Excellent Light Research Articles

Constructing a CeFeO3/LaFeO3/ZnIn2S4 double Z-scheme heterojunction for photocatalytic atrazine degradation under visible light irradiation

The limited light absorption range and rapid recombination of interfacial charges were deemed to be the main restriction of the photocatalysts for atrazine (ATZ) degradation, and the construction of Z-scheme heterojunction was an effective strategy. Herein, a CeFeO3/LaFeO3/ZnIn2S4 (CFO/LFO/ZIS) double Z-scheme ternary heterojunction photocatalyst was fabricated by the in-situ precipitation and hydrothermal method. The photocatalytic ATZ degradation efficiency of optimized heterojunction reached 52% within 175 min under visible light irradiation, which was 3.1, 3.7 and 1.7 times higher than that of CFO, LFO and ZIS, respectively. The enhanced photocatalytic activity was due to the excellent light capture capacity and improved photogenerated charge separation in CFO/LFO/ZIS double Z-scheme heterojunction photocatalyst. Meanwhile, some environmental factors on the influence of photocatalytic ATZ degradation performance were systematically investigated. Quenching experiments confirmed that ·OH, h+ and 1O2 were the main active species during the photocatalytic ATZ degradation process. The possible photogenerated charge separation route was proposed via the analysis of the IEF effects between CFO, LFO and ZIS. Finaly, the possible ATZ degradation pathway was deduced by LC-MS measurement and toxicity assessment of the intermediates were also evaluated by the Toxicity Estimation Software Tool (TEST). This work not only provided a potential magnetic recyclable ferrate based double Z-scheme heterojunction photocatalyst for enhancing photogenerated charge separation and light absorption, but also evaluated the intermediate toxicity and related environmental factors on the activity of photocatalyst, which was facilitating the practical application for the degradation of ATZ.

A high-efficiency clay mineral based organic photocatalyst towards photodegradation of butyl xanthate in mineral processing wastewater

The organic solar cell active layer, well known for excellent visible light response capability, is regarded as a potential candidate for photocatalytic degradation of organic wastewater. However, the poor dispersibility in water due to its hydrophobicity property severely limited the degrading efficiency. In this work, a novel composite photocatalyst PM6:IDT8CN-M/CK2 with a broad visible absorption spectrum and non-toxicity was first synthesized through the intercalation compounding method. A good dispersibility of PM6:IDT8CN-M in wastewater was achieved with the help of rich interlamellar porosity and good hydrophilicity of calcined kaolin. This composite photocatalyst was successfully applied to the SBX photocatalytic degradation in mineral processing wastewater, and the SBX pollutants can be completely degraded within 10 min under the condition of visible light irradiation. Compared with other reported photocatalysts, the photocatalytic degradation efficiency of SBX was dramatically improved by at least seven times. Moreover, PM6:IDT8CN-M/CK2 has remarkable stability, sustaining degradation efficiencies of over 90 % in 60 cycles. Notably, the organic solar cell active layer in PM6:IDT8CN-M/CK2 can achieve carrier rapid separation and transport, enhancing the generation of active oxides (∙O2–, and ∙OH, etc.). At the same time, the large surface area of PM6:IDT8CN-M/CK2 provides a suitable environment for the oxidation reaction of active radicals with SBX to achieve this efficient photocatalytic degradation. Overall, this work not only extends the application scope of organic solar cell active layer, but also develops a high-efficiency SBX removal technique for the treatment of mineral processing wastewater.

Preparation of K-doped g-C3N4 composite loaded on magnetic attapulgite and its degradation performance for malachite green

Visible-light-driven photocatalysis is a promising technology for the treatment of dye wastewater. In this work, a novel photocatalyst of K-doped g-C3N4 loaded on magnetic attapulgite (ATP) (Kω-g-C3N4@ATP-Fe3O4) with excellent visible light photocatalytic properties and stability were successfully prepared and characterized. The removal efficiency of Kω-g-C3N4@ATP-Fe3O4 for malachite green (MG) was studied, and the degradation mechanism was analyzed and proposed. It was found that the K5-g-C3N4@ATP-Fe3O4 photocatalyst possessed excellent degradation efficiency of over 98.0% for the MG dye wastewater under optimal conditions. Moreover, the K5-g-C3N4@ATP-Fe3O4 materials possessed good recyclability with a removal rate over 82% after 4 cycles. Under visible light condition, the K5-g-C3N4@ATP-Fe3O4 photocatalyst produce radicals of ·OH and ⋅O2− to degrade the MG dyes, which was supported by EPR and radical trapping experiments. In addition, the LC-MS analysis interpreted the degradation pathways and intermediates of MG in the solution. The findings in this work indicate that the prepared photocatalytic material has excellent degradation efficiency for MG and can be applied in dye wastewater treatment.

Bright Bifacial White-Light Illumination by Highly Deformable Electroluminescent Devices Based on Transparent Ionic-Hydrogel Electrodes and Quantum-Dot Color Conversion.

Deformable alternating-current electroluminescent (ACEL) devices are of increasing interest because of their potential to drive innovation in soft optoelectronics. Despite the research focus on efficient white ACEL devices, achieving deformable devices with high luminance remains difficult. In this study, this challenge is addressed by fabricating white ACEL devices using color-conversion materials, transparent and durable hydrogel electrodes, and high-k nanoparticles. The incorporation of quantum dots enables the highly efficient generation of red and green light through the color conversion of blue electroluminescence. Although the ionic-hydrogel electrode provides high toughness, excellent light transmittance, and superior conductivity, the luminance of the device is remarkably enhanced by the incorporation of a high-k dielectric, BaTiO3. The fabricated ACEL device uniformly emits very bright white light (489cdm-2) with a high color-rendering index (91) from both the top and bottom. The soft and tough characteristics of the device allow seamless operation in various deformed states, including bending, twisting, and stretching up to 400%, providing a promising platform for applications in a wide array of soft optoelectronics.

Hot-Injection Synthesis of Cesium Lead Halide Perovskite Nanowires with Tunable Optical Properties.

Metal halide perovskite semiconductors have emerged as promising materials for various optoelectronic applications due to their unique crystal structure and outstanding properties. Among different forms, perovskite nanowires (NWs) offer distinct advantages, including a high aspect ratio, superior crystallinity, excellent light absorption, and carrier transport properties, as well as unique anisotropic luminescence properties. Understanding the formation mechanism and structure-property relationship of perovskite NWs is crucial for exploring their potential in optoelectronic devices. In this study, we successfully synthesized all-inorganic halide perovskite NWs with high aspect ratios and an orthorhombic crystal phase using the hot-injection method with controlled reaction conditions and surface ligands. These NWs exhibit excellent optical and electrical properties. Moreover, precise control over the halogen composition through a simple anion exchange process enables the tuning of the bandgap, leading to fluorescence emission, covering a wide range of colors across the visible spectrum. Consequently, these perovskite NWs hold great potential for efficient energy conversion and catalytic applications in photoelectrocatalysis.

External Electric Field Control of Exciton Motion in Porphyrin-Based Metal Organic Frameworks.

Porphyrins are excellent light-harvesting complexes. Presently they are unsuitable for photovoltaic applications, as their excellent light absorbance is compensated to a large extent by their poor transport properties, where most excitons are lost by recombination. Arranging porphyrins in regular, strongly bound, lattices of surface-anchored metal-organic frameworks (PP-SURMOFs) may facilitate charge carrier dissociation, but does not significantly enhance the conductive properties. In most cases, photogenerated excitons traverse undirected, Brownian motion through a hopping process, resulting in a substantial diffusion length to reach electrodes, leading to significant exciton loss through recombination. Here, we propose to guide exciton diffusion indirectly by an external electric field. We show that electric fields, even as strong as 1 V nm-1, do not affect the HOMO-LUMO gap of the porphyrins. However, fields of 0.1 V nm-1 and even less demonstrate a notable Stark effect, with slight band gap reductions, for some PP-SURMOFs. When applied as an electric field gradient, for instance, via the substrate, it creates a unidirectional hopping pathway for the excitons. Consequently, we expect a significant reduction of exciton diffusion length leading to increased utilization of photogenerated excitons as they reach the electrodes. This strategy holds promise for integrating photoactive molecules in photovoltaic and photocatalytic applications.

Efficient photocatalytic removal of ciprofloxacin through in-situ growth of g-C3N4 on the surface of clinoptilolite

Natural mineral clinoptilolite has many advantages such as porous structure, stability, low price, environmental protection, and simple modification process, making it an ideal choice for wastewater treatment materials. Loading photocatalysts on the surface of zeolite can effectively exert adsorption degradation synergy in wastewater treatment, improve pollutant removal and mineralization capabilities, and further reduce the harm of wastewater to the environment. In this work, g-C3N4 was in-situ grown on the surface of clinoptilolite using a one-step calcination method for efficient photocatalytic removal of the pollutant ciprofloxacin from water. In-situ growth of g-C3N4 on clinoptilolite enables the catalyst to have strong adsorption capacity for pollutants. At the same time, the large specific surface area and extended photo-generated carrier lifetime make the composite photocatalyst exhibit excellent visible light adsorption degradation ability. The CN/CLI-60 with the best photocatalytic performance showed a removal rate of over 90 % of ciprofloxacin within 60 min, much higher than pure g-C3N4 and clinoptilolite. In addition, the pH value, pollutant concentration, catalyst quantity, and cycle stability have all been investigated to evaluate the practical application potential of this catalyst. This work can provide industrial guidance for the rational design of low-cost and high-efficiency photocatalysts using natural clinoptilolite.

Fabricating waxberry-shaped N–C–TiO2 composite with excellent visible light catalytic activity

Herein, a nitrogen, carbon co-doped anatase and rutile double-phase waxberry-shaped [Formula: see text] composite photocatalyst is prepared with the one-step simple hydrothermal synthesis process, in which P25 was used as the precursor, and urea as the source of nitrogen and carbon. A suitable valence band position (2.52 eV) is provided by [Formula: see text], with more active species (e.g. [Formula: see text], [Formula: see text], •[Formula: see text] and •[Formula: see text]) being formed on the active catalysis surface, which is helpful to the redox reaction. Further comparison of experimental results ([Formula: see text] = 3.01 eV) proved that the novel [Formula: see text] has preferable photocatalytic activity. In this study, an ingenious nitrogen- carbon co-doping structure was designed for the improvement of [Formula: see text] photocatalytic performance, which is much for reference of this method to other photocatalyst designs.

A numerical simulation and analysis of chalcogenide BaZrS3-based perovskite solar cells utilizing different hole transport materials

Recently, barium zirconium sulfide (BaZrS3) chalcogenide perovskite (CP) material has attracted much attention in the photovoltaic community because of its excellent light harvesting ability, stability, and nontoxicity. BaZrS3 has shown great potential in becoming the best alternative to hybrid halide perovskites. Herein, we have numerically simulated and optimized the performance of a device with the general architecture FTO/WS2/BaZrS3/HTL/Au, using SCAPS-1D (version 3.3.07) software. In this general device, inorganic CuSCN, Cu2O and organic poly(3-hexylthiophene) (P3HT) were inserted, and performance was evaluated as hole transport layer (HTL) materials. Moreover, the influence of various parameters on the device, such as the effect of changing the absorber defect density, varying the operation temperature, and using different metal back contacts, were examined. The best HTL material was organic P3HT, and it exhibited a power conversion efficiency (PCE) of 13.86 %, with a Fill factor (FF) of 11.97 %, open circuit voltage (Voc) of 6.58 V, and current density (Jsc) of 17.59 mA cm−2. The other tested inorganic CuSCN and Cu2O HTL showed a PCE of 13.83 and 13.70 %, respectively. For all the devices, the optimum density of defects was kept at 1.0 × 1015 cm−2. It was established that the P3HT-based device can operate and be stable between 240–––340 K temperature window, while devices with CuSCN and Cu2O can work between 280 – 400 K temperature range. Thus, the CuSCN- and Cu2O-based devices were more stable because they could form a more compact structure that can withstand relatively higher operation temperatures than organic-based devices with P3HT as HTL. Finally, it was established that relatively cheaper metals such as Pt, Ni, and Pd can be suitable alternatives to expensive gold metal back contact. It is expected that this work would shed additional light on the utilisation of BaZrS3 as a promising absorber material in the actual manufacturing of solar cells for clean energy production.

Resource utilization of MSWI fly ash supporting TiO2/BiOCl nanocomposite for enhanced photocatalytic degradation of sodium isopropyl xanthate: Mechanism and performance evaluation

The removal of organic pollutants in water environments and the resource utilization of solid waste are two pressing issues around the world. Facing the increasing pollution induced by discharge of mining effluents containing sodium isopropyl xanthate (SIPX), in this work, municipal solid waste incineration fly ash (MSWI FA) was pretreated by hydrothermal method to produce stabilized FA, which was then innovatively used as support for the construction of FA/TiO2/BiOCl nanocomposite (FTB) with promoted photocatalytic activity under visible light and natural sunlight. When the content of FA was 20 wt% and the mass ratio of TiO2 to BiOCl was 4:6, a remarkable performance for the optimal FTB (20-FTB-2) was achieved. Characterizations demonstrated that TiO2 and BiOCl uniformly dispersed on FA contributing to high surface area and broad light adsorption of FTB, which exhibits excellent adsorption capacity and light response ability. Build in electric field formed in the interface of TiO2/BiOCl heterojunction revealed by density functional theory calculations accelerated the separation of photoinduced e− and h+, leading to high efficiency for SIPX degradation. The synergetic effect combined with adsorption and photocatalytic degradation endowed 20-FTB-2 superior SIPX removal efficiency over 99% within 30 min under visible light and natural sunlight irradiation. The photocatalytic degradation pathways of SIPX were determined through theoretical calculations and characterizations, and the toxic byproduct CS2 was effectively eliminated through oxidation of •O2−. For 20-FTB-2, reusability of photocatalyst was showed by cycle tests, also the concentrations of main heavy metals (Pb, Zn, Cu, Cr, and Cd) in the liquid phases released during photocatalyst preparation process (< 1 mg/L) and photodegradation process (< 8.5 μg/L) proved the satisfactory stability with low toxicity. This work proposed a novel strategy to develop efficient and stable support-based photocatalysts by utilizing MSWI FA and realize its resource utilization.

Natural ore filter cube decorated polypyrrole for effective thermal management and enhanced solar steam generator

Pursuing environmentally friendly and effective energy conversion technologies inspired research investigations into innovative materials and methods to generate solar steam. Herein, we demonstrate a novel methodology that leverages natural ore filter cubes anchored with polypyrrole (PPy) to enhance solar steam generation and effective thermal management via an in-situ polymerization technique. The natural ore filter cubes (NOFC) serve as a porous framework, offering a large surface area for excellent light absorption and hydrophilic water channels. Meanwhile, the PPy coating improves light absorption and effectively converts solar energy into thermal energy. The fabricated evaporator exhibits exceptional solar absorption capability (93 %), with a broad spectral response ranging from ultraviolet to near-infrared wavelengths (200–2500 nm). Moreover, the presence of PPy promotes an efficient evaporation rate (1.58 kg m-2h−1), resulting in rapid heating and vaporization of water under 1 kW m−2. Natural ore filter cubes with PPy coating offer salt resistance, scalability, and environmental sustainability. Finally, this research presents an exciting way to improve solar steam-generating technology for water desalination and energy conversion applications.

A novel iron metal organic framework-based nanocomposite for the synergistic degradation and adsorption of organic pollutants and Cr (Ⅵ) under visible light

In this work, a novel nitrogenous Fe-TPPE metal-organic-framework (MOF) with excellent visible light catalytic activity was successfully prepared, and a magnetic composite (Fe3O4@Fe-TPPE) with Z-type heterojunction structure was designed to synergistically treat organic pollutants and Cr(Ⅵ). The materials were carefully characterized by powder X-ray diffractometry, scanning electron microscope, Fourier transform infrared analysis, UV–visible diffuse reflectance spectra, X-ray photoelectron spectroscopy, thermogravimetric analysis, etc. The characterizations of photoelectric properties showed that the novel Fe-TPPE MOF exhibited strong response to visible light and Fe3O4@Fe-TPPE had even stronger response. Furthermore, the adsorption and photocatalytic degradation capabilities of Fe-TPPE and Fe3O4@Fe-TPPE, and the versatility as photocatalysts for aqueous pollutants were assessed through removal studies of the model pollutants tetracycline, rhodamine, methyl blue and Cr (VI). Additionally, the removal mechanism of the Fe3O4@Fe-TPPE for the above pollutants was explored. The high removal efficiency, fast magnetic separation, great recycling stability and minimal leak during application all demonstrate the good potential of Fe3O4@Fe-TPPE for practical and sustainable treatment of aqueous pollutants.

Novel magnetic separable BiOBr@Fe3O4 p-n heterostructure with highly efficient photocatalytic property toward organic pollutants

In this work, by considering good photocatalytic activity and p-type property but insufficient visible light absorbing property of BiOBr and excellent light absorption, n-type property of Fe3O4 that has poor photocatalytic property due to fast recombination of charge carriers having narrow bandgap, a solar light-active BiOBr@Fe3O4 p-n heterostructure was designed and synthesized for the first time using a versatile chemical precipitation method, combining the p-type BiOBr with the n-type Fe3O4. The developed photocatalyst underwent comprehensive investigation using various high-precision techniques. Its photocatalytic properties were assessed for the photodegradation of organic contaminants, such as Congo red (CR) and rhodamine B (Rh B), under solar light irradiation. The degree of mineralization of these pollutants by the BiOBr@Fe3O4 p-n heterostructure during photodegradation was also evaluated. Additionally, the photodegradation pathway was examined using LC-MS, and a possible mechanism were proposed. The findings reveal that the developed BiOBr@Fe3O4 p-n heterostructure exhibited exceptional photocatalytic performance, degrading 100% and 81% of Rh B and CR, respectively. Kinetic findings also indicate that the rate of photodegradations of the pollutants by the BiOBr@Fe3O4 heterostructure is approximately 7.2 and 3.4 times higher than that of pure Fe3O4 for the degradation of CR and Rh B, respectively. Besides, the developed heterojunction exhibited better photocatalytic performance than existing photocatalysts for photodegradation of CR and Rh B. The total organic carbon content (TOC) analysis further demonstrates the exceptional mineralization properties of the fabricated photocatalyst toward the pollutants. Therefore, the developed BiOBr@Fe3O4 p-n heterostructure shows promise in the treatment of these organic pollutants, contributing significantly to environmental remediation, particularly in photocatalysis.

Shape Memory Polyurethane Composite With Fast Response to Near-Infrared Light Based on Tannic Acid-Iron and Dynamic Phenol-Carbamate Network.

Intelligent materials derived from green and renewable bio-based materials garner widespread attention recently. Herein, shape memory polyurethane composite (PUTA/Fe) with fast response to near-infrared (NIR) light is successfully prepared by introducing Fe3+ into the tannic acid-based polyurethane (PUTA) matrix through coordination between Fe3+ and tannic acid. The results show that the excellent NIR light response ability is due to the even distribution of Fe3+ filler with good photo-thermal conversion ability. With the increase of Fe3+ content, the NIR light response shape recovery rate of PUTA/Fe composite films is significantly improved, and the shape recovery time is reduced from over 60 s to 40s. In addition, the mechanical properties of PUTA/Fe composite film are also improved. Importantly, owing to the dynamic phenol-carbamate network within the polymer matrix, the PUTA/Fe composite film can reshape its permanent shape through topological rearrangement and show its good NIR light response shape memory performance. Therefore, PUTA/Fe composites with high content of bio-based material (TA content of 15.1-19.4%) demonstrate the shape memory characteristics of fast response to NIR light; so, it will have great potential in the application of new intelligent materials including efficient and environmentally friendly smart photothermal responder.

Solar enhanced oxygen evolution reaction with transition metal telluride.

The photo-enhanced electrocatalytic method of oxygen evolution reaction (OER) shows promise for enhancing the effectiveness of clear energy generation through water splitting by using renewable and sustainable source of energy. However, despite benefits of photoelectrocatalytic (PEC) water splitting, its uses are constrained by its low efficiency as a result of charge carrier recombination, a large overpotential, and sluggish reaction kinetics. Here, we illustrate that Nickel telluride (NiTe) synthesized by hydrothermal methods can function as an extremely effective photo-coupled electrochemical oxygen evolution reaction (POER) catalyst. In this study, NiTe was synthesized by hydrothermal method at 145°C within just an hour of reaction time. In dark conditions, the NiTe deposited on carbon cloth substrate shows a small oxygen evolution reaction overpotential (261mV) at a current density of 10mA cm-2, a reduced Tafel slope (65.4mV dec-1), and negligible activity decay after 12h of chronoamperometry. By virtue of its enhanced photo response, excellent light harvesting ability, and increased interfacial kinetics of charge separation, the NiTe electrode under simulated solar illumination displays exceptional photoelectrochemical performance exhibiting overpotential of 165mV at current density of 10mA cm-2, which is about 96mV less than on dark conditions. In addition, Density Functional Theory investigations have been carried out on the NiTe surface, the results of which demonstrated a greater adsorption energy for intermediate -OH on the catalyst site. Since the -OH adsorption on the catalyst site correlates to catalyst activation, it indicates the facile electrocatalytic activity of NiTe owing to favorable catalyst activation. DFT calculations also revealed the facile charge density redistribution following intermediate -OH adsorption on the NiTe surface. This work demonstrates that arrays of NiTe elongated nanostructure are a promising option for both electrochemical and photoelectrocatalytic water oxidation and offers broad suggestions for developing effective PEC devices.

Photoelectrocatalytic Reduction of Cr(VI) in Wastewater with a CuBi2O4 Thin Film Photocathode

Photoelectrocatalytic approaches show promise for contaminate removal in wastewater through redox reactions. However, the direct treatment of very low concentration heavy metals is a challenging task. Copper bismuth oxide is considered as a potential photocathode material due to its appropriate bandgap width and excellent light absorption properties. In this work, we utilize copper bismuth oxide photoelectrodes with micrometer-scale pores to achieve the efficient and complete reduction of micromolar-level hexavalent chromium(VI) in wastewater. In a continuous 180 min experiment, the reduction rate of 5 µM hexavalent chromium reached 97%, which is an order lower than the drinking standard. Such a process was facilitated by the unique hierarchical microstructure of the oxide thin film and the porous morphology. On the other hand, the structural evolution during the operation was analyzed. A surface passivation was observed, suggesting the possible long-term practical application of this material. This study serves as an important reference for the application of photoelectrocatalysis in addressing Cr(VI) pollution in wastewater, with implications for improving water quality and environmental protection.

Submerged photosynthesis of TiO2-CuO hetero-nanoparticles and their multiple applications for water issues under solar light

Environmental challenges, encompassing issues like agricultural ammonia discharge, industrial organic dye misuse, and high environmental polluted water evaporation, demanded urgent attention. In response, we proposed a method for synthesizing TiO2-CuO hetero-nanoparticles capable of different environmental protection commands. Submerged Photosynthesis of Crystallites (SPSC) was adopted due to its simplicity and eco-friendliness. Hetero-nanoparticles with varying Cu-Ti ratios were prepared, characterized, and assessed. CuO dispersion within TiO2 proved consistently even. Increasing Cu content increased Cu-Ti ratio until reaching an upper limit. All nanoparticle samples demonstrated excellent solar light absorption. Combining solar illumination and electrochemical techniques synergistically boosted pollutant degradation. The nanoparticle with a Cu-Ti ratio of 0.17 exhibited optimal photo-electrochemical degradation, enhancing efficiency by 150% under solar light compared to darkness. It also outperformed solar light alone by 32% and electrochemistry alone by 2% in RhB degradation. Furthermore, it enhanced water evaporation rate under solar light. The nanoparticle with a Cu-Ti ratio of 0.52 was the highest water evaporation rate, increasing up to 104% compared to the control group. We discussed the mechanisms underlying fabrication and degradation, elucidating the observed performance. In conclusion, our research underscored the potential of TiO2-CuO hetero-nanoparticles for solar-assisted solutions to different environmental issues, highlighting their environmental applicability.

The exploration of relationship between the evolution of Cu to Cu2O/CuO and photocatalytic efficiency toward water oxidation reaction

This paper introduces a facile method to develop core-shell nanocomposite Cu/(Cu2O/CuO) through gradually oxidation on Cu nanocomposite precursors. As-prepared catalyst exhibited excellent catalytic activity in the reaction of water oxidation reaction (WOR). Comparing with the reported catalyst, Cu/(Cu2O/CuO) posed one of the highest O2 evolution around 7700 μmol g-1·h-1. By analyzing the composition of catalysts in each reaction stages, the evolution pathway of Cu towards Cu2O/CuO and the different roles of each component in catalytic water oxidation reactions were deeply studied. In presence of high conductive Cu element and excellent light absorption Cu2O, the photo generated electron and holes can be effectively separated and greatly improve the efficiency of the catalyst. The evolution process and synergistic effects of the three components play a crucial role in improving photocatalytic efficiency, which promoting the nanocomposite to be a highly efficient core-shell catalyst for WOR.

Excellent visible light absorption and ultra-high photoelectric conversion efficiency of two-dimensional (MoSe2)x(MoSTe)1-x mosaic heterostructures

Solar cells are a promising and potentially sustainable energy technology due to their cost-effectiveness, eco-friendliness, and capacity for integration into pliable apparatuses. Developing new photovoltaic materials to achieve higher photovoltaic conversion efficiency is a hot topic in the field of solar cells. In this work, the electronic structures and optical properties of two-dimensional (MoSe2)x(MoSTe)1-x mosaic heterostructures have been studied by density functional theory. Our results show that the mosaic heterostructures retain semiconductors with tunable band gap of 1.14–1.53 eV. With the augmentation of MoSe2 concentration in the mosaic heterostructures, the band gap of the materials has gradually increased. Besides, the mosaic heterostructures exhibit excellent optical absorption in the visible light region. Furthermore, the maximum theoretical photoelectric conversion efficiency of (MoSe2)0.80(MoSTe)0.20 mosaic heterostructure can reach 32.36 %. The tunable band gap, excellent light absorption, and ultra-high photoelectric conversion efficiency of (MoSe2)x(MoSTe)1-x mosaic heterostructures make them candidates for new nanocrystalline thin-film solar cells.

The prediction of two-dimensional PbN: opened bandgap in heterostructure with CdO.

The development of two-dimensional (2D) materials has received wide attention as a generation of optoelectronics, thermoelectric, and other applications. In this study, a novel 2D material, PbN, is proposed as an elemental method using the prototype of a recent reported nitride (J. Phys. Chem. C 2023, 127, 43, 21,006-21014). Based on first-principle calculations, the PbN monolayer is investigated as stable at 900K, and the isotropic mechanical behavior is addressed by the Young's modulus and Poisson's ratio at 67.4Nm-1 and 0.15, respectively. The PbN monolayer also presents excellent catalytic performance with Gibbs free energy of 0.41eV. Zero bandgap is found for the PbN monolayer, and it can be opened at about 0.128eV by forming a heterostructure with CdO. Furthermore, the PbN/CdO is constructed by Van der Waals interaction, while the apparent potential drop and charge transfer are investigated at the interface. The PbN/CdO heterostructure also possesses excellent light absorption properties. The results provide theoretical guidance for the design of layered functional materials.