Solar Cell Applications Research Articles

N-UV-Converted Enhanced Downshifting Blue Emission through Bi3+ Sensitization in Self-Activated LaNbO4 Phosphors for LEDs and High Broadband Quantum Cutting Efficiency for Solar Cell Applications

<i>n</i>-UV-Converted Enhanced Downshifting Blue Emission through Bi³⁺ Sensitization in Self-Activated LaNbO₄ Phosphors for LEDs and High Broadband Quantum Cutting Efficiency for Solar Cell Applications

Predicting two-dimensional ferroelastic semiconductors LuX (X=N, P, As): negative poisson's ratio, high carrier mobility, and strong visible light absorption

Abstract Two-dimensional (2D) materials manifesting ferroelasticity have received significant attention, yet it is uncommon for single materials to exhibit ferroelasticity alongside high carrier mobilities and strong visible light absorption. In this study, we use first-principles calculations to predict three 2D semiconductors: LuX monolayers (X = N, P, As), which are distinguished by their exceptional dynamical, thermodynamic, and mechanical stability. These LuX monolayers feature band gaps ranging from 0.98 eV to 1.98 eV, placing them within the ideal range for solar cell applications, and they exhibit strong visible light absorption, reaching up to 5%. Notably, the LuP monolayer demonstrates remarkable carrier mobility, reaching 1796 cm²·s⁻¹·V⁻¹, surpassing that of MoS₂ and showcasing its superior transport properties. Mechanical analyses reveal a significant in-plane negative Poisson's ratio (NPR) for these materials, as high as -0.37, which is substantially greater than that of black phosphorus. Additionally, all LuX monolayers are identified as 2D ferroelastic materials, with reversible strains ranging from 12.9% to 17.8%. Our findings highlight the exceptional electronic, mechanical, and optical properties of the LuX monolayers, making them promising candidates for a wide range of multifunctional applications.

Highly transparent and semi-transparent perovskites and their applications

Perovskite has recently garnered significant attention as a promising semiconductor for optoelectronic applications and particularly for solar cells. In various applications, solar cells must be semi-transparent or even nearly fully transparent. Perovskite solar cells emerge as strong contenders to meet this requirement, owing to their remarkable versatility that allows for high transparency. Consequently, numerous studies on semi-transparent perovskite have been presented in recent years, demonstrating significant advancements in their properties. This review aims to explore color-neutral highly transparent and semi-transparent perovskite solar cells, encompassing their synthetic routes, challenges associated with their fabrication process, and potential solutions. The incorporation of potential additives or two-dimensional perovskites to enhance the properties of semi-transparent perovskite solar cells is also discussed. Finally, we will delve into some promising applications of semi-transparent perovskite solar cells and other applications that have been successfully studied.

Theoretical Revelation of Cu3BiS3‐Based Thin Film PV Cell Exerting Various Carrier Transport Layers

AbstractRecently, Cu3BiS3 compound has exhibited great potential as a material for the absorber layer in solar cell applications owing to its favorable bandgap of 1.24 eV, abundance, high absorption coefficient, and capacity for cost‐effective production. This study demonstrates the detailed simulation of various kinds of Cu3BiS3 heterostructured solar devices using SCAPS 1D software. The CdS, In2S3, Zn(O,S), and ZnSe compounds are employed as electron transport layers (ETLs) in conjunction with Cu3BiS3 to determine the optimal condition. The n‐ZnSe/p‐Cu3BiS3 structure outperforms CdS, In2S3, and Zn(O,S) ETLs by providing a short circuit current (JSC) of 31.38 mA cm−2, an open circuit voltage (VOC) of 0.80 V, an 81.49% fill factor (FF), and a power conversion efficiency (PCE) of 20.45%. Adding different back surface field (BSF) layers, such as AlSb, BaSi2, CGS, and PEDOT:PSS, on the other hand, makes JSC, VOC, and FF much higher, which eventually improves PCE. Use of AlSb, CGS, BaSi2, and PEDOT:PSS as BSF layers raises the VOC in the range of 0.92 to 0.96 V. The presence of each BSF layer boosts the current by ≈5 mA cm−2. Finally, the PCE of Cu3BiS3 devices rise to ≈29.25% for AlSb, CGS, and PEDOT:PSS BSFs, and 28.69% for BaSi2 BSF.

Enhanced performance of Bi2S3/TiO2 heterostructure composite films for solar cell applications

Enhanced performance of Bi2S3/TiO2 heterostructure composite films for solar cell applications

Homogenized Wide Bandgap Perovskites for Photostable and Efficient Four‐Terminal All‐Perovskite Tandem Solar Cells

AbstractWide bandgap perovskite solar cells (WBG PSCs) have attracted widespread attention owing to their potential application in tandem solar cells. However, the mixed halide WBG perovskites suffer from serious phase segregation issues, which severely restrict the power conversion efficiency (PCE) and stability of the resulted device. Herein, an effective bottom‐up strategy has been developed to stabilize WBG perovskites by incorporating propylammonium chloride (PACl) at the buried interface. The PACl can interact with PbI2 to form a thin layer of low dimensional perovskites at the perovskite/SnO2 interface, which enables the formation of an energetic cascade structure to accelerate electron extraction. Moreover, the as generated low dimensional perovskites can seed perovskite growth with homogenized halide distribution and released lattice strain. Owing to the uniformed crystallization, suppressed defect states, and accelerated charge transport, the light induced phase segregation within the WBG perovskite is largely suppressed. As a result, a champion efficiency of ≈20% is obtained in a WBG PSC, and over 90% of the initial efficiency is maintained after 2000 h storage. By combining with a narrow bandgap PSC, a four‐terminal all perovskite tandem solar cell is ultimately constructed with a promising efficiency up to 27.2%.

Novel Fullerene-Based Dyes for Solar Cells Applications: Insights from Density Functional Theory and Time Dependent Density Functional Theory Investigations

Fullerene-based organic dyes hold significant promise for advancingsolar cell technologies due to their exceptional optoelectronic properties. This study investigates two novel fullerene-based dyes, Fullerene Dye 1 and Fullerene Dye 2 (FD1 and FD2), using Density Functional Theory (DFT)and Time-Dependent Density Functional Theory(TD-DFT)to evaluate their potential for solar cell applications. The electronic properties, including the Highest Occupied Molecular Orbital (HOMO), Lowest Unoccupied Molecular Orbital (LUMO), and HOMO-LUMO (H-L) energy gaps, were analyzed using the B3LYP functional with a 6-31G basis set, incorporating solvation effects with dichloromethane (DCM) in the Polarizable Continuum Model (PCM). FD1 exhibited a HOMO of -5.123 eV, a LUMO of -3.458 eV, and an H-L gap of 1.665 eV, while FD2 showed a slightly larger gap of 1.807 eV with a HOMO of -5.261 eV and a LUMO of -3.454 eV. Time-dependent DFT analysis revealed maximum absorption wavelengths (𝜆max) of 997.10 nm and 995.16 nm for FD1 and FD2, respectively, with corresponding oscillator strengths of 0.0075 and 0.0048. The light-harvesting efficiencies, LHEs of FD1 and FD2 were 0.018 and 0.012, respectively. Both dyes demonstrated favorable reorganization energy, 𝜆=0.15eV, driving force for charge injection, Δ𝐺inj= 0.542eV for FD1 and 0.546 eV for FD2, and low driving force for charge recombination (Δ𝐺CR), indicating strong potential for efficient charge separation. These findings provide valuable insights into the electronic, optical, and charge transfer properties of fullerene-based dyes, with FD1 exhibiting a more balanced performance. The study highlights the potential of these dyes for enhancing the efficiencies of organic, dye-sensitized solar cells (DSSCs) and provides a foundation for future experimental validation and optimization.

First-principles investigation of Ra doping effects on structural, electronic, and optical properties of BaTiO3 perovskite for solar cell applications

First-principles investigation of Ra doping effects on structural, electronic, and optical properties of BaTiO₃ perovskite for solar cell applications

Mangifera indica–driven CuO nanoparticles: properties for sensing and optoelectronics

This study reports biological synthesis of Mangifera indica leaf extract–mediated copper oxide nanoparticles (CuO NPs). CuO NPs are characterized for crystal structure and crystallite size determination, absorption peak, particle size and morphological analysis, elemental composition, and functional groups’ identification using X-ray diffraction (XRD), ultraviolet–visible spectroscopy, high-resolution transmission electron microscope (HRTEM), field emission scanning electron microscope (FESEM), energy-dispersive X-ray spectrometer (EDS), and Fourier transform infrared (FTIR). NPs show an absorption peak ∼338 nm and Tauc’s plot gives band gap energy ∼2.2 eV. XRD pattern depicts monoclinic phase ∼18 nm average crystallite size NPs. FESEM and HRTEM micrographs confirm the needle-shaped NPs having 5:40 nm aspect ratio. The EDS spectrum, depicting the Cu and O peaks, shows that the particles are free from any type of impurity. FTIR analysis elucidates the role of bioactive chemicals in the extract in the successful formation of NPs. The photoluminescence study reveals the existence of violet, green, orange, yellow, and red emission bands. Also, NPs exhibit an electrical conductivity of 1.37 × 10–7 S/m and 5. 31 × 10–7 S/m at 100°C and 200°C. Thus, environmentally friendly, non-toxic, green-synthesized CuO NPs hold significant potential for applications in resistive sensors, solar cells, and optoelectronics devices.

Thermal Annealing Effect on Properties of Nickel Oxide (NiO) Thin Films for Photovoltaic Applications

In this study, the impact of annealing temperature (TA) from room temperature (RT) to 400 °C on the structural, optical and electrical properties of NiO thin films deposited using sol‐ gel spin coating technique on glass substrate is presented. A theoretical approach is also employed to calculate the open circuit voltage (VOC) from the energy band gap (Eg) value, fill factor (FF), short circuit current (ISC), and power conversion efficiency (PCE) of the material for solar cell applications. Crystallinity improvement is observed upon annealing the NiO thin films and the average size of crystallites varies from 28 to 34 nm with a maximum value observed for 300 °C annealed film. The SEM micrographs confirm the nano form of NiO nanoparticles, with particles that are between 73 and 100 nm in size. All the films are semitransparent with transmittance &gt;55% and the thin film annealed at 300 °C exhibited 88% transmittance in the visible region, making it a promising option as a transparent conducting oxide (TCO) in photovoltaic applications. The I–V curves display a non‐linear behaviour for all annealing temperatures. The conductivity increases with an increase in TA and the film annealed at 300 °C shows the highest conductivity.

Strain-dependent structural, electronic, mechanical, optical and thermoelectric properties of Sr3NBr3 perovskites for solar cell applications.

Halide perovskites are a class of materials with excellent potential for solar cell applications due to their excellent optical and electronic properties. In this study, strain-dependent physical properties of Sr3NBr3 perovskites are investigated and theoretical results are reported here. The structural properties indicate that Sr3NBr3 has a cubic structure. Calculation of the formation energy confirms the thermodynamic stability of Sr3NBr3 in the pristine state and under compressive and tensile strain. Phonon dispersion curves confirm the dynamic stability of Sr3NBr3, while its mechanical stability is verified through elastic constant calculations. The material exhibits anisotropy, which diminishes under tensile strain. Additionally, the band structure and density of states are analyzed to investigate the strain-induced changes in its electronic properties. The results show that pristine and strained Sr3NBr3 systems have semiconducting nature. The Sr3NBr3 material shows excellent optical absorption in the visible range. In the energy range of 10 eV to 13 eV (ultraviolet region), an excellent reflection of up to 70% is observed for Sr3NBr3. Besides, we studied different thermoelectric features to explore the thermoelectric properties of Sr3NBr3. A high power factor of 4.46 × 1011 W m-1 K-2 s-1 is found for the hole-doped system.

Homogeneously Blended Donor and Acceptor AgBiS2 Nanocrystal Inks Enable High‐Performance Eco‐Friendly Solar Cells with Enhanced Carrier Diffusion Length

AbstractColloidal semiconductor nanocrystals (NCs) have garnered significant attention as promising photovoltaic materials due to their tunable optoelectronic properties enabled by surface chemistry. Among them, AgBiS2 NCs stand out as an attractive candidate for solar cell applications due to their environmentally friendly composition, high absorption coefficients, and low‐temperature processability. However, AgBiS2 NC photovoltaics generally exhibit lower power conversion efficiency (PCE) compared to other NC‐based devices, primarily due to numerous surface traps that serve as recombination sites, leading to a short diffusion length for free carriers. To address this challenge, this work develops donor and acceptor blended (D/A) AgBiS2 films. Through ligand modulation, this work formulates acceptor and donor AgBiS2 NC inks with suitable electrical band alignment for charge separation, while ensuring that they are fully miscible in the same solvent. This enabled the fabrication of high‐quality, thickness‐controllable D/A‐blended junction films. This work finds that this approach effectively facilitates carrier separation, leading to an enhanced carrier lifetime and diffusion length. As a result, using this approach, this work achieves AgBiS2 films that are twice as thick in solar cell applications compared to conventional devices, leading to improvements in current density and a solar cell PCE of 8.26%.

A Boosting Strategy of Photovoltaics by Stacking Monolayer InSe and β-Sb into Heterostructure.

Identifying two-dimensional (2D) high-efficiency solar photovoltaic devices remains an urgent challenge in addressing current energy demands. Considering the limits of isolated 2D systems in photovoltaics, one most effective solution is stacking them into van der Waals heterostructures (vdWHs). However, the favorable factors for photovoltaics in vdWHs is still uncertain, nor the intrinsic principles is clear. Here, based on monolayer InSe and β-Sb, we propose a boosting strategy on photovoltaics through stacking them into vdWH. After confirming its experimental feasibility, several superior photovoltaic characteristics of such vdWH are verified than its components. Including more moderately indirect-to-direct band gap, higher electron mobilities, the hindrance of carrier recombination due to the staggered type-II band alignment, and the stronger and red-shifted optical harvesting abilities owing to the band redistribution. In addition, superior characteristics in the InSe/Sb vdWH based photovoltaic devices are further confirmed, including the red-shifted photocurrent into the infrared-light range, the superior photoelectric conversion efficiencies in the visible-light-region, and the higher photovoltaic quality factors (Rph ,τeqe et.al.) than each component and many other typical vdWHs. Obviously, the design principles and promotion mechanisms of 2D vdWH on photovoltaics can provide powerful theoretical guidances for next design and applications of 2D high-efficiency solar photovoltaic cells.

Temperature‐Dependent Photoluminescence and Grain Size Control in a Prototypical Lead‐Free Bismuth Halide Perovskite

Lead‐free perovskites are non‐toxic solution‐processed semiconductors that promise applications in solar cells, light‐emitting diodes, and advanced photodetectors with broad and easily tunable spectral sensitivity. However, understanding excitonic properties and growth conditions are key for the development of efficient and stable materials. This study explores the temperature‐dependent photoluminescence (PL) and the influence of anti‐solvent on crystal size in methylammonium bismuth iodide (MA3Bi2I9), a prototypical bismuth‐based lead‐free perovskite. Using a one‐step spin‐coating method, low‐dimensional hexagonal MA3Bi2I9 crystals with controllable grain sizes ranging from 1.4 to 36 μm are developed, employing chlorobenzene as an anti‐solvent. Temperature‐dependent micro‐PL measurements reveal multi‐component PL emissions below 199 K and interestingly, below 144 K, bound excitonic recombination dominates the PL spectra. The observed free and bound exciton recombination peaks are consistent with the MA3Bi2I9 exciton binding energy of ≈340 meV reported in earlier studies. Observed temperature‐dependent PL spectra provide deeper insights into the excitonic properties of MA3Bi2I9, which have strong correlation with optoelectronic device performance, thereby providing a quick tool to assess as‐synthesized lead‐free perovskite films for defect‐site density and binding energy. Furthermore, the potential of concentration‐dependent anti‐solvent engineering in obtaining controllable bismuth perovskite crystal grain sizes for optoelectronic applications is underscored.

Vanadium Pentoxide and Bismuth Oxide Thin Films Deposition on PSi for Application in Solar Cells

Vanadium Pentoxide and Bismuth Oxide Thin Films Deposition on PSi for Application in Solar Cells

2D MXenes: Synthesis, Properties, and Applications in Silicon-Based Optoelectronic Devices.

MXenes, a rapidly emerging class of 2D transition metal carbides, nitrides, and carbonitrides, have attracted significant attention for their outstanding properties, including high electrical conductivity, tunable work function, and solution processability. These characteristics have made MXenes highly versatile and widely adopted in the next generation of optoelectronic devices, such as perovskite and organic solar cells. However, their integration into silicon-based optoelectronic devices remains relatively underexplored, despite silicon's dominance in the semiconductor industry. In this review, a timely summary of the recent progress in utilizing Ti-based MXenes, particularly Ti3C2Tx, in silicon-based optoelectronic devices is provided. The composition, synthesis methods, and key properties of MXenes that contribute to their potential for enhanced device performance are focused on. Furthermore, the latest advancements in MXene applications in silicon-based solar cells and photodetectors are discussed from fundamental and applied perspectives. Finally, the key challenges and future opportunities for the integration of MXenes in silicon-based optoelectronic devices are outlined.

Optical assessment of lignin-containing nanocellulose films under extended sunlight exposure

Abstract This study investigates the stability and UV-blocking properties of cellulose nanofibril (CNF) and TEMPO-oxidized cellulose nanofibril (TOCNF) films, with and without lignin, under 1000 h of artificial sunlight. The literature to date provides no quantitative analysis of such films’ stability, however such insight is critical for optoelectronic applications for instance solar cells. This contribution examines the films from practical perspectives, considering aging with respect to their optical performance and retention of UV protective qualities. Films containing residual lignin (LignoCNF and LignoTOCNF), and lignin nanoparticles (CNF-LNP and TOCNF-LNP) demonstrated remarkable UV-blocking stability; even after the aging transmittance of LignoCNF and CNF-LNP films remained lower than 1% below 390 nm. Most lignin-containing films exhibited increased transmittance between 400 and 600 nm after aging, except for LignoTOCNF, which showed a decrease in transmittance that was comparable to that displayed by non-lignin films. Nevertheless, long-term light exposure induced a decrease in their mechanical properties. Tensile tests revealed increased brittleness in CNF and LignoCNF, while LNP-containing films showed reduced strain at the break. The observed changes were linked to the potential oxidation of COO- groups and structural modifications in both cellulose and lignin. Overall, the incorporation of lignin into nanocellulose films enhances their durability, UV protection, and mechanical stability, making them promising candidates for sustainable optoelectronic applications.

MXene-based multilayered and ultrawideband absorber for solar cell and photovoltaic applications

We proposed the ultrawideband solar absorber using the multisized metal resonator oriented on the top of the multilayered Metal-SiO₂-MXene-MgF₂-Tungsten structure. We have carried out a numerical investigation of this structure for the 100–2500 THz frequency, which covers the infrared, visible, and UV spectra. The proposed solar absorber is numerically investigated for the different physical parameters, such as the height of the layers, unit cell size, and resonator orientation, to identify optimized results for the high absorption capacity. The structure presented in the study shows promise, with an average absorption of 80% over the large frequency spectrum of 100–2500 THz. This structure was also investigated for the variation in oblique incident angle, which showcases the absorption stability up to 60⁰ of the incident angle. We have also reported the comparative analysis for this proposed absorber structure with other designs, demonstrating the absorption efficiency over infrared, visible, and UV spectra. The proposed structure and discrete resonator length can offer a better solution for trapping the different frequency ranges, resulting in high absorption over a wideband frequency. This study can be applied to designing highly efficient parasitic solar absorber structures, which are essential to highly efficient photovoltaic and solar cell design.

Upconverter loaded MoS2 counter electrode for broadband dye-sensitized solar cell applications.

An interesting approach of including an upconverter in the MoS2 counter electrode can yield broadband light harvesting Pt-free DSSC assembly. Here different upconverter (UC) nanoparticles (Yb, Er incorporated NaYF4, YF3, CeO2 & Y2O3) were synthesized and loaded in MoS2 thin film by hydrothermal method. The inclusion of UCs in MoS2 films exposed without any secondary formation of upconverters and the uniform deposition of the films are confirmed through XRD and FESEM analysis respectively. The absorption spectrum (UV-Vis-NIR) confirms the increase in absorption intensity in visible and NIR regions due to the incorporation of UCs. Under 980nm excitation, the UCs-loaded MoS2 films show emission in blue (450-490nm), green (520-540nm) and red (600-700nm) regions due to the f-f inner transition occurring in the Er ions. The oxide and fluoride UCs-based DSSCs were fabricated with an FTO/TiO2/N719/Triiodide electrolyte/UC@MoS2/FTO assembly. Oxide UCs show greater electrocatalytic activity, which might be owed to the films exposed with more catalytic active sites favourable for ion transportation in the I-/I- 3 electrolyte. Among them, higher photoconversion efficiency (PCE) of 7.1% was witnessed for (Y2O3: Er, Yb) @MoS2 counter electrode-based DSSC which is due to the good conductivity (RS) of the film, the longer electron lifetime and photon harvesting enhancement by upconversion process. It is notably convinced that the UC-loaded MoS2 films can be used as an effective counter electrode for the possible realization of upconverter DSSC and used for broadband light absorption.

Strategic Integration of Machine Learning in the Design of Excellent Hybrid Perovskite Solar Cells.

The photoelectric conversion efficiency (PCE) of perovskites remains beneath the Shockley-Queisser limit, despite its significant potential for solar cell applications. The present focus is on investigating potential multicomponent perovskite candidates, particularly on the application of machine learning to expedite band gap screening. To efficiently identify high-performance perovskites, we utilized a data set of 1346 hybrid organic-inorganic perovskites and employed 11 machine learning models, including decision trees, convolutional neural networks (CNNs), and graph neural networks (GNNs). Four descriptors were utilized for high-throughput screening: sine matrix, Ewald sum matrix, atom-centered symmetry functions (ACSF), and many-body tensor representation (MBTR). The results indicated that LightGBM and CatBoost somewhat surpassed XGBoost in decision tree models, but random forests lagged. Among the CNN models utilizing the same four descriptors, CustomCNN and VGG16 surpassed Xception, while EfficientNetV2B0 exhibited the least favorable performance. When the sine matrix and Ewald sum matrix served as adjacency matrices in GNN models, GCSConv exhibited a considerable improvement over GATConv and a slight advantage over GCNConv. Significantly, GCSConv outperformed other models when utilized with the Ewald sum matrix. The ideal combination of descriptors and algorithms identified was MBTR + CustomCNN, with an R2 of 0.94. Subsequently, three perovskites exhibiting appropriate Heyd-Scuseria-Ernzerhof (HSE06) band gaps were identified to define the defects. Among them, CH3C(NH2)2SnI3 exhibited superior performance in both vacancy and substitutional defects compared to C3H8NSnI3 and (CH3)2NH2SnI3. This high-throughput screening method with machine learning establishes a robust foundation for selecting solar materials with exceptional photoelectric properties.