Solar Cell Applications Research Articles

Effect of Heterojunction Dynamics on Charge Transfer Mechanism in Type-II ZnS/MoS2 Nanocomposite

The development of novel nanocomposites holds immense potential for various applications in optoelectronics, catalysis, energy storage systems and photovoltaic applications. In this manuscript, the synthesis and comprehensive characterization of type-II ZnS/MoS2 nanocomposite synthesized by hydrothermal roue are reported. The synthesized nanocomposite was characterized by numerous analytical techniques to analyse its structural, morphological, optical, and electrochemical properties. XRD analysis revealed the presence of both ZnS and MoS2 phases in the nanocomposite, validating its successful formation. UV-visible spectroscopy (UV) was utilized to study its optical properties which revealed a band gap of 3.2 eV. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) imaging demonstrated the presence of large ZnS sheets with smaller nanoparticles of MoS2 dispersed over the surface, indicating the hierarchical structure of the composites. Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) were performed to evaluate the electrochemical performance and charge transfer dynamics of the nanocomposite. These techniques facilitated the investigation of their suitability for solar cells. CV analysis displayed prominent reduction peaks, indicating the presence of active electrochemical sites in the nanocomposites. Furthermore, it revealed diffusion-controlled behaviour which indicates the potential of the nanocomposite for efficient solar cells. EIS analysis revealed the presence of Warburg diffusion in the Nyquist plot which indicates the possibility of efficient charge transport and ion diffusion within the nanocomposites. This shows the suitability of nanocomposite material for solar cell applications.

Advancing Silver Bismuth Sulfide Quantum Dots for Practical Solar Cell Applications.

Colloidal quantum dots (CQDs) show unique properties that distinguish them from their bulk form, the so-called quantum confinement effects. This feature manifests in tunable size-dependent band gaps and discrete energy levels, resulting in distinct optical and electronic properties. The investigation direction of colloidal quantum dots (CQDs) materials has started switching from high-performing materials based on Pb and Cd, which raise concerns regarding their toxicity, to more environmentally friendly compounds, such as AgBiS2. After the first breakthrough in solar cell application in 2016, the development of AgBiS2 QDs has been relatively slow, and many of the fundamental physical and chemical properties of this material are still unknown. Investigating the growth of AgBiS2 QDs is essential to understanding the fundamental properties that can improve this material's performance. This review comprehensively summarizes the synthesis strategies, ligand choice, and solar cell fabrication of AgBiS2 QDs. The development of PbS QDs is also highlighted as the foundation for improving the quality and performance of AgBiS2 QD. Furthermore, we prospectively discuss the future direction of AgBiS2 QD and its use for solar cell applications.

Ab Initio Study of Structural, Electronic, Optical, and Thermoelectric Properties of Cs2(Li/Na)GaI6 for Green Energy Applications

The recent year has witnessed a flurry of activities in investigating the promising electronic, optical, and transport properties of lead‐free double perovskite halides. In the present work, the structural, electronic, optical, and transport properties of Cs2(Li/Na)GaI6 are carefully examined. The predicted negative formation energy, absence of imaginary frequency in the phonon spectra, and ab‐initio molecular dynamics calculations show that they are thermodynamically stable. Additionally, electronic studies employing generalized gradient approximation (GGA)–Perdew–Burke–Ernzerhof (PBE) + modified Becke‐Johnson + spin‐orbit coupling reveal that Cs2(Li/Na)GaI6 exhibits a direct bandgap, with values of 1.24 eV for Cs2LiGaI6 and 1.39 eV for Cs2NaGaI6. The exceptional optical properties, including a high absorption coefficient (105 cm−1) and excellent optical conductivity with low reflectivity across the entire UV–visible range, indicate that Cs2(Li/Na)GaI6 are promising materials for solar cell applications. Moreover, the ultralow thermal conductivity, high Seebeck coefficient, and substantial electrical conductivity of Cs2(Li/Na)GaI6 result in a high figure of merit over the temperature range of 200–600 K. Thus, Cs2(Li/Na)GaI6 shows strong potential as both photovoltaic and thermoelectric materials.

Direct C–H Arylation-Derived Oligomeric Building Blocks Incorporated into Conjugated Polymers for Organic Solar Cell Applications

Direct C–H Arylation-Derived Oligomeric Building Blocks Incorporated into Conjugated Polymers for Organic Solar Cell Applications

Comparative examination of both spectral properties and hybrid solar cell application of 2,4,6-trimethoxyphenoxy substituted phthalocyanine dyes

In this study, novel octa 2,4,6-trimethoxyphenoxy substituted phthalocyanines, and tetra chloro and tetra 2,4,6-trimethoxyphenoxy substituted phthalocyanines were synthesized, characterized, examined their spectral properties comparatively and investigated of hybrid solar cell application of them. The spectral characterizations can be performed for all phthalocyanine compounds, solar cell application was only possible for tetra chloro tetra 2,4,6-trimethoxyphenoxy substituted phthalocyanines, the others phthalocyanines not due to their low yield.Solar cell properties of the tetra chloro tetra 2,4,6-trimethoxyphenoxy substituted phthalocyanines were studied using the ITO/ZnO/C60/ P3HT /LiF/Al structure. In order to improve and compare performance parameters of the poly(3-hexylthiophene) (P3HT) based solar cells, the tetra chloro tetra 2,4,6-trimethoxyphenoxy substituted H2Pc (2), Co(II)Pc (3) and Ni(II)Pc (4) compounds were incorporated individually into the solar cell structure between ZnO and C60 layers in which amorphous ZnO nanoparticles serves as electron transfer layer. Solar cell performance parameters such as short circuit current density (JSC), open circuit voltage (VOC), fill factor (FF) and power conversion efficiency (η) were studied as comparison parameters. Incorporation of Ni(II)Pc (4) into the reference structure between ZnO and C60 caused an increase 23.4 % in Jsc and 4.4 % in η whereas incorporation of Co(II)Pc (3) layer into the reference structure caused an increase 135.0 % in Jsc and 107.0 % in η under an illumination of 100 mW/cm2 with an AM 1.5G solar simulator. The best JSC and η (%) values were obtained for P3HT based solar cells with Co(II)Pc (3) interlayer.

DFT study of optoelectronic and thermoelectric properties of pure and doped double perovskite Cs2SnI6 for solar cell applications

The global need of energy is raising day by day. To meet this demand double perovskites (DPs) can play a vital role for energy conversion devices. In this letter, we formulated and examined lead-free defect perovskites using a combination of tellurium and tin, denoted as Cs2Sn1-xTexI6 (0, 0.25), utilizing density functional theory which include structural, optical and thermal behavior. Both the optimized volume and lattice parameter exhibit a linear increase with the Te content in Cs2Sn1-xTexI6 (CsSnTeI). The negative value of formation energy for both pure and doped materials along with their Poisson and Pugh ratio confirm the stability of these materials. The band structure analysis reveals its semiconducting behavior, with the band gap expanding proportionally to the increased Te concentration with band gap value of pure (1.20 eV) and doped 91.43 eV) double perovskites. Optical characteristics, including the dielectric function and absorption coefficient, were also analyzed. To expose their potential use of Cs2Sn1-xTexI6 (0, 0.25) in thermoelectric devices, temperature dependent thermoelectric features are investigated reveal that suitability of these materials for energy conversion purposes.

Probing charge redistribution at the interface of self-assembled cyclo-P5 pentamers on Ag(111)

Phosphorus pentamers (cyclo-P5) are unstable in nature but can be synthesized at the Ag(111) surface. Unlike monolayer black phosphorous, little is known about their electronic properties when in contact with metal electrodes, although this is crucial for future applications. Here, we characterize the atomic structure of cyclo-P5 assembled on Ag(111) using atomic force microscopy with functionalized tips and density functional theory. Combining force and tunneling spectroscopy, we find that a strong charge transfer induces an inward dipole moment at the cyclo-P5/Ag interface as well as the formation of an interface state. We probe the image potential states by field-effect resonant tunneling and quantify the increase of the local change of work function of 0.46 eV at the cyclo-P5 assembly. Our experimental approach suggest that the cyclo-P5/Ag interface has the characteristic ingredients of a p-type semiconductor-metal Schottky junction with potential applications in field-effect transistors, diodes, or solar cells.

Fabrication of Thermally Evaporated CuIx Thin Films and Their Characteristics for Solar Cell Applications

Carrier-selective contacts (CSCs) for high-efficiency heterojunction solar cells have been widely studied due to their advantages of processing at relatively low temperatures and simple fabrication processes. Transition metal oxide (TMO) (e.g., molybdenum oxide, vanadium oxide, and tungsten oxide) thin films are widely used as hole-selective contacts (HSCs, required work function for Si solar cells > 5.0 eV). However, when TMO thin films are used, difficulties are faced in uniform deposition. In this study, we fabricated a copper (I) iodide (CuI) thin film (work function > 5.0 eV) that remained relatively stable during atmospheric exposure compared with TMO thin films and employed it as an HSC layer in an n-type Si solar cell. To facilitate efficient hole collection, we conducted iodine annealing at temperatures of 100–180 °C to enhance the film’s electrical characteristics (carrier density and carrier mobility). Subsequently, we fabricated CSC Si solar cells using the annealed CuIx layer, which achieved an efficiency of 6.42%.

Structural and photoelectric properties of hybrid halide perovskites CsxMA1-xMgyPb1-yI3 from first-principles

Lead toxicity and stability are important issues to be addressed in organic/inorganic hybrid perovskite solar cell materials. In this study, the electronic, structural, and optical properties of Cs and Mg co-doped organic/inorganic hybrid perovskites were investigated through first-principles calculations. The synergistic effect of (Cs, Mg) doping improves the lattice stability, reduces the content of elemental lead, thereby reducing environmental pollution, and induces a tunable band gap of 0.96–2.58 eV. Perovskite with a bandgap of 1.5–1.6 eV is an ideal adsorbent for solar cells, while that with a bandgap greater than 1.70 eV can be used for perovskite-silicon tandem solar cells. Co-doping of Cs and Mg compresses the neighboring Pb–I and Mg–I bond and distorts the [PbI6] octahedra. The organic/inorganic hybrid perovskites co-doped with cesium and magnesium significantly increase the light absorption coefficients in the near-ultraviolet and visible regions. The predicted Cs and Mg co-doped halide perovskites with intriguing properties would become a promising candidate for applications in solar cells and optoelectronic devices.

Effect of Film Thickness on the Electrical Resistivity and Optical Functions Distribution of Iron Tris(8-hydroxyquinoline) Thin Films

Iron tris(8-hydroxyquinoline) (Feq3) was synthesized and investigated by X-ray photoemission spectroscopy. It crystalizes in triclinic polycrystalline structure in powder form, whereas the Feq3 films, with different thickness values (12, 20, 35, and 42 nm), have an amorphous structure. The influence of film thickness on the electrical resistivity and the optical properties is reported. The morphology of Feq3 was investigated in terms of field-emission scanning electron microscope. Electrical resistivity measurements indicate an inverse proportionality to the film thickness. The optical properties of Feq3 films were investigated in terms of photoluminescence spectra and spectrophotometric measurements of transmittance and reflectance. The optical functions such as absorption coefficient and refractive index of the films were calculated. The dependence of the Feq3 film thickness on the optical energy band gap and dispersion parameters was studied. The outcomes indicate that the Feq3 films are of great importance for applications in organic solar cells and light emitting diodes.

Computational Prediction of Structural, Optoelectronic, Thermodynamic, and Thermoelectric Response of the Cubic Perovskite RbTmCl3 via DFT‐mBJ + SOC Studies

Perovskite halides, owing to their environmental stability, non‐toxicity, and remarkable efficiency, are emerging as potential candidates for photovoltaic, solar cell, and thermodynamic applications. The electronic, optical, thermoelectric, and thermodynamic properties of cubic perovskite RbTmCl3 are studied using density functional theory (DFT). The electronic, optical, and thermoelectric properties are calculated both with and without spin‐orbit coupling (SOC) using the Tran and Blaha functional in the structure of the modified Becke Johnson (mBJ) exchange potential, while structural and mechanical properties are assessed using the exchange‐correlation functional calculated using the Perdew Burke Ernzerhof Generalized Gradient Approximation (PBE‐GGA). The negative formation energy (−592.39 KJ mol−1) and tolerance factor (1.17) for structural stability and current their existences in the cubic phase are found. Evaluation of the obtained data with and without SOC shows that the SOC effect causes the Tm‐d states to be shifted toward the level of Fermi, thereby decreasing the energy band gaps from 1.42 to 1.32 eV. Nevertheless, only the shift of the third variable peak to lower energies indicates the impact of SOC on optical properties. The effectiveness of RbTmCl3 in optical devices operating in the visible and ultraviolet regions is demonstrated by the exceptional absorption of light in these ranges. Using TB‐mBJ + SOC functional, the electronic band structure research reveals a direct semiconducting band gap of 1.32 eV in comparison to earlier calculations like LDA, PBE‐GGA, and TB‐mBJ. The absorption spectrum, reflectivity, extinction coefficient, refractive index, and dielectric function are displayed in addition to the electrical properties. Additionally, the quasi‐harmonic Debye model, which accounts for lattice vibrations, was used to study the corresponding volume, heat capacity, expansion of the heat coefficient, and Debye temperature of the RbTmCl3 crystal. We have calculated the thermoelectric parameters such as the Seebeck coefficient, thermal conductivity, electrical conductivity, and power factor as a function of temperature (100–900 K).

Effect of strain on thermoelectric properties of 2D SiH monolayer for solar cell and renewable energy applications: A First-Principles study

The structural, electrical, optical, and thermal characteristics of SiH monolayer were assessed using first-principles based calculations. The SiH monolayer is a semiconductor by nature and we found that the energy band gap remains zero by applying (-10%, -5%, -2%, 0%, 2%5%, 10%) different orders of strain into this material. The optical characteristics of SiH are examined for photon energies between 0 and 10 eV and electrical, thermal, Seebeck coefficient, and power factor against temperature (300˚ K 800˚ K) is reported. SiH monolayer has theoretical power conversion efficiencies up to 20%. SiH monolayer under consideration is appropriate for photovoltaic and optoelectronic applications, according to their electrical, optical, and thermoelectric characteristics.

Stabilization of Sn2+ in FA0.75MA0.25SnI3 perovskite thin films using an electron donor polymer, PCDTBT, and an improvement in the charge transport properties of perovskite solar cells

Lead-free tin halide perovskites for the fabrication of perovskite solar cells have attracted considerable attention due to their outstanding optoelectronic and ecofriendly properties. These materials face severe issues, such as poor environmental stability, low formation energy and faster oxidation of tin from the Sn2+ to Sn4+ state, leading to poor film quality and self-doping. In this work, we have fabricated FA0.75MA0.25SnI3 perovskite thin films via a solution processing method and studied the conjugated polymer poly [N-9′-hepta-decanyl-2,7-carbazole-alt-5,5-(4′,7′-di-2-thienyl-2′,1′,3′-benzothiadia-zole)] (PCDTBT)-induced effects in perovskite thin films. The micro-strain of PCDTBT-doped FA0.75MA0.25SnI3 perovskite reduced without any change in the crystal structure. Reductions in electron trap density have been observed due to improved film quality and enlarged perovskite grains. We have observed that the Sn4+ content in 0.050 wt% PCDTBT-doped FA0.75MA0.25SnI3 perovskite film gets reduced, as shown in the x-ray photoelectron spectroscopy (XPS) results. The reduction in Sn4+ (cause of self-doping) content shows that PCDTBT doping maintains the stability of Sn2+ in FA0.75MA0.25SnI3 perovskite thin film. A decrement in hole density from 3.2 × 1018 cm−3 for pristine films to 1.3 × 1017cm−3 for 0.050 wt% PCDTBT-doped FA0.75MA0.25SnI3 perovskite has been observed from C–V measurement, which is consistent with the XPS results. Thus, PCDTBT doping in perovskite films can effectively tackle the severe issues of tin oxidation and defects in the lead-free tin halide perovskite photoactive layer for solar cell application.

The role of thickness on the structural and luminescence properties of Y2O3:Ho3+, Yb3+ upconversion films

The structural, surface, and upconversion (UC) luminescence properties of Y2O3:Ho3+,Yb3+ films grown by pulsed laser deposition, for different numbers of laser pulses, were studied. The crystallinity, surface, and UC luminescence properties of the thin films were found to be highly dependent on the number of laser pulses. The X-ray powder diffraction analysis revealed that Y2O3:Ho3+,Yb3+ films were formed in a cubic structure phase with an Ia 3¯\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\overline{3 }$$\\end{document} space group. The thicknesses of the films were estimated by using cross-sectional scanning electron microscopy, depth profiles using X-ray photoelectron spectroscopy (XPS), and the Swanepoel method. The high-resolution XPS was used to determine the chemical composition and oxidation states of the prepared films. The UC emissions were observed at 538, 550, 666, and 756 nm, assigned to the 5F4 → 5I8, 5S2 → 5I8, 5F5 → 5I8, and 5S2 → 5I7 transitions of the Ho3+ ions. The power dependence measurements confirmed the involvement of a two-photon process in the UC process. The color purity estimated from the Commission International de I’Eclairage coordinates confirmed strong green UC emission. The results suggested that the Y2O3:Ho3+,Yb3+ UC transparent films are good candidates for various applications, including solar cell applications.

Multifaceted analysis of K2InAgX6 (X = F, Cl, Br, I) for photovoltaic and thermoelectric applications

Halide double perovskites represent a diverse class of materials, with wide range of properties and functionalities which opens up opportunities for innovation in various technological applications. In this study, we present a broad theoretical exploration of K2InAg(F/Cl/Br/I)6, halide double perovskites (HDPs) using Density Functional Theory focusing on its prospect for advanced solar cell applications and thermoelectric device design. We can tailor the material's band gap and thermoelectric efficiency by changing the halide atoms (F/Cl/Br/I) of the halide double perovskite. The HDPs K2InAg(Cl/Br/I)6 exhibits a bandgap of 2.69, 1.82 and 0.66 eV. The mechanical properties calculation shows that the studied compound is mechanically stable showing anisotropic behavior and ductile in nature. Moreover, our calculations reveal a promising thermoelectric efficiency of 1.29, 1.45 and 2.19 at room temperature for K2InAg(Cl/Br/I)6, suggesting its viability for waste heat recovery and power generation. Furthermore, our analysis using SCAPS-1D also indicates a noteworthy solar power conversion efficiency of 21.88 % for K2InAgBr6. This study provides a bird's-eye view of the theoretical analysis of these halide double perovskite compounds.

First-principles quantum analysis of structural, optoelectronic, and thermophysical properties of Co/Ni doped ceria Ce1−xTmxO2 (Tm=Co, Ni) for solar cell applications

The properties of CeO2 thin films, such as their memory store capabilities, visual transparency, chemical and thermal durability, adjustable energy band topologies, and high oxygen storage capacity have captured the attention of scientists. The energy band dispersions for Ce1−xTmxO2 (Tm = Co, Ni; x = 12.5%) are calculated to get insight into the characteristics of the materials under investigation. The anticipated energy bandgaps for Ce1−xCoxO2 and Ce1−xNixO2 are 2.6 and 2.7 eV, respectively, in the spin ↑ channel. However, both compounds show metallic character in inspin ↓ channel. The phenomena of photon absorption/dispersion by the host materials can be elucidated using dielectric function εω of Ce1−xTmxO2 (Tm = Co, Ni; x = 12.5%). Significant photon absorption can be noted in UV and IR regions for Ce1−xTmxO2 (Tm = Co, Ni; x = 12.5%) in spin ↑ and spin ↓ channels, respectively. Ce1−xTmxO2 (Tm = Co, Ni; x = 12.5%) exhibits a minimal photon reflection, approximately 15%. Ce1−xNixO2 shows excellent thermoelectric characteristics as its ZT value is high (1.8 at 1000K) compared to Ce1−xCoxO2. Based on their thermodynamic properties, Ce1−xTmxO2 (Tm = Co, Ni; x = 12.5%) are thermodynamically stable compounds.

FABRICATION AND CHARACTERIZATION OF ZnO:3,4-DIHYDRO-2H-NAPHTHO[2,3-b] [1,4] OXAZINE-5,10-DIONE THIN FILMS FOR SOLAR CELL APPLICATION

The fabricated films were characterized by SEM, EDX and Powder x-ray diffraction (XRD) analysis also their electrical activities were tested for the solarcell application. The films (1-5) are tested for their solar cell application. Film 4 shows minimum resistivity (ρ) value of 0.42X10-2Ωcm at 40% than that of the other films.

Organic solar cells: Exploring the future and sustainability of clean energy

As a critical technology in renewable energy, organic solar cells play an important role in energy transition and sustainable development. This paper examines the development and significance of organic solar cells in terms of energy demand, environmental requirements, and industrial growth. With the development of China's energy structure adjustment and carbon peak carbon neutral targets, interest in novel energy technologies is growing. The paper then describes the interaction between photons and materials and the electron-hole separation and charge transport mechanism of organic solar cells. In addition, the characteristics and potential applications of organic solar cells with various structures, such as bilayer heterojunction devices, intrinsic heterojunction devices, molecular DA junction devices, and stacked devices, are described in depth. In the outlook section, the paper emphasizes the future potential of organic solar cells, including efficiency enhancements, cost reductions, and integration with energy storage technologies. In conclusion, organic solar cells have tremendous potential in the field of renewable energy, and they are anticipated to lead the energy transition and contribute to sustainable development.

Comprehensive evaluation of the impact of ionic liquid incorporation on the optical properties, Urbach energy, thin film morphology, and surface roughness of poly(vinyl chloride) based on ionic materials

Abstract A newly synthesis composite thin films of poly(vinyl chloride) has been refinement with ionic liquid, where PVC dissolved in THF with various concentrations of IL by casting method to form the composite thin films, without any reaction and IL dangles within PVC matrix. The thin films were examined by the diffusive reflectance device under the wavelength range (238–1300 nm). The XRD, EDX, and AFM techniques were utilized to discover the structure of the PVC matrix after additive IL. The XRD analysis illustrated the amorphous structure of the films, while the EDS analysis illustrated the main composition of pure PVC and composite PVC/IL. The optical properties and optical parameters were studied. The reflectance, extinction factor, transmittance, and imaginary dielectric constant declined, the absorption value was between (80–89 %), and the refractive index, real dielectric constant, and optical conductivity were increased. The indirect energy gap declined from 4.2 eV to 2.2 eV and the direct energy gap declined from 3.7 eV to 2.6 eV. The Urbach energy was increased from 2.09 eV to 15.45 eV revealing an increase in the disorders of electrons. The E d increased from 23.42 eV to 70.68 eV and E o increased from 7.00 eV to 10.88 eV. AFM analysis illustrated the roughness of the films increased after additive IL to the PVC Matrix from 1.08 nm to 4.45 nm and the root mean square of the particles ranged from 1.57 nm to 5.56 nm. The PVC composite thin films are utilized in solar cell and sodium-ion battery applications.

First principles study to investigate structural, optical properties and bandgap engineering of XSnI3(X=Rb, K, Tl, Cs) materials for solar cell applications

First principles study to investigate structural, optical properties and bandgap engineering of XSnI3(X=Rb, K, Tl, Cs) materials for solar cell applications