Solar Energy Conversion Technologies Research Articles

Smelling-based hunting optimization for battery–Super/Ultracapacitor hybrid energy storage station in wind/solar generation system using Siamese neural network

To ensure the continuous supply of power in remote areas utilizing renewable energy resources is significant. Hence, in this research, an effective energy management method for a small-scale hybrid wind-solar-battery-Ultra-capacitor-based microgrid is proposed. Hybrid Energy Storage System (HESS) has been presented in conjunction with wind and solar energy conversion technologies characterized by coupling of power electronic converters, neural networks, optimization, battery, controllers, and ultra-capacitor storage systems to attain the intended performance. The power balance is regulated via an energy management system by considering the fluctuation in load demand and renewable energy power generation. Further, the voltage controller utilizes the deep Siamese neural network (deep SNN) that effectively carries out energy management among the hybrid renewable energy sources. The smelling-based hunting optimization assists in optimal parameter tuning and training of the deep SNN for enhancing the HESS’s efficiency. In addition, the microgrid operates independently and offers a testing area for different energy management systems and testing scenarios. The proposed small-scale microgrid, which is based on renewable energy, can serve as a significant testing area for methods utilized in smart grid applications. The proposed SBHO model’s efficiency is determined by varying the voltage, current, and power of the wind, solar, battery, and ultra-capacitor measurements. The current capacity of the battery reaches −11.06A and the battery voltage reaches 259.831 V in 0.82 s. The DC load measurement utilizing the SBHO approach obtained a DC bus voltage of 357.11V, a load current of 3.348 A within 0.82 s, and in DC power load attained the 1195.58 W within 0.82 s. The battery’s SOC by applying the smelling-based hunting optimization is gradually increased to 50.008% in 0.82s.In terms of the PV measurement, the PV current, PV voltage, and PV power are obtained as 4.238A,241.08V, and 1021.64W for the SBHO approach which surpasses other competent techniques. The ultra-capacitor current ranges from 35A to 40A with reduced heavy discharge of SOC from 98% obtained on evaluating the performance. The output power of wind using a boost converter remains 3000 W with few harmonics.

Unveiling the potential of FASnI3 solar cells through advanced charge transport materials: A SCAPS-1D perspective

As demand grows for efficient and affordable photovoltaic technology, investigating alternative materials becomes crucial. Tin-based perovskite has a low bandgap, great optoelectronic properties, and higher carrier mobility. It has become an interesting absorber layer for perovskite solar cells (PSCs). However, improving their device performance presents challenges. Copper-based hole transport materials (HTM) and zinc-based electron transport materials (ETM) offer low cost, easy fabrication, and high electrical conductivity. This research analyzes the impacts of these transport materials on the FASnI3 absorber layer using numerical modeling in SCAPS-1D. Through simulation analysis, the study thoroughly examines the effect of these materials on PSC performance parameters such as QE curve, layer thickness, defect density, interface defect, and doping concentration. Moreover, this study identifies the most efficient PSC configurations, achieving good performance by ITO/ZnSe/FASnI3/Cu2O/Au with aVoc of 2.05 V, Jsc of 29.316 mA/cm2, FF of 53.37 %, and power conversion efficiency (PCE) of 32.13 %, providing valuable insights in optimizing FASnI3 solar cells and advancing next-generation solar energy conversion technologies.

(Invited) Sub-Particle-Resolution Microscopy Reveals Inter-Facet Junction Effects on Particulate Photoelectrodes

This presentation will describe our recent work in using single-particle/single-molecule imaging approaches to study photoelectrocatalytic properties of particulate semiconductor photocatalysts, important for many solar energy conversion technologies. In anisotropically shaped photocatalyst particles, the different constituent facets differ in their electronic and thus photoelectrocatalytic properties, and between different facets they may form inter-facet junctions at their adjoining edges, analogous to lateral two-dimensional (2D) heterojunctions or pseudo-2D junctions made of few-layer 2D materials. Using subfacet-level multimodal functional imaging, we uncover inter-facet junction effects on anisotropically shaped bismuth vanadate (BiVO4) particles and identify the characteristics of near-edge transition zones on the particle surface, which underpin the whole-particle photoelectrochemistry. The imaging tools, the analytical framework and the inter-facet junction concept pave new avenues towards understanding, predicting and engineering (opto)electronic and photoelectrochemical properties of faceted semiconducting materials, with broad implications in energy science and semiconductor technology.

Surface Reconstruction of La0.5Sr0.5CoO3-δ Ceramic toward High Solar Selectivity for High-Temperature Air-Stable Solar-Thermal Conversion.

As a key device for solar energy conversion, solar absorbers play a critical role in improving the operating temperature of concentrated solar power (CSP) systems. However, solar absorbers with high spectral selectivity and good thermal stability at high temperatures in air are still scarce. This study presents a novel surface reconstruction strategy to improve the spectral selectivity of La0.5Sr0.5CoO3-δ (LSC5) for enhanced CSP application. The strategy could efficiently enhance the solar absorptance due to the existence of a high-absorption thin layer composed of nanoparticles on the LSC5 surface. Meanwhile, the crystal facet with low emittance on the LSC5 surface was exposed. Thus, the LSC5 that underwent surface reconstruction achieved a higher solar absorptance (∼0.75) and lower infrared emittance (∼0.19) compared to the original LSC5 (0.63/0.21), representing an improvement of nearly 32%. Additionally, the surface reconstructed LSC5 demonstrated a lower infrared thermographic temperature and a higher solar-thermal conversion equilibrium temperature compared to those of LSC5 and SiC. Moreover, the reconstructed LSC5 could maintain stable performance up to 800 °C in air, which might simplify the complexity of the CSP systems. The surface reconstruction strategy provided a new method to optimize the spectral selectivity of high-temperature stable ceramics, contributing to advancements in solar energy conversion technologies.

Elaboration, Structural and Optical Characterization of the New Ternary Chalcogenide SnSb<sub>2</sub>S<sub>5</sub>

In this study, -antimony sulfide (SnSb2S5) thin films with 200 nm, 312 nm, and 431 nm thicknesses were successfully fabricated using thermal evaporation. These films' structural, optical, and photoanode properties were meticulously characterized to assess their suitability for photovoltaic applications. X-ray diffraction (XRD) analysis confirmed the presence of an orthorhombic symmetry phase within the <em>Pnma</em> space group, ensuring the crystalline quality of the films. Raman spectroscopy further validated the crystal structure and provided detailed identification of the vibrational active modes specific to this pseudo-binary chalcogenide compound. Optical characterization revealed that the SnSb<sub>2</sub>S<sub>5</sub> thin films possess direct optical bandgap energies ranging from 1.91 to 1.99 eV, making them ideal for efficient light absorption in photovoltaic devices. The refractive index (n) displayed minimal variation within the absorption region, indicating stable optical properties. At the same time, it increased proportionally with film thickness outside the absorption region, suggesting enhanced optical behavior with thicker films. This characteristic is particularly advantageous for improving the efficiency of photoanode materials. The combination of favorable structural properties, optimal bandgap energies, and tunable optical responses positions SnSb<sub>2</sub>S<sub>5</sub> thin films as promising candidates for advanced photovoltaic and optoelectronic applications. These findings highlight the potential of SnSb<sub>2</sub>S<sub>5</sub> in developing high-performance photoanodes, contributing to the advancement of solar energy conversion technologies.

Harnessing synergistic effects in GQD@Pt(II) nanocomposites for enhanced photovoltaic performance: a computational study.

The development of efficient solar energy conversion technologies is crucial for addressing global energy challenges and reducing reliance on fossil fuels. Platinum(II) complexes are promising materials for photovoltaic applications due to their strong light absorption and long-lived excited states. However, their narrow absorption in the visible spectrum and stability issues limit their performance. Combining platinum(II) complexes with graphene quantum dots (GQDs) can enhance photovoltaic performance by leveraging the complementary light harvesting and charge transfer characteristics of the two components. This study utilizes density functional theory (DFT) calculations to explore their electronic structures, charge transfer dynamics, and photoelectric performance. Specifically, it investigates the effects of incorporating different substituents, either electron-donating or electron-withdrawing, onto the fluorene motif of the Pt(II) complex. The findings reveal that combining GQDs with Pt(II) complexes extends light absorption into the UV range, enabling comprehensive solar utilization. Upon photoexcitation, electrons migrate between the GQD conduction band and the Pt(II) complex, stabilizing charges and enhancing extraction. Substituents significantly influence charge transfer dynamics: electron-withdrawing groups promote transfer to the GQD, while electron-donating groups encourage charge separation and delocalization. Nanocomposites featuring electron-donating substituents achieve the highest energy conversion efficiencies, with GQD@Pt(II)-NPh2 reaching 24.6%. This is attributed to improved light harvesting, efficient charge injection, and reduced recombination. These insights guide the rational design of GQD-Pt(II) nanocomposites, optimizing charge separation and transfer processes for enhanced photovoltaic performance. The computational approach employed here provides a robust tool for developing advanced materials in renewable energy technologies. The computational studies reported in this work were performed using the DFT approach, specifically employing the hybrid functional PBE0. The PBE0 functional's accuracy in describing electronic structures and excited-state properties is essential for understanding charge transfer processes, photoabsorption, and emission characteristics in metal-organic complexes. Geometry optimizations and time-dependent DFT (TD-DFT) calculations were carried out to investigate the properties of the nanocomposites. The effects of solvents were replicated using the conductor-like polarizable continuum model (CPCM). The charge transfer length (ΔL) and interfragment charge transfer (ΔQ) were calculated using the Multiwfn software package, and all calculations were performed using the BDF software package.

Rational Design of Photoanodes to Produce Value‐Added Chemicals Coupled with Hydrogen

AbstractGreen hydrogen fuel generation via the photoelectrochemical (PEC) approach has attracted considerable attention recently for its sustainability and eco‐friendliness. Photoelectrocatalysts are the key component of the PEC process. To produce green hydrogen by this approach at a reasonable rate from water splitting and waste valorization, proper design and electronic structure modulation of the photoelectrocatalysts are of utmost importance. Therefore, in this review, we discuss the materials selection, design, and engineering of photoanode materials to efficiently harvest and convert solar energy into green hydrogen fuel and value‐added chemicals. In this regard, we introduce the fundamentals and the mechanistic insights of the PEC solar energy conversion and storage technologies, which would provide knowledge to novices to gain insight into this field while designing a new photoanode. Moreover, we mention the importance of various semiconducting materials and their surface/interface engineering aspects to improve the PEC properties for selective water oxidation to value‐added chemicals and waste valorization coupled with green hydrogen generation. Finally, we discuss the conclusions and prospects of this technology by highlighting the major challenges and its potential for commercialization.

Pivotal role of water vapor–mediated defect engineering on SrTiO3 nanofiber toward efficient photocatalytic water splitting

The oxygen vacancies (OVs) have played key roles as either charge carrier traps for inhibiting recombination or directly as active sites for photocatalytic redox reactions. In this study, the population and types of oxygen vacancies within the electrospun SrTiO3 nanofibers were modulated through water vapor and air atmosphere annealing respectively. Combining the distinctive 1D nanofibrous structure with optimized OVs, the water vapor–mediated OVs-rich SrTiO3 nanofibers achieved a significant enhancement in specific surface area and porosity, effectively suppressing the recombination of photogenerated carriers. The OVs can effectively promote the conversion of photon excitons into charge carriers, accelerate the carrier separation, and facilitate surface redox reaction. The optimized water vapor–mediated STO-W-700 exhibited abundant active sites and rapid surface charge separation/migration across the nanofibers, leading to an exceptional hydrogen production performance of 296.82 μmolg/h. During the photocatalytic process, the OVs act synergistically with nearby metal sites to optimize the adsorption energy of reactants. This work not only provides an effective pathway for manipulating oxygen vacancies through water vapor–mediated defect engineering strategy, but also reveals a new water splitting mechanism, laying the foundation for further research and development of efficient solar energy conversion technologies.

Synergistic Innovations: Organometallic Frameworks on Graphene Oxide for Sustainable Eco-Energy Solutions

Combining organometallic frameworks with graphene oxide presents a fresh strategy to enhance the electrochemical capabilities of supercapacitors, contributing to the advancement of sustainable energy solutions. Continued refinement of materials and device design holds promise for broader applications across energy storage and conversion systems. This featured application underscores the inventive utilization of organometallic frameworks on graphene oxide, shedding light on the creation of superior energy storage devices for eco-friendly solutions. This review article delves into the synergistic advancements resulting from the fusion of organometallic frameworks with graphene oxide, offering a thorough exploration of their utility in sustainable eco-energy solutions. This review encompasses various facets, including synthesis methodologies, amplified catalytic performances, and structural elucidations. Through collaborative efforts, notable progressions in photocatalysis, photovoltaics, and energy storage are showcased, illustrating the transformative potential of these hybrids in reshaping solar energy conversion and storage technologies. Moreover, the environmentally conscious features of organometallic–graphene oxide hybrids are underscored through their contributions to environmental remediation, addressing challenges in pollutant elimination, water purification, and air quality enhancement. The intricate structural characteristics of these hybrids are expounded upon to highlight their role in tailoring material properties for specific eco-energy applications. Despite promising advancements, challenges such as scalability and stability are candidly addressed, offering a pragmatic view of the current research landscape. The manuscript concludes by providing insights into prospective research avenues, guiding the scientific community towards surmounting hurdles and fully leveraging the potential of organometallic–graphene oxide hybrids for a sustainable and energy-efficient future.

DFT analysis of Cs2NaBiCl6, Cs2NaBiBr6, and Cs2NaBiI6 perovskites for optoelectronic and thermoelectric applications

In this theoretical study, we examined the structural, electronic, optical, elastic, and thermoelectric properties of Cs2NaBiX6 (X = Cl, Br, I) halide double perovskites. The calculated formation energies are negative, affirming the stability of these compounds and their suitability for experimental synthesis. Our investigation has revealed the presence of strong covalent bonds within the [Bi/NaX6] clusters. The electronic properties demonstrate the indirect bandgap of 1.94, 3.15, and 3.24 eV for Cs2NaBiI6, Cs2NaBiBr6, and Cs2NaBiCl6, respectively, calculated using modified Becke-Johnson potential plus spin–orbit coupling (mBJ + SOC) approximation. In the visible spectrum, Cs2NaBiI6, Cs2NaBiBr6, and Cs2NaBiCl6 exhibit average rate transmittance of 53 %, 83 %, and 84 %, respectively. The absorption spectrum, extending from visible to ultraviolet (UV) wavelengths, reaches 25 × 104/cm in the case of the iodine-based perovskite. The thermoelectric characteristics, involving Seebeck coefficient, electrical conductivity, and power factor, demonstrate the use of these perovskites as a suitable for solar cells and solar thermal energy conversion technologies.

Cost-efficient sunlight-driven thermoelectric electrolysis over Mo-doped Ni5P4 nanosheets for highly efficient alkaline water/seawater splitting

Thermoelectric water spitting to hydrogen systems has great potential in the production of environment-friendly fuel using renewable solar energy in the future. In this work, we prepared porous nanosheet Mo doping Ni5P4 catalysts on nickel foam with efficient hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) performance in alkaline media. Density Functional Theory (DFT) calculations and experimental studies have shown that Mo doping deadeneds the interaction between H and O atomic orbitals of transition state water molecules, effectively weakening the activation energy of H2O dissociation. Therefore, Mo doping is favorable for enhancing HER activity with overpotential at 10 mA cm–2 of 93 mV and Tafel slope of 40.1 mV dec–1 in 1 M KOH. Besides, it exhibits high alkaline OER activity with an ultra-low overpotential of 200 mV at 10 mA cm–2. Moreover, this catalyst only needs 1.537 V in a dual-electrode configuration of the electrolytic cell, which is much lower than the commercial Pt/C-RuO2 couple (1.614 V). In addition, we have developed and constructed a solar thermoelectric generator (TEG) that is capable of floating on water. This TEG has a continuous power output and an exceptionally long lifespan, providing a stable power supply to the synthesized catalyst electrolyzer. It can produce a maximum power output of over 90 mW, meeting the requirement of converting solar radiation heat into usable electricity. As a result, the system achieves productivity of 0.11 mL min–1 H2. This solar thermal energy conversion technology shows the possibility of large-scale industrial production of H2 and provides a new idea for exploring heat source utilization.

Development of Bio-Photoelectrochemical Hybrids for Solar Energy Conversion

Recent advancements in solar energy conversion have identified bio-photoelectrochemical hybrids as one of the most promising sustainable techniques. This study integrates BiVO4 and TiO2 semiconductors with photoautotrophic microorganisms (e.g., Algae) to enhance solar energy conversion. Thin films of these materials were prepared and characterized, revealing a relatively smooth surface for BiVO4 while structures for TiO2 thin films deposited as nanorods. Optical properties showed band gaps of ≤ 3.1 and 2.4 eV for TiO2 and BiVO4, respectively. The point of zero charge of materials was investigated, indicating that naturally occurring biofilm formation might not be favorable for as-prepared materials. To overcome this challenge, we aimed to use polyelectrolytes to enhance attachment of cells on the surface of semiconductor and in this regards we determined the biocompatibility of using this approach. Photoelectrochemical (PEC) measurements were conducted to evaluate solar energy conversion efficiency. This study offers insights into optimizing biosystem attachment, biofilm stability, and PEC performance of coupled semiconductors with photoautotrophic microorganisms as one photoelectrode in PEC cell, advancing sustainable solar energy conversion technologies.

A novel hierarchical chromium black membrane prepared by electroplating for desalination

Solar-driven interfacial evaporation (SDIE), a technology for local solar energy conversion through photothermal materials, has been greatly developed. The metal oxide semiconductors have excellent photothermal conversion performance and are considered the most promising materials for photothermal conversion. Hierarchical structure with large surface area is beneficial to improve the photothermal conversion efficiency through the light-trapping effect and reduces the evaporation enthalpy of water. Herein, chromium black (Cr, Cr2O3, CrO3-x) photothermal membranes (CBPM) with ganoderma-like hierarchical structure were prepared by electrochemical oxidation. Due to the small interlayer spacing of the ganoderma-like structure, the light absorption of CBPM (M7) can reach 78.53 %, which in turn promotes the conversion of solar energy due to the low thermal conductivity of the chromium black layer, resulting in a high evaporation rate of 1.64 kg m−2 h−1. The solar-to-vapor conversion efficiency is up to 90.39 % under 1 sun irradiation. Meanwhile, the superhydrophilicity of the membrane is conducive to salt redissolution at night, so there was not much performance degradation after 24 cycles. This study provides a new solution for water treatment using chromium black as a photothermal material with great potential for solar production of fresh water.

How can we improve the stability of organic solar cells from materials design to device engineering?

AbstractAmong a promising photovoltaic technology for solar energy conversion, organic solar cells (OSCs) have been paid much attention, of which the power conversion efficiencies (PCEs) have rapidly surpassed over 20%, approaching the threshold for potential applications. However, the device stability of OSCs including storage stability, photostability and thermal stability, remains to be an enormous challenge when faced with practical applications. The major causes of device instability are rooted in the poor inherent properties of light‐harvesting materials, metastable morphology, interfacial reactions and highly sensitive to external stresses. To get rid of these flaws, a comprehensive review is provided about recent strategies and methods for improving the device stability from active layers, interfacial layers, device engineering and encapsulation techniques for high‐performance OSC devices. In the end, prospectives for the next stage development of high‐performance devices with satisfactory long‐term stability are afforded for the solar community.

Progress in TOPCon solar cell technology: Investigating hafnium oxide through simulation

In the realm of solar energy technology, exploring hafnium oxide (HfO2) in Tunnel Oxide Passivated Contact (TOPCon) solar cells is pivotal. This study delineates HfO2's evolution from semiconductor applications, highlighting its crucial role in enhancing TOPCon solar cell performance. Utilizing ATLAS Silvaco software, the study anticipates a 21.3% increase in charge carrier lifetime through optimized HfO2 layers, addressing challenges in interface engineering and scalability. Innovative research integrates hafnium oxide (HfO2) into TOPCon solar cells, marking a leap in photovoltaic technology. Utilizing ATLAS Silvaco simulations, it shows that HfO2 layers can significantly enhance cell performance, increasing charge carrier lifetime by 21.3% and potentially boosting efficiency by 25%. This underscores HfO2's advantages, like a higher dielectric constant and thermal stability, in improving solar cell efficiency and durability. Future efforts target refining deposition processes, projecting a 25% boost in overall power conversion efficiency (PCE). Emphasizing HfO2's significance in solar cell technology, this research contributes to global sustainable energy initiatives. Integrating HfO2 in TOPCon solar cells signifies a key achievement in harnessing clean, renewable energy. Upcoming research focuses on experimental validation, interface engineering, optimization, stability assessments, scalability, and collaborative studies, aiming to leverage HfO2's potential for elevating solar energy conversion technologies.

Use of Interfacial Interactions and Complexation of Carbon Dots to Construct Ultra-Robust and Efficient Photothermal Film From Micro-Carbonized Polysaccharides.

Solar energy conversion technologies, particularly solar-driven photothermal conversion, are both clean and manageable. Although much progress has been made in designing solar-driven photothermal materials, significant challenges remain, not least the photobleaching of organic dyes. To tackle these issues, micro-carbonized polysaccharide chains, with carbon dots (CDs) suspended from the chains, are conceived, just like grapes or tomatoes hanging from a vine. Carbonization of sodium carboxymethyl cellulose (CMC) produces just such a structure (termed CMC-g-CDs), which is used to produce an ultra-stable, robust, and efficient solar-thermal film by interfacial interactions within the CMC-g-CDs. The introduction of the CDs into the matrix of the photothermal material effectively avoided the problem of photobleaching. Manipulating the interfacial interactions (such as electrostatic interactions, van der Waals interactions, π-π stacking, and hydrogen bonding) between the CDs and the polymer chains markedly enhances the mechanical properties of the photothermal film. The CMC-g-CDs are complexed with Fe3+ to eliminate leakage of the photothermal reagent from the matrix and to solve the problem of poor water resistance. The resulting film (CMC-g-CDs-Fe) has excellent prospects for practical application as a photothermal film.

Critical role of the end-group acceptor in enhancing the efficiency of indacenodithiophene-benzothiadiazole-linked nonfullerene organic solar cells through morphology optimization

Solution-processed organic solar cells (OSCs) have great promise for next-generation solar energy conversion technologies. Innovative acceptors are constantly being designed to improve device efficiency. In this work, we designed and synthesized a series of A–π–D–π–A type non-fullerene acceptor (NFA) molecules, named IB-TOT, IB-TOM, IB-IOO, and IB-IOM for their applications in OSCs. All molecules showed high thermal stability, broad photoabsorption, and relatively lower highest occupied molecular orbital (HOMO) energy levels from −5.48 eV to −5.58 eV. The optimized OSCs based on these NFAs and PTB7-Th donor deliver power conversion efficiencies (PCEs) of 8.19%, 5.50%, 2.42%, and 3.10% for IB-TOT, IB-TOM, IB-IOO, and IB-IOM molecules, respectively. The higher PCE of IB-TOT-based OSCs is attributed to their excellent miscibility and superior interpenetrating network morphology compared to the other three compounds. These results demonstrate that using the 3-ethylrhodanine acceptor unit to construct the NFA molecule is a successful approach for outstanding achievement in OSCs.

Radiation-driven thermoacoustic energy conversion in absorbing media

Thermoacoustic engines rely on an instability that can convert heat into an intense acoustic wave — oscillating pressure and velocity. Being heat-driven, thermoacoustic engines are a promising technology for solar energy conversion, potentially cheap, reliable, and robust, with no moving parts and no exotic materials. Herein, we present an as-yet overlooked mode of triggering a thermoacoustic instability in such engines, driven by radiation. This mode of operation can potentially eliminate much of the viscous losses associated with high-amplitude thermoacoustic energy conversion by eliminating the need for a solid, porous medium with which to mediate heat transfer. A theoretical framework is developed for modeling such devices, with a simplified analysis illustrating that any non-uniform, temperature-dependent heat source has the potential to trigger the thermoacoustic instability. It is then further demonstrated that radiation can indeed drive such instability, with numerical results showing that energy conversion is more substantial when the oscillation period is matched with the characteristic radiative heating time of the gas. A limit-cycle analysis indicates that, for a traveling wave acoustic field, potential efficiencies of up to 90% of Carnot’s efficiency may be achieved, with power densities of up to 5 MW/m3. While several of the assumptions made in the model likely result in lower performance for a real system, the analysis demonstrates the great potential offered by this approach, for future development.

First-principles calculations to investigate the elastic, electronic, dynamical, and optical properties of cubic ZrCoAs half-Heusler semiconductor for photovoltaic applications

The electronic, mechanical, elastic, dynamical, and optical properties of the ZrCoAs half-Heusler compound have been systematically investigated using the plane wave self-consistent field approach with the Perdew-Burke-Erzerhof generalized gradient approximation (GGA-PBE) exchange-correlation functional. The study includes examinations with and without spin orbit coupling (SOC) effects. Results indicate a decrease in the Kohn-Sham band gap with the inclusion of SOC effects. Electronic bandgap formation was attributed to Co 3d, Zr 3d, and As 2p for the conduction band, and Co 3d and As 2p for the valence band without SOC effects. With SOC, Co 5d, Zr 8d, and As 3p dominated the conduction band, while Co 3d and As 3p dominated the valence band. The lattice constant showed a 0. 063% decrease with the SOC effects, which is better aligned with the experimental observations. ZrCoAs demonstrated ductility, mechanical stability, and dynamical stability. The optical properties were found to be excellent for photovoltaic applications, suggesting its potential in solar energy conversion technology. This study provides valuable information on ZrCoAs and presents opportunities for its use in solar cells, optoelectronic devices, and thermoelectric applications. The material's versatility and suitability for practical applications make it a promising candidate for further exploration in renewable energy research.

Chlorophyl-Passivated Ytterbium-Doped Perovskite Quantum-Cutting Film for High-Performance Solar Energy Conversion and Near-Infrared Light-Emitting Diode Applications.

The quantum cutting ytterbium (Yb3+)-doped CsPbX3 (X = Cl, Cl, or Br) nanocrystals, exhibiting photoluminescence quantum yields (PLQYs) exceeding 100%, hold significant promise for applications in solar energy conversion technologies and near-infrared (NIR) light-emitting diodes (LEDs). This work investigates the usage of chlorophyll (CHL), a naturally existing organic pigment, as an efficient molecular passivator to improve the performance of quantum cutting films. With the assistance of CHL, the resultant perovskite film displays an increased PLQY of 176%. The commercial silicon solar cells (SSCs) with CHL-treated perovskite films demonstrate a remarkable photon-to-current conversion efficiency improvement of 1.83% for a 330.15 cm2 area SSC device. Additionally, a CHL-modified Yb3+:CsPbCl3 film was used to create 988 nm NIR LEDs with an external quantum efficiency of 3.2%. This work provides a new, eco-friendly approach for producing high-quality, large-area Yb3+-doped perovskite film for deployment in photoelectric and night vision applications.