solar cells were fabricated. The hybrid PEDOT:PSS/buffer/a-Si:H heterojunction demonstrated high transmittance, reduction of electron diffusion, and enhancement of the internal electric field. Although the structure was a planar superstrate-type configuration and the PEDOT:PSS layer was exposed to glow discharge, the hybrid solar cell reached high efficiency compared to that in similar hybrid solar cells with substrate-type configuration and that in textured well-optimized amorphous silicon solar cells fabricated at low temperature. Thus, we demonstrate that PEDOT:PSS is fully tailored and compatible material with plasma processes and can be a substitute for inorganic p-type layers in inorganic solar cells and related devices with improvement of performance and simplification of fabrication process.

New Approaches in Flexible Organic Field-Effect Transistors (FETs) Using InClPc.

Organic semiconductor materials have been the center of attention because they are scalable, low-cost for device fabrication, and they have good optical properties and mechanical flexibility, which encourages their research. Organic field-effect transistors (OFETs) have potential applications, specifically in flexible and low-cost electronics such as portable and wearable technologies. In this work we report the fabrication of an InClPc base flexible bottom-gate/top-contact OFET sandwich, configured by the high-evaporation vacuum technique. The gate substrate consisted of a bilayer poly(ethylene terephthalate) (PET) and indium-tin oxide (ITO) with nylon 11/Al2O3. The device was characterized by different techniques to determine chemical stability, absorbance, transmittance, bandgap, optical properties, and electrical characteristics in order to determine its structure and operational properties. IR spectroscopy verified that the thin films that integrated the device did not suffer degradation during the deposition process, and there were no impurities that affected the charge mobility in the OFET. Also, the InClPc semiconductor IR fingerprint was present on the deposited device. Surface analysis showed evidence of a nonhomogeneous film and also a cluster deposition process of the InClPc. Using the Tauc model, the device calculated indirect bandgap transitions of approximately 1.67 eV. The device's field effect mobility had a value of 36.2 cm2 V-1 s-1, which was superior to mobility values obtained for commonly manufactured OFETs and increased its potential to be used in flexible organic electronics. Also, a subthreshold swing of 80.64 mV/dec was achieved and was adequate for this kind of organic-based semiconductor device. Therefore, semiconductor functionality is maintained at different gate voltages and is transferred accurately to the film, which makes these flexible OFETs a good candidate for electronic applications.

CuPc: Effects of its Doping and a Study of Its Organic-Semiconducting Properties for Application in Flexible Devices.

This study refers to the doping of organic semiconductors by a simple reaction between copper phthalocyanine and tetrathiafulvalene or tetracyanoquinodimethane. The semiconductor films of copper phthalocyanine, doped with tetrathiafulvalene donor (CuPc-TTF) and tetracyanoquinodimethane acceptor (CuPc-TCNQ) on different substrates, were prepared by vacuum evaporation. The structure and morphology of the semiconductor films were studied with infrared (IR) spectroscopy, X-ray diffraction (XRD), and scanning electron microscopy (SEM). The absorption spectra for CuPc-TTF, recorded in the 200⁻900 nm UV⁻vis region for the deposited films, showed two peaks: a high energy peak, around 613 nm, and a second one, around 695 nm, with both peaks corresponding to the Q-band transition of the CuPcs. From the spectra, it can also be seen that CuPc-TTF has a B-band at around 330 nm and has a bandgap of approximately 1.4 eV. The B-band in the CuPc-TCNQ spectrum is quite similar to that of CuPc-TTF; on the other hand, CuPc-TCNQ does not include a Q-band in its spectrum and its bandgap value is of approximately 1.6 eV. The experimental optical bandgaps were compared to the ones calculated through density functional theory (DFT). In order to prove the effect of dopants in the phthalocyanine semiconductor, simple devices were manufactured and their electric behaviors were evaluated. Devices constituted by the donor-acceptor active layer and by the hollow, electronic-transport selective layers, were deposited on rigid and flexible indium tin oxide (ITO) substrates by the vacuum sublimation method. The current⁻voltage characteristics of the investigated structures, measured in darkness and under illumination, show current density values of around 10 A/cm² for the structure based on a mixed-PET layer and values of 3 A/cm² for the stacked-glass layered structure. The electrical properties of the devices, such as carrier mobility (µ) were obtained from the J⁻V characteristics. The mobility values of the devices on glass were between 1.59 × 108 and 3.94 × 1010 cm²/(V·s), whereas the values of the devices on PET were between 1.84 × 108 and 4.51 × 108 cm²/(V·s). The different behaviors of the rigid and flexible devices is mainly due to the effect of the substrate.

Multifunctional Fischer Aminocarbene Complexes as Hole or Electron Transporting Layers in Organic Solar Cells.

A new series of Fischer carbenes have been synthetized and examined as hole-transporting or electron-transporting layers (HTLs or ETLs) in the fabrication of organic solar cells (OSCs). The synthesis of three Fischer aminocarbene complexes with the general formula [Cr(CO)5{C(NHCH2)Ar}] (Ar = 2-pyridyl (3a), 3-pyridyl (3b) and 4-pyridyl (3c)) is reported. The molecular structure of complex 3b has been confirmed by X-ray analysis. In order to study the possible applications of the three Fischer aminocarbenes in OSCs, thin films of these complexes were prepared using a vacuum deposition process. These organometallic films were chemically and morphologically characterized by IR spectroscopy, SEM, AFM and XRD. According to the IR and Tauc analysis, the vacuum deposition process generates thin films free of impurities with an activation energy of 4.0, 2.7 and 2.1 eV for 3a, 3b y 3c, respectively. The UV-vis spectra of the amorphous aminocarbene films show that they are practically transparent to the visible radiation of the electromagnetic spectrum. This is due to the fact that their absorption is located mainly in the ultraviolet range. Two OSCs with bulk-heterojunction configuration were manufactured in order to prove the use of the aminocarbenes as ETL o HTL. The aminocarbene [Cr(CO)5{C(NHCH2) 4-pyridyl}] (3c) proved to be suitable as ETL with a fill factor (FF) of 0.23 and a short circuit current density (JSC) of 1.037 mA/cm².