Solar Cell Applications Research Articles

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

Investigation of structural, electronic, and optical properties of halide perovskites with different amide cations: A first-principles approach

Hybrid halide perovskites (CH3NH3PbI3) have emerged as an appealing candidate in photovoltaic devices due to their low-cost fabrication and remarkable optical and electronic properties. However, the commercial applications of these perovskites are limited by their instability due to the rapid rotation and orientation of methylammonium cation (CH3NH3+), and interaction with PbI2 lattice at high temperatures. Since CH3NH3+ can deteriorate structural stability of MAPbI3 perovskites, it is possible to use molecular cation design and substitution as a mechanism to enhance the stability and remove this limitation. We here investigate the effect of replacing this cation with other organic cations (HCOHNH2PbI3 (FPbI3), CH3COHNH2PbI3 (AcPbI3), and NH2COHNH2PbI3 (UPbI3)) in order to enhance the performance of the perovskites, while also keeping the band gap energy (Eg) in an appropriate range for solar cell applications. The calculations are performed using the full potential linearized augmented plane wave method, providing lattice parameters and the formation energy of the proposed perovskites. Our results indicate that AcPbI3 perovskite outperforms the other structures in terms of various optical parameters, such as the absorption coefficient, optical conductivity, and reflectance. The optical and electronic band gaps of the AcPbI3 structure and its resonance form (Ac'PbI3) are found to be in agreement with each other, proposing them as optically tunable hybrid perovskites in emerging solar cells.

Engineering the optoelectronic and thermoelectric properties of Cs2BiAgY6 (Y= Br or Cl) double perovskites through doping with iodine: A DFT study

First-principles calculations are used to study the optoelectronic and thermoelectric properties of Cs2BiAgY6-xIx (where Y= Br or Cl, and x = 0.0, x = 0.15 or x = 0.3) materials by replacing Y atom by Iodine atom (I). Our results show that the pure and doped Cs2BiAgY6-xIx structures represent p-type semiconductors with indirect band gaps. It is observed that with the increase of the I concentration in Cs2BiAgY6-xIx, the band gap decreases from 1.841 eV (x = 0.0) to 1.677 eV (x = 0.3), and from 2.309 eV (x = 0.0) to 2.022 eV (x = 0.3) for Y= Br and Y= Cl, respectively. Moreover, with a concentration of x = 0.3 (5.00 %), of Iodine in Cs2BiAgY6-xIx, the absorption coefficient shifted from the ultraviolet light to the visible light region. Furthermore, thermoelectric properties show that electrical and thermal conductivities increase with the increase of the temperature from (0 K–800 K), indicating the vibrations of atoms and the movement of electrons. These results predict that Cs2BiAgY6-xIx (where Y= Br or Cl, and x = 0.15 or x = 0.3) compounds are promising non-toxic and stable absorber perovskite materials for solar cell applications.

Tio2 as the Economically Semi Conducting Layer for Dye-Sensitized Solar Cell (DSSC) Application

Tio2 as the Economically Semi Conducting Layer for Dye-Sensitized Solar Cell (DSSC) Application

Preparation of Al2O3 thin films by RS-ALD and edge passivation application for TOPCon half solar cells

A rotary spatial atomic layer deposition (RS-ALD) method is proposed for the preparation of high-quality Al2O3 thin films and its application to the edge passivation of tunnel-oxide passivated contact (TOPCon) half solar cells. The high- quality Al2O3 thin films were prepared on silicon wafers by optimizing the process conditions with a process pressure of 4 Torr and a trimethylaluminum (TMA, (CH3)3Al) flow rate of 300 sccm. The Al2O3 thin films were annealed to analyse the transformation of the film crystal structure, surface morphology, and passivation properties. Compared to the half solar cells without edge passivation, the efficiency of the cell with only deposited Al2O3 increased by 0.098 %, and the module power increased by 3.08 W. The efficiency of the cell with deposited Al2O3 + annealing increased by a further 0.021–0.119 %, and the module power increased by a further 0.68–3.76 W.

Ecodesign of Kesterite Nanoparticles for Thin Film Photovoltaics at Laboratory Scale.

This manuscript investigates the efficient synthesis of copper zinc tin sulfide (CZTS) nanoparticles for CZTS thin film solar cell applications with a primary focus on environmental sustainability. Underpinning the investigation is an initial life-cycle assessment (LCA) analysis. This LCA analysis is conducted to evaluate the environmental impact of different synthesis volumes, providing crucial insights into the sustainability of the synthesis process by considering the flows of material and energy associated with the process. Life-cycle assessment results demonstrate that significant reductions to the environmental impact can be made by increasing the synthesis volume of CZTS nanoparticle ink. Using a 5-fold increase in volume can reduce all 11 investigated environmental impacts by up to 35.6%, six of these impacts demonstrating reductions >10% and the amount of global warming potential is reduced by 21.4%. Motivated by the LCA results, COMSOL simulations are employed to understand the fluid flow patterns in large-scale fabrication. Various sizes and speeds of stirrer bars are investigated in these simulations, and it is determined that a 50 mm stir bar at 200 rpm represents the optimal configuration for the synthesis process in a 500 mL flask. Subsequently, large-batch CZTS nanoparticle inks are synthesized using these parameters and compared to small-batch samples. The light absorbers are characterized using Raman spectroscopy and X-ray diffraction, confirming favorable properties with close-to-ideal elemental ratios in large-batch synthesis. Finally, solar cell devices fabricated utilizing CZTSSe absorbers from the large volume synthesis process demonstrate comparable performance to those fabricated using small-batch synthesis, with uniform power conversion efficiencies of around 5% across the substrate. This study highlights the potential of large-volume CZTS nanoparticle synthesis for efficient and environmentally friendly CZTS solar cell fabrication, contributing to the advancement of sustainable renewable energy technologies.

A comprehensive ab-initio study of Cs3Sb2X9 (X= Cl, Br) novel halide perovskites for solar cell applications

Two-dimensional perovskite materials have recently attracted significant interest in solar cell applications. This study employed DFT calculations to investigate the structural, electronic, optical, magnetic, thermal properties and spectroscopic limited maximum efficiency (SLME) of Cs3Sb2X9 (X = Cl, Br) perovskites. The dynamic vibrational stability was calculated using the phonon energy dispersion curve; results show that Cs3Sb2X9 (X = Cl, Br) is dynamically stable. The electronic band structure revealed that these materials exhibit semiconductor behavior with energy bandgaps of 2.41 eV and 1.77 eV for Cs3Sb2Cl9 and Cs3Sb2Br9, respectively. The Cs3Sb2Br9 shows higher absorption and conductivity at comparatively lower frequencies of absorbed light. Furthermore, the magnetic characteristics of the investigated compounds demonstrate that there are no net magnetic moments. The thermodynamic properties analysis indicated a strong correlation between heat capacity and temperature. We have used SLME analysis to determine the theoretical power conversion efficiency for Cs3Sb2X9 (X = Cl, Br) perovskites. The determined results of SLME show that Cs3Sb2Cl9 and Cs3Sb2Br9 exhibit SLME values of 12.63 % and 26.40 %, respectively, at 298.15 K, suggesting that both compounds can be used in solar cells.

First principle insights on optoelectronic, mechanical, and thermoelectric properties of double perovskites Li2ScAu (Br/I)6 for energy harvesting applications

Li-based double perovskites (DPs) are extensively studied due to their potential applications for solar cells and thermoelectric devices. In the current paper, I have explored the electronic, optical, transport, and mechanical properties of Li2ScAu (Br/I)6 by density functional theory (DFT) based calculations. The tolerance factor and Born Criteria have been assumed for structural and mechanical stability. In contrast, energy and phonons band structures are examined for thermodynamic and dynamic (Lattice vibration) stabilities. The band gaps of 1.96 eV and 1.42 eV for Li2ScAuBr6 and Li2ScAuI6 fall the absorption bands in the visible zone. The optical characteristics are addressed in the energy range of 0–5.0 eV. The low lattice thermal conductivity, large Seebeck coefficient, and electrical conductivity enhance the figure of merit (ZT) scale that increasse their importance for thermoelectric generators.

Electronic band structure and optical properties of BGaAsBi/GaAs using 16 band kp Hamiltonian

The numerical simulations of optical and electronic properties of BGaAsBi/GaAs quantum wells (QWs) are obtained by diagonalizing the 16-band kp Hamiltonian with distinct boron and bismuth compositions that exhibit multifaceted potential in 1.3–1.5 μm. It has been observed that under strain-relaxed conditions for a doping concentration of 12.5 % (B, Bi), the anticipated values of spin-orbit (SO) coupling energy (ΔSO) and the bandgap (Eg) are 302 meV and 0.952 eV, respectively. Additionally, strain interaction on band structure decreases the band gap from (Eg = 0.92eV–0.85eV), increasing dopant concentration from 8 % to 12.5 %. The consequence of incorporating both Bi and B impurity is a reduction in electron effective mass of BGaAsBi by ∼1.3 times concerning the host GaAs, enhancing the optical properties of BGaAsBi/GaAs quantum-confined heterostructures. Moreover, an increase in well-width introduced a red shift and reduced the peak amplitude of the gain spectra. In addition, for solar cell application, the onset of the fundamental absorption edge is depicted at an energy of about 0.96 eV. For laser applications, the optimum threshold current density and quality factor of BGaAsBi/GaAs quantum well achieved at room temperature are 1089 A/cm2 and 3653, respectively, at well width (w = 2.0 nm), cavity length (L = 0.5 mm), and average thickness of the active region (d = 45 nm). The variation in power density is studied with injected current density, while the quality factor is calculated with well width. The outcomes could be beneficial for future use in optical devices.

Theoretical investigation on electronic, optical and phonon properties of compound semiconductors suitable for photovoltaic device applications

The III-V group semiconductors have extensive technological applications in the solar cells and light-emitting diodes. The electronic, dynamical, and optical properties of GaSb, GaP, InAs, GaAs, AlSb and AlAs semiconductors are comprehensively analysed using first-principle calculations of the density functional theory. The GGA computed band gaps are in the solar spectrum and found to be low effective charge due to high dispersion in the band structures. The acoustic phonons and optical phonons are obtained in the energy range of 0–33 meV and 21–55 meV, respectively. These phonon results have suggested that all the crystal structures are dynamically stable. Above electronic and phonon results are used to analyse the optical properties. Generally, optical properties are affected by electron-phonon interaction via inter-bond transitions. The phonon influenced dielectric function could effectively enhance the light absorption by electron-phonon coupling which is useful to improve the efficiency of solar cell. Particularly, the phonon role in the shaping of optical absorption has been analysed based on the electron-phonon interaction. The optical absorption shows significant optical absorption (>105 cm−1) for all the semiconductors useful in solar cell applications.

Construction of Porous Aromatic Frameworks with Specifically Designed Motifs for Charge Storage and Transport.

ConspectusPorous frameworks possess high porosity and adjustable functions. The two features conjointly create sufficient interfaces for matter exchange and energy transfer within the skeletons. For crystalline porous frameworks, including metal organic frameworks (MOFs) and covalent organic frameworks (COFs), their long-range ordered structures indeed play an important role in managing versatile physicochemical behaviors such as electron transfer or band gap engineering. It is now feasible to predict their functions based on the unveiled structures and structure-performance relationships. In contrast, porous organic frameworks (POFs) represent a member of the porous solid family with no long-range regularity. For the case of POFs, the randomly packed building units and their disordered connections hinder the electronic structural consistency throughout the entire networks. However, many investigations have demonstrated that the functions of POFs could also be designed and originated from their local motifs.In this Account, we will first provide an overview of the design and synthesis principles for porous aromatic frameworks (PAFs), which are a typical family of POFs with high porosity and exceptional stability. Specifically, the functions achieved by the specific design and synthesis of in-framework motifs will be demonstrated. This strategy is particularly intuitive to introduce desired functions to PAFs, owing to the exceptional tolerance of PAFs to harsh chemical treatments and synthetic conditions. The local structures can be either obtained by selecting suitable building units, sometimes with the aid of computational screening, or emerge as the product of coupling reactions during the synthetic process. Radical PAFs can be obtained by incorporating a persistent radical molecule as a building unit, and the rigid and porous framework may facilitate the formation of radical species by trapping spins in the organic network, which could avoid the delocalizing and recombining processes. Alternatively, radical motifs can also be formed during the formation of the framework linkages. The coupling reaction plays an important role in the construction of functional motifs like diacetylene. The highly porous, radical PAFs showed significant performance as anodes of lithium-ion batteries. To improve the charge transport within the framework, the building units and their connecting manner were cohesively considered, and the framework with a fully conjugated backbone was built up. In another case, the explicit product of the cross-coupling reaction ensured the precise assembly of two building units with electron donating and accepting abilities; therefore, the moving direction of photogenerated electrons was rationally controlled. Constructing a fully conjugated backbone or rationally designing a D-A system for charge transfer in porous frameworks introduced exciting properties for photovoltaic and photocatalysis, and their highly porous, stable frameworks improved their functional applications for perovskite solar cells and chemical productions. These investigations shed light on the designable combination of intrinsic functional motifs with highly porous organic frameworks for effective energy storage and conversion.

One-Step Hydrothermal Deposition of AgSbS2-xSex Thin Films for Solar Cell Applications.

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.

Recent Research Progress and Perspectives on Porphyrin and Phthalocyanine Analogues for Perovskite Solar Cell Applications

Recent Research Progress and Perspectives on Porphyrin and Phthalocyanine Analogues for Perovskite Solar Cell Applications