RESUMEN

AgSbS2-xSex is a promising light-harvesting material for thin film solar cells, characterized by nontoxicity, high chemical stability, and excellent optoelectronic properties. However, the complex chemical composition of AgSbS2-xSex poses significant challenges to thin film preparation, giving rise to an intensive dependence on multi-step preparation methods. Herein, a hydrothermal method is developed for depositing AgSbS2-xSex films and achieves one-step preparation of this kind of thin film materials for the first time. This method can provide sufficient energy for atomic nucleation and adsorption on the substrate surface to promote nuclei aggregation and grow into films. Meanwhile, it achieves control of the chemical kinetics of the deposition solution by introducing EDTA-2Na as an additive and suppressing the enrichment of Ag2Se impurities at the substrate interface. As a result, a high-purity AgSbS2-xSex film with compact and flat morphology is prepared and assembled into solar cells. The device delivers a power conversion efficiency of 3.04% under standard illumination, which is currently the highest efficiency for AgSbS2-xSex solar cells fabricated by the one-step method. This study provides a facile and promising method for the controllable preparation of high-quality AgSbS2-xSex thin films and promoting their application in solar cells.

RESUMEN

Two-dimensional van der Waals heterostructures have good application prospects in solar energy conversion due to their excellent optoelectronic performance. In this work, the electronic structures of Sc2CF2/Sc2CCl2, Sc2CF2/Sc2CBr2, and Sc2CCl2/Sc2CBr2 heterostructures, as well as their properties in photocatalysis and photovoltaics, have been comprehensively studied using the first-principles method. Firstly, both of the three thermodynamically and dynamically stable heterostructures are found to have type-II band alignment with band gap values of 0.58 eV, 0.78 eV, and 1.35 eV. Meanwhile, the photogenerated carriers in Sc2CF2/Sc2CCl2 and Sc2CF2/Sc2CBr2 heterostructures are predicated to follow the direct Z-scheme path, enabling their abilities for water splitting. As for the Sc2CCl2/Sc2CBr2 heterostructure, its photovoltaic conversion efficiency is estimated to be 20.78%. Significantly, the light absorption coefficients of Sc2CF2/Sc2CCl2, Sc2CF2/Sc2CBr2, and Sc2CCl2/Sc2CBr2 heterostructures are enhanced more than those of the corresponding monolayers. Moreover, biaxial strains have been observed to considerably tune the aforementioned properties of heterostructures. All the theoretical results presented in this work demonstrate the application potential of Sc2CX2/Sc2CY2 (X, Y = F, Cl, Br) heterostructures in photocatalysis and photovoltaics.

RESUMEN

Organometallic lead halide perovskite powders have gained widespread attention for their intriguing properties, showcasing remarkable performance in the optoelectronic applications. In this study, formamidinium lead iodide (α-FAPbI3) microcrystals (MCs) is synthesized using retrograde solubility-driven crystallization. Additionally, methylammonium lead bromide (MAPbBr3) and cesium lead iodide (δ-CsPbI3) MCs are prepared through a sonochemical process, employing low-grade PbX2 (X = I & Br) precursors and an eco-friendly green solvent (γ-Valerolactone). The study encompasses an analysis of the structural, optical, thermal, elemental, and morphological characteristics of FAPbI3, MAPbBr3, and CsPbI3 MCs. Upon analysing phase stability, a phase transition in FAPbI3 MCs is observed after 2 weeks. To address this issue, a powder-based mechanochemical method is employed to synthesize stable mixed cation perovskite powders (MCPs) by subjecting FAPbI3 and MAPbBr3 MCs with varying concentrations of CsPbI3. Furthermore, the performance of mixed cation perovskites are examined using the Solar Cell Capacitance Simulator (SCAPS-1D) software. The impact of cesium incorporation in the photovoltaic characteristics is elucidated. All mixed cation absorbers exhibited optimal device performance with a thickness ranging between 0.6-1.5 µm. It's worth noting that the MCPs exhibit impressive ambient stability, remaining structurally intact and retaining their properties without significant degradation for 70 days of ambient exposure.

RESUMEN

A total of 87 new monoclinic silicon allotropes are systematically scanned by a random strategy combined with group and graph theory and high-throughput calculations. The new allotropes include 13 with a direct or quasi-direct band gap and 12 with metallic characteristics, and the rest are indirect band gap semiconductors. More than 30 of these novel monoclinic Si allotropes show bulk moduli greater than or equal to 80 GPa, and three of them show even greater bulk moduli than diamond Si. Only two of the new Si allotropes show a greater shear modulus than diamond Si. The crystal structures, stability (elastic constants, phonon spectra), mechanical properties, electronic properties, effective carrier masses and optical properties of all 87 Si monoclinic allotropes are studied in detail. The electron effective masses ml of five of the new allotropes are smaller than that of diamond Si. All of these novel monoclinic Si allotropes show strong absorption in the visible spectral region. Taken together with their electronic band gap structures, this makes them promising materials for photovoltaic applications. These investigations greatly enrich the current knowledge of the structure and electronic properties of silicon allotropes.

Asunto(s)

RESUMEN

In this theoretical research, four donor molecules with diphenylamine subphthalocyanine (SubPc) as a common core, flanked with various electron-withdrawing groups at the central position containing Methyl-2-cyanoacrylate in C1, 3-methyl-5-methylene-2-thioxothiazolidin-4-one in C2, 2-(2-methylene-1-oxo-1H-inden-3(2H)-ylidene) malononitrile in C3, and Methyl-2-(5-methylene-4-oxo-2-thioxothiazoliden-3-yl) acetate in C4, have been designed. To analyze photovoltaic applications of all the studied molecules (C1-C4), quantum chemical simulations i.e., absorption profiles, frontier molecular orbitals (FMOs), the density of states (DOS), transition density matrix, and open-circuit voltage, have been performed availing DFT and TD-DFT approach with selected B3LYP functional /6-31G (d,p) level of theory. Among all the substituted molecules, C3 revealed highest molar absorption coefficient (601 nm), efficient electron density transfer in FMOs, and lowest energy band gap (1.70 eV) owing to the elongated conjugation along with the compelling electron-withdrawing nature of its axial acceptor moiety. All investigated molecules showed profound peaks in the visible region of the absorption spectrum as well as had low electron and hole mobilities in contrast to that of the reference (R) molecule. The observed binding energies (in electron-volt) of C2 (0.67), C3 (0.10), and C4 (0.47) molecules are found to be lower than R. Hence, these findings reveal that all designed candidates (C1-C4) could be effective and favorable applicants to enhance the energy efficiency of small molecule (SM) based organic solar cells (OSCs).

Asunto(s)

RESUMEN

Among conductive polymers, PEDOT films find the widest application in electronics. For photovoltaic applications, studies of their optical properties, stability, and electrical conductivity are of greatest interest. However, the PEDOT:PSS transport layers, when used in photovoltaic cells, have a high electrical resistance, which prevents solar cells from increasing their efficiency. One of the promising ways to improve their electrical properties is the use of composite materials based on them, in which the conductivity can be increased by introducing various additives. In this work, conductive polymer films PEDOT:PSS (poly (3,4-ethylenedioxythiophene):polystyrene sulfonate acid) doped with a number of amines (Pentylamine, Octylamine, Diethylamine, Aniline with carbon nanotubes) were obtained and studied. It is shown that, depending on the concentration of dopants, the electrical conductivity of PEDOT:PSS films can be significantly improved. In this case, the light transmission of the films practically does not change. The process of improving the conductivity by treating the surface of the finished film with amines, followed by heat treatment, was studied. It is assumed that the improvement in conductivity is the result of the self-assembly of monolayers of organic molecules on the surface of the PEDOT:PSS film leading to its p-doping due to intermolecular interaction.

RESUMEN

Different functionalities of materials based on indium tin oxide and fabricated at soft conditions were investigated with the goal of being used in a next generation of solar photovoltaic devices. These thin films were fabricated in a commercial UNIVEX 450B magnetron sputtering. The first studied functionality consisted of an effective n-type doped layer in an n-p heterojunction based on p-type crystalline silicon. At this point, the impact of the ITO film thickness (varied from 45 to 140 nm) and the substrate temperature (varied from room temperature to 250 °C) on the heterojunction parameters was evaluated separately. To avoid possible damages in the heterojunction interface, the applied ITO power was purposely set as low as 25 W; and to minimize the energy consumption, no heat treatment process was used. The second functionality consisted of indium-saving transparent conductive multicomponent materials for full spectrum applications. This was carried out by the doping of the ITO matrix with transition metals, as titanium and zinc. This action can reduce the production cost without sacrificing the optoelectronic film properties. The morphology, chemical, structural nature and optoelectronic properties were evaluated as function of the doping concentrations. The results revealed low manufactured and suitable films used successfully as conventional emitter, and near-infrared extended transparent conductive materials with superior performance that conventional ones, useful for full spectrum applications. Both can open interesting choices for cost-effective photovoltaic technologies.

RESUMEN

This work investigates the crystal structure, stability, mechanical properties, electronic properties, effective masses, and optical properties of Si-Ge alloys in theP-3m1 phase. The elastic constants and phonon spectra proven that the Si-Ge alloys in theP-3m1 phase have mechanical and dynamic stability. The bulk modulus, shear modulus and Young's modulus of Si-Ge alloys in theP-3m1 phase decrease with the increase of Ge composition, and the three-dimensional diagram of Young's modulus and effective mass show that the mechanical and transport properties have anisotropy. The Si12Ge12in thehP24 phase is a quasi-direct band gap semiconductor material with a band gap of 1.081 eV, while the Si30-xGexalloy (x= 6, 12, 18, 24) in thehP30 phase are all direct band gap semiconductor materials with the band gaps of 0.541 eV, 0.430 eV, 0.561 eV, and 0.387 eV, respectively. ThehP30-Si6Ge24has a very small effective electron mass. ThehP24-Si12Ge12show excellent absorptive capacity in the visible and infrared region region. Based on this work, Si-Ge alloys in theP-3m1 phase are promising materials for photovoltaic applications.

RESUMEN

In this study, high transparent thin films were prepared by radio frequency (RF) magnetron sputtering from a conventional solid state target based on ZnO:MgO:Al2O3 (10:2 wt %) material. The films were deposited on glass and silicon substrates at the different working pressures of 0.21, 0.61, 0.83 and 1 Pa, 300 °C and 250 W of power. X-ray diffraction patterns (XRD), atomic force microscopy (AFM), UV-vis absorption and Hall effect measurements were used to evaluate the structural, optical, morphological and electrical properties of thin films as a function of the working pressure. The optical properties of the films, such as the refractive index, the extinction coefficient and the band gap energy were systematically studied. The optical band gap of thin films was estimated from the calculated absorption coefficient. That parameter, ranged from 3.921 to 3.655 eV, was hardly influenced by the working pressure. On the other hand, the lowest resistivity of 8.8 × 10-2 Ω cm-1 was achieved by the sample deposited at the lowest working pressure of 0.21 Pa. This film exhibited the best optoelectronic properties. All these data revealed that the prepared thin layers would offer a good capability to be used in photovoltaic applications.

RESUMEN

Photovoltaic backsheets have considerable impact on the collective performance of solar cells. Material components should withstand certain temperatures and loads while maintaining high thermal stability under various weather conditions. Solar modules must demonstrate increased reliability, adequate performance, safety, and durability throughout the course of their lifetime. This work presents a novel solar module. The module consists of an innovative polyvinylidene fluoride-short sugar palm fiber (PVDF-SSPF) composite backsheet within its structure. It was electrically and thermally evaluated. The current-voltage characteristics (I-V) were obtained using the solar module analyzer, PROVA 210PV. A thermal evaluation was accomplished using a temperature device, SDL200. The thermal test consisted of two different assessments. The first targeted the surface and backsheet of the developed module to correlate their performance from within. The second assessment compared the thermal performance of the fabricated backsheet with the conventional one. Both tests were combined into a heatmap analysis to further understand the thermal performance. Results revealed that the developed module exhibited reasonable electrical efficiency, achieving appropriate and balanced I-V curves. PVDF-SSPF backsheets proved to be thermally stable by displaying less heat absorbance and better temperature shifts. Additional research efforts are highly encouraged to investigate other characteristics. To enhance performance, further analyses are needed such as the damp heat analysis, accelerated aging analysis, and heat dissipation phenomena.

RESUMEN

Photovoltaic module backsheets are characterized according to their thermal, optical, mechanical, and technical properties. This work introduces new fabricated backsheets for PV modules using polyvinylidene fluoride (PVDF) reinforced with short sugar palm fiber (SSPF) composites. The preparation of composites undergoes multiple phases of fabrication. Thermal, optical, and technical investigations of their properties were conducted. Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, in-situ scanning probe microscopy (SPM), dynamic mechanical analysis (DMA), thermal mechanical analysis (TMA), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and prolonged technical testing were accomplished to expansively understand the complex behavior of composites under various conditions. The optical properties of PV backsheets are critical components in determining the reflectance, absorbance, and transmittance of light. The PVDF-SSPF composites exhibited exceptional compatibility and thermal stability, further revealing a homogenous composite structure with enhanced interfacial bonding between the short fiber and polymer matrix.

RESUMEN

The properties of bulk compounds required to be suitable for photovoltaic applications, such as excellent visible light absorption, favorable exciton formation, and charge separation are equally essential for two-dimensional (2D) materials. Here, we systematically study 2D group IV-V compounds such as SiAs2 and GeAs2 with regard to their structural, electronic and optical properties using density functional theory (DFT), hybrid functional and Bethe-Salpeter equation (BSE) approaches. We find that the exfoliation of single-layer SiAs2 and GeAs2 is highly feasible and in principle could be carried out experimentally by mechanical cleavage due to the dynamic stability of the compounds, which is inferred by analyzing their vibrational normal mode. SiAs2 and GeAs2 monolayers possess a bandgap of 1.91 and 1.64 eV, respectively, which is excellent for sunlight harvesting, while the exciton binding energy is found to be 0.25 and 0.14 eV, respectively. Furthermore, band-gap tuning is also possible by application of tensile strain. Our results highlight a new family of 2D materials with great potential for solar cell applications.

RESUMEN

Two new heteroleptic iridium(III) complexes bearing an aryldiazoimidazole ligand are reported. These complexes differ structurally with respect to the protonation state of the imidazole ring, but can be independently accessed by varying the synthetic conditions. Their structures have been unequivocally confirmed by X-ray crystal structure analysis, with surprising differences in the structural parameters of the two complexes. The strongly absorbing nature of the free diazoimidazole ligand is enhanced in these iridium complexes, with the protonated cationic complex demonstrating extraordinarily strong panchromic absorption up to 700 nm. The absorption profile of the deprotonated neutral complex is blueshifted by about 100 nm and thus the interconversion between the two complexes as a function of the acidity/basicity of the environment can be readily monitored by absorption spectroscopy. Theoretical calculations revealed the origins of these markedly different absorption properties. Finally, the protonated analogue has been targeted as an acceptor material for organic photovoltaic (OPV) applications, and preliminary results are reported.

RESUMEN

In the present article we report enhanced light absorption, tunable size-dependent blue shift, and efficient electron-hole pairs generation in Ge nanoporous films (np-Ge) grown on Si. The Ge films are grown by sputtering and molecular beam epitaxy; subsequently, the nanoporous structure is obtained by Ge+ self-implantation. We show, by surface photovoltage spectroscopy measurements, blue shift of the optical energy gap and strong signal enhancement effects in the np-Ge films. The blue shift is related to quantum confinement effects at the wall separating the pore in the structure, the signal enhancement to multiple light-scattering events, which result in enhanced absorption. All these characteristics are highly stable with time. These findings demonstrate that nanoporous Ge films can be very promising for photovoltaic applications.

RESUMEN

Rocking curve imaging (projection and section X-ray topography) has been used to study the generation and propagation of defects at the junctions between and above the seed crystals in mono-like silicon ingots. The images of different kinds of defects such as precipitates, dislocations and twins in the integrated intensity, full width at half-maximum and peak position maps resulting from the experiment have been studied. The qualitative and quantitative information that can be extracted from these maps, in particular the contrast of the images of the various defects, is discussed. These defects have a detrimental effect on solar cell efficiency and their detailed investigation allows clues to be obtained in order to improve the growth process. This work shows that synchrotron X-ray diffraction imaging techniques, because of their high angular resolution (<10-4°) and large field of view (several mm2), constitute a powerful tool for investigating the initial stages of growth of directionally solidified mono-like silicon.