Low Band Gap Research Articles

Lanthanide‐Based Molecular Magnetic Semiconductors

AbstractMagnetic semiconductors, with integrated properties of ferromagnets and semiconductors, are significant for developing next‐generation spintronic devices. Herein two atomically precise clusters of dysprosium(III) tellurides, formulated respectively as [Na2(15‐crown‐5)3(py)2][(η5‐Cp*Dy)5(Te)6](py)4 (Dy5Te6, Cp*=pentamethylcyclopentadienyl; py=pyridine) and [K(2,2,2‐cryptand)]2[(η5‐Cp*Dy)6(Te3)(Te2)2(Te)3] (Dy6Te10), are reported. Crystallographic studies revealed the presence of multifarious tellurido ligands within the polyhedral cluster cores. Spectroscopic and magnetic studies showed that both clusters are single‐molecule magnets exhibiting slow magnetic relaxation behaviors at low temperatures and semiconductors with low optical band gaps comparable to benchmark semiconductors. These clusters represent probably the first lanthanide‐based molecular magnetic semiconductors.

Exploring the photocatalytic breakdown of organic pollutants using intercalated ZnO/SiO2 nanocomposites

The increasing prevalence of organic pollutants in water sources necessitates the development of efficient and cost-effective photocatalysts for their degradation. ZnO nanoparticles (NPs) have been widely studied for their photocatalytic properties; however, their application is hindered by low photocatalytic efficiency and high recombination rates of photogenerated carriers. This manuscript explores the enhanced photocatalytic performance of intercalated ZnO/SiO2 nanocomposites (NCs), synthesized through a combination of co-precipitation and Stöber methods, as a solution to these challenges. A comprehensive analysis of the structural, optical elemental and Morphological properties of both ZnO NPs and ZnO/SiO2 NCs was conducted using various characterization techniques, including X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), UV–Vis spectrometry and Brunauer-Emmett-Teller (BET) analysis. Through, XRD analysis, the calculated crystallite sizes of ZnO NPs and ZnO/SiO₂ NCs were found to be 36 nm and 39 nm respectively. TEM images illustrated that the ZnO NPs and ZnO/SiO₂ NCs have crystallized in elongated spherical morphology. XPS and FTIR analyses provided the signature band details the presence of Cu and Si in their Zn2⁺ and Si⁴⁺ oxidation states. The optical bandgap energies were calculated to be 3.38 eV for ZnO NPs and 3.22 eV for ZnO/SiO₂ NCs. The enhanced photocatalytic efficiency of the ZnO/SiO2 NCs achieved an impressive degradation rate of 92 % for Rhodamine B (RhB), compared to a relatively lower rate of 81 % for pure ZnO NPs for the degradation of RhB under visible light due to its lower bandgap, high surface area, and lower electron-hole recombination rate. BET surface area measurements revealed that ZnO nanoparticles have a surface area of 11.234 m2/g, while ZnO/SiO₂ NCs show 57.118 m2/g, highlighting SiO₂'s enhancement. The NCs demonstrated exceptional reusability for degradation, sustaining high efficiency across multiple cycles. Its ability to scavenge superoxide radicals highlighted the effectiveness of the ZnO/SiO₂ NCs in environmental remediation, especially for wastewater treatment.

High temperature dependent absorber-emitter pair nanostructure metamaterial matched with low band-gap PV cell for solar thermo photovoltaic application

High temperature dependent absorber-emitter pair nanostructure metamaterial matched with low band-gap PV cell for solar thermo photovoltaic application

Enhanced Absorption in SnS/SnSe, SnS/ZnS, and SnS/ZnSe vdW Heterostructures for Optoelectronic Applications: DFT Insights

Abstract The electronic and optical properties of monolayers of tin monochalcogenides and zinc monochalcogenides are elucidated by utilizing density functional theory. The calculated results indicate that the monolayers of tin monochalcogenides (SnS and SnSe) have low bandgap and significant absorption in some segments of the visible region (~400 nm to ~500 nm). However, the monolayers of zinc monochalcogenides (ZnS and ZnSe) have wide bandgap and negligible absorption in the visible region, which limits their optical performance. Despite low absorption in visible region, ZnS and ZnSe exhibit fascinating properties such as wide band gap, cheapness, low toxicity, earth abundance, structural stability, and high refractive index. To identify the combined potential of zinc and tin, the van der Waals heterostructures SnS/SnSe, SnS/ZnS, and SnS/ZnSe are formed, and their optical and electronic properties are calculated. The calculated results illustrate that the formed heterostructures exhibit bandgap lowering and enhanced visible light absorption. The optical absorption is entirely shifted towards the visible region due to the formation of heterostructure (redshift). The enhanced visible light absorption and narrowed bandgap of the formed heterostructures make them a potential candidate for the fabrication of optoelectronic devices and solar cells.

Designing ferrocenyl thiophene chalcones as light harvester candidates for dye-sensitized solar cells

In dye-sensitized solar cells (DSSCs), the dye (or photosensitizer) plays a crucial role. It absorbs light and generates electrons, which affects the efficiency of converting sunlight into electricity. While Ru(II)-based dyes are common in DSSCs, their scarcity, susceptibility to degradation, and limited absorption range pose challenges for wider adoption. Three new ferrocenyl-thiophene compounds have been synthesized, all sharing the same core structure, but the distinctive difference is the existence of methyl group (CH3) and bromine (Br) substituents attached to the thiophene ring. Using the structures obtained from spectroscopic and X-ray crystallography analyzes, the chemical reactivity of these compounds is theoretically evaluated. Cyclic voltammetry (CV) analysis and electrochemical impedance spectroscopy (EIS) were employed to investigate the redox properties and electron transport mechanisms of the material. The bromination process demonstrates its efficacy for dye applications, while the methyl attachment to the thiophene ring enhances anchoring toward TiO₂, contributing to improved performance in DSSCs. Overall, the compound featuring bromine exhibited a lower band gap compared to the others, resulting in higher efficiency in solar simulation analysis, nearly double that of the methyl-containing compound, and significantly surpassing the plain thiophene compound. EIS analysis revealed that, among the three ferrocenyl chalcone dyes, the bromine-containing compound exhibited the highest charge recombination resistance and longest electron lifetime.

Synergy of photoluminescence emission and antibacterial activity of Ag-Cu2O nanocomposite

Conglomerate nanocomposites comprising metal and metal oxide hold significant potential for exhibiting properties that surpass the combined characteristics of their individual components, owing to the interactions occurring at the interfaces between the metal and metal oxide elements. In this study, we present the synthesis of Cu2O nanoparticles (NPs) (with diameters ranging from 40 to 53 nm) and Ag-Cu2O nanocomposites using an aqueous solution method at room temperature, employing varying concentrations of Ag NPs. Through optical absorption studies, we determined the optical band gap of Cu2O NPs in 0.5Ag-Cu2O, 1Ag-Cu2O, and 1.5Ag-Cu2O nanocomposites samples to be 2.13 eV, 2.25 eV, 2.34 eV, and 2.41 eV, respectively. The x-ray diffraction data are analysed using the Williamson–Hall technique and revealed noteworthy variations in microstructural characteristics such as strain and stress within the Cu2O nanocrystallites fabricated under different Ag concentrations. The nanocomposites amplified the intensities of violet-blue, blue, and green photoluminescence (PL) emissions, attributable to the interfaces between Ag and Cu2O, lattice mismatches, and the induced microstructural parameters lattice strain, and stress of Cu2O nanocrystallites. The enhanced PL intensities can be attributed to the influence of the local electric field on the Ag core composites. The Ag-Cu2O nanostructure exhibits potential applications in water purification technologies, while the PL emission properties and low band gap (∼2.13 eV) hold promising applications in optoelectronic devices. The antibacterial activities of Cu2O and Ag-Cu2O nanomaterials against Enterococcus faecalis and Escherichia fergusonii are examined using MH agar well plate diffusion methods. Here, Ag NPs enhance bactericidal effectiveness through enhanced interaction with bacteria and the release of Ag+ ions, while the Cu2O shell discontinuity on Ag NPs contributes to their unique antibacterial properties.

Effect of iron doping on nickel aluminate photocatalytic activity towards the degradation of methylene blue under visible and UV light

The major issue that industries have is the degradation of organic dye in wastewater. In this study, we introduce an iron-doped spinel-type photocatalyst for dye degradation. Due to advantages like a lower band gap, and favorable magnetic characteristics, iron-doped nickel aluminate can be a viable catalyst for dye degradation. Nickel aluminate and iron-doped Nickel aluminate NiAl2-xFexO4 (x = 0.05, 0.1, 0.5, and 1.0) were synthesized by the sol-gel method using citric acid as a capping agent. The obtained samples were calcined at 800 °C for 4 h. The spinel was characterized using X-ray diffraction (XRD) which helped in the identification of the purity of the phase and the calculation of the average crystallite size. Fourier Transform Infrared (FT-IR) spectra confirmed the presence of iron in the octahedral site; (SEM-EDAX) Scanning Electron Microscopy facilitated the surface morphology and Energy-Dispersive X-ray analysis provided the elemental confirmation and UV-DRS techniques assisted in the calculation of the band gap using the Tauc plot method. Photocatalytic efficiency was investigated against the cationic dye Methylene blue under UV and Visible light. The results showed degradation of 94.25% under UV light and 83.51% under visible light in 90 min and 150 min respectively using iron-doped nickel aluminate.

A-Site Engineering with Thiophene-Based Ammonium for High-Efficiency 2D/3D Tin Halide Perovskite Solar Cells.

TTin halide perovskites are the most promising candidate materials for lead-free perovskite solar cells (PSCs) thanks to their low toxicity and ideal bandgap energies. The introduction of 2D/3D mixed perovskite phases in tin-based PSCs (TPSCs) has proven to be the most effective approach to improving device efficiency and stability. However, a 2D perovskite phase normally shows relatively low carrier mobility, which will be unfavorable for carrier transfer in the devices. In this work, we used a thiophene-based cation 2-(thiophen-3-yl)ethan-1-aminium (3-TEA) as a spacer to form a novel 2D perovskite phase in TPSCs, which shows the most promising effect on the performance enhancement in comparison with other cations like 2-(thiophen-2-yl)ethan-1-aminium (2-TEA) and benzene-based 2-phenylethan-1-aminium (PEA). Theoretical calculations reveal that 3-TEA enables the most compact crystal packing of [SnI6]4- octahedral layers, resulting in the lowest hole effective mass and formation energy in the 2D phase. This effect significantly enhances device efficiency and stability by facilitating more efficient carrier transfer within the 2D phase. These findings indicate that thiophene-based 2D perovskites are well-suited for high-performance TPSCs.

A‐Site Engineering with Thiophene‐Based Ammonium for High‐Efficiency 2D/3D Tin Halide Perovskite Solar Cells

TTin halide perovskites are the most promising candidate materials for lead‐free perovskite solar cells (PSCs) thanks to their low toxicity and ideal bandgap energies. The introduction of 2D/3D mixed perovskite phases in tin‐based PSCs (TPSCs) has proven to be the most effective approach to improving device efficiency and stability. However, a 2D perovskite phase normally shows relatively low carrier mobility, which will be unfavorable for carrier transfer in the devices. In this work, we used a thiophene‐based cation 2‐(thiophen‐3‐yl)ethan‐1‐aminium (3‐TEA) as a spacer to form a novel 2D perovskite phase in TPSCs, which shows the most promising effect on the performance enhancement in comparison with other cations like 2‐(thiophen‐2‐yl)ethan‐1‐aminium (2‐TEA) and benzene‐based 2‐phenylethan‐1‐aminium (PEA). Theoretical calculations reveal that 3‐TEA enables the most compact crystal packing of [SnI6]4‐ octahedral layers, resulting in the lowest hole effective mass and formation energy in the 2D phase. This effect significantly enhances device efficiency and stability by facilitating more efficient carrier transfer within the 2D phase. These findings indicate that thiophene‐based 2D perovskites are well‐suited for high‐performance TPSCs.

Exploring the impact of end-capped benzothiazine-based acceptors to lead the photovoltaic properties of solar cells: A DFT/TD-DFT approach

To improve the solar cells performance, usually end-capped acceptors are used in designing of new molecules. Therefore, in this study, the side-chain and end-capped moieties were modified in reference compound (BTZR) and proposed new compounds (BTZD1-BTZD6) to augment their photovoltaic and optoelectronic properties. The density functional method was employed at the M06/6-311G(d,p) level to optimize and interpret their frontier molecular orbitals (FMOs), density of states (DOS), transition density matrix (TDM), exciton binding energy (Eb), light absorption and open circuit voltage (Voc) characteristics. Their global reactivity parameters (GRPs) were calculated via the HOMO-LUMO energy band gap. Further, it was observed that all the investigated compounds showed lower band gaps (2.975–3.160 eV) and bathochromic shifts in the visible region (482.501–504.223 nm). Various plots such as the DOS, TDM and hole-electron further confirmed the efficiency of designed chromophores. Additionally, an interface of model donor–acceptor was constructed by considering the donor polymer (PBDB-T) and designed NFAs. Significant results were obtained for Voc (1.538–1.772 V). Among the selected candidates, BTZD3 and BTZD5 were obtained as high-performance non-fullerene acceptors (NFAs). They exhibited least band gaps (2.988 and 2.975 eV) and highest λmax (504.223 and 498.606, respectively). These compounds also demonstrated the least exciton binding energy values as 0.529 and 0.488 eV, respectively. Besides this, comparative study with the standard hole transport material (HTM) spiro-OMeTAD showed a reasonable agreement, suggesting that the entitled compounds could serve as effective HTMs. Overall, the findings suggested the crucial role of end-capped modification in elevating the charge mobility and photovoltaic characteristics of BTZD1-BTZD6. This study provides a valuable insight in the development of good photovoltaic materials.

Graphite–Phosphate Composites: Structure and Voltammetric Investigations

The utilization of lithium-ion batteries (LIBs) is increasing sharply with the increasing use of mobile phones, laptops, tablets, and electric vehicles worldwide. Technologies are required for the recycling and recovery of spent LIBs. In the context of the circular economy, it is urgent to search for new methods to recycle waste graphite that comes from the retired electrode of LIBs. The conversion of waste graphite into other products, such as new electrodes, in the field of energy devices is attractive because it reduces resource waste and processing costs, as well as preventing environmental pollution. In this paper, new electrode materials were prepared using waste anode graphite originating from a spent mobile phone battery with an xBT·0.1C12H22O11·(0.9-x)(NH4)2HPO4 composition, where x = 0–50 weight% BT from the anodic active mass of the spent phone battery (labeled as BT), using the melt quenching method. Analysis of the diffractograms shows the graphite crystalline phase with a hexagonal structure in all prepared samples. The particle sizes decrease by adding a higher BT amount in the composites. The average band gap is 1.32 eV (±0.3 eV). A higher disorder degree in the host network is the main factor responsible for lower band gap values. The prepared composites were tested as electrodes in an LIB or a fuel cell, achieving an excellent electrochemical performance. The voltammetric studies indicate that doping with 50% BT is the most suitable for applications as electrodes in LIBs and fuel cells.

Synthesis of sulfone bridged 2D porphyrin assembly for enhanced photocatalytic oxygenation of sulfide

In the present work, we have synthesized sulfone-bridged tetraphenyl porphyrin, 2D polymer ‘P’ (C44H28N4OySx)n through a one-pot reaction of tetra(p-bromophenyl) porphyrin, S with sulfur powder in DMF. The polymer ‘P’ has been further reacted with erythrosine B for the fabrication of composite photocatalyst, C (C65H37N4NaOySx)n using donor– acceptor conjugation protocol. Herein, both compounds (P & C) have been well characterized by MAS 13C-NMR, XPS, IR, powder XRD, TGA, SEM-EDX, UV-Vis spectra, and Cyclic Voltammetry. Due to the low HOMO-LUMO band gap energy, the applicability of the composite photocatalyst (C, 2.1 eV) has been studied in terms of oxidation of sulfide to sulfoxide. The present work shows a promising route for the development of sulfone-bridged 2D porphyrin covalent organic framework (COF) and its composite photocatalyst as well as its usage in photocatalytic sulfoxidation reaction.

Layered bismuthene forming the interfacial pathway for rapid charge transfer in CuNb13O33/g-C3N5 photocatalyst for enhancing ciprofloxacin degradation

The objective of the present research was to examine the usefulness of the photocatalytic degradation process in removing the ciprofloxacin drug from wastewater, which is difficult to remove from waterbodies. To tackle this difficulty, a ternary copper niobium oxide/carbon nitride/layered bismuthene heterostructure (CuNb13O33/g-C3N5-L-Bi) composite was developed by an intuitive solvothermal process. layered bismuthene (L-Bi) was prepared using a unique ball milling approach. According to the results of the characterization, adding L-Bi and g-C3N5 with a low band gap to the original band structure of CuNb13O33 makes it more efficient. After 120 min of irradiation, the modified CuNb13O33/g-C3N5-L-Bi sample significantly improved ciprofloxacin degradation, resulting in a degradation rate of 98 %. In addition, the impact of the catalyst that has been created on the removal of ciprofloxacin at various pH, catalyst dosages, and scavengers was also examined, demonstrating the catalyst’s suitability for purifying natural water environments. A detailed study of the steps used to break down ciprofloxacin has shown that many active species are involved, with a focus on the important roles played by reactive oxidative species (ROS). Thus, this study introduces a novel combination of layered bismuthene photocatalysts for environmentally friendly degradation of antibiotics.

Phyto-mediated synthesis of ZnO nanoparticles and their sunlight-driven photocatalytic degradation of cationic and anionic dyes

Abstract In this study, zinc oxide-based nanocatalysts were biosynthesized using Ocimum basilicum (OB) and Olea africana (OA) leaf aqueous extracts, termed OB-ZnO and OA-ZnO, as a simple, affordable, and environmentally friendly approach. Their characteristics and efficacy in photodegrading cationic dyes (crystal violet and methylene blue) and anionic dyes (methyl orange and naphthol blue black) were investigated. The catalyst’s properties were analyzed using various techniques, including Fourier transform infrared, X-ray diffraction, photoluminescence, thermogravimetric analysis, UV-Vis, transmission electron microscopy, energy-dispersive X-ray spectroscopy, and Brunauer–Emmett–Teller. Analysis revealed pure products having a hexagonal wurtzite structure, crystallite sizes of 15.04 and 21.46 nm, surface areas of 23.65 and 7.97 m2/g, particle sizes of 35 and 170 nm with spherical (uniform) and oval-like (non-uniform) shapes, and optical bandgaps of 3.15 and 3.05 eV, respectively. Photocatalytic applications under sunlight indicated excellent activity of both catalysts against targeted cationic and anionic dyes. Most notably, even though OA-ZnO has a lower surface area than OB-ZnO, it demonstrated greater efficiency. The variation in effectiveness is explained by the lower bandgap value of OA-ZnO and its ability to reduce electron–hole recombination due to its larger crystal size, which accelerates the degradation process. Additionally, both catalysts exhibited high stability after being used four times.

Effects of nickel substitution on structural, magnetic and optical properties of Sillenite bismuth ferrite nanoparticles

The Ni-doped Bi25FeO40 nanoparticles [Bi25 NixFe(1-x)O40, x = 0.1, 0.3, and 0.5] were synthesized by the hydrothermal method at a temperature of 180 °C. The effects of the Ni substitute on the structural, optical, magnetic, and photocatalytic performance have been investigated. The successful synthesis of the materials was confirmed by Rietveld's refined powder X-ray diffraction and Fourier transform infrared spectroscopy. Scanning electron microscopy together with energy dispersive X-ray spectroscopy (EDS) revealed the morphology of the synthesized nanomaterials as well as its chemical composition. The studied materials exhibited anomalous magnetic properties as evident from the vibrating sample magnetometry (VSM) analysis. These features display a weak ferromagnetic nature and demonstrate increased magnetization when doping elements are incorporated. Furthermore, Optical analysis revealed that bandgaps of Bi25NixFe(1-x)O40 were found to be increased from 2.06 eV to 2.31 eV with increasing Ni content. Additionally, the expansion of sillenite bismuth nickel ferrite's optical bandgap was further confirmed by the photocatalytic degradation of methylene blue as a model dye under the low-power white LED illumination. Lower bandgap undoped nanoparticles showed the highest photocatalytic efficiency, with a degradation rate of ∼43.11 % compared to higher bandgap doped nanoparticles, without adjustment of any reaction conditions such as pH or catalyst amount. The kinetic reaction rate of undoped Bi25FeO40 was roughly twice as fast as that of the material doped with 50 % Ni.

Low Band Gap Furan‐Flanked Diketopyrrolopyrrole‐Naphthobisthiadiazole Based Conjugated Polymer/Stretchable Blend for Organic Field Effect Transistors

AbstractN‐type organic semiconducting materials that are compatible in stretchable organic field effect transistors (OFETs) still lag in performance behind that of p‐type materials. Herein, a n‐type conjugated polymer (DPPF‐NTz) is reported that comprises a furan flanked diketopyrrolopyrrole (DPPF) as a monomer and napthobisthiadiazole (NTz) as a comonomer units, respectively, in a conjugated polymer backbone. The low band gap of 1.34 eV and suitable frontier energy levels allow its utilization in OFETs as an n‐type semiconducting material. Optimized bottom‐gate top contact OFETs based on chloroform and chloroform: o‐dichlorobenzene processed DPPF‐NTz showed a maximum electron mobility (µe) of 0.00042 cm2 V⁻¹ s⁻¹ and 0.00078 cm2 V⁻¹ s⁻¹, respectively, in devices annealed at 150 °C. Interestingly, upon mixing the DPPF‐NTz with a stretchable polymer, polystyrene‐block‐poly(ethylene‐ran‐butylene)‐block‐polystyrene (SEBS), yielded a stretchable semiconducting polymer composite, which displayed an enhanced µe of 0.0024 cm2 V⁻¹ s⁻¹ in devices annealed at 250 °C over pristine DPPF‐NTz. The improved µe and mechanical stretchability of the DPPF‐NTz: SEBS polymer blend over pristine DPPF‐NTz polymer is examined by nano‐mechanical atomic force microscopy. The research investigation finding provides a critical insight into the structural and nano‐mechanical properties of n‐type stretchable polymer semiconductors, which are essential for the development of next‐generation wearable OFETs.

Investigation of a new group of low band-gap semiconducting double perovskite K2MgSnZ6 (Z = Cl, Br, & I) materials and their structural, electronic, mechanical, and optical behaviors via DFT study

This study focuses on potassium based double perovskite materials, specifically a series of K2MgSnZ6 (Z = Cl, Br, & I) halide materials. For the investigated materials, all primary calculations were performed using the Full-Potential Linearized Augmented Plane-Wave (FP-LAPW) method, supported by density functional theory (DFT), and implemented in the WIEN2k code. The Gold-Schmidt tolerance factor values confirm the structural stability of the compounds, while the negative values of formation energy indicate the feasibility of experimental synthesis of the studied materials. The lattice constants were observed to increase as the halide element at the ‘Z’ position was replaced by one with a larger ionic radius. The recorded band-gap values were 2.60 eV, 2.00 eV, and 1.37 eV for K2MgSnCl6, K2MgSnBr6, and K2MgSnI6, respectively. After calculating the elastic constants for all K2MgSnZ6 (Z = Cl, Br, & I) materials, it was found that they satisfy the primary conditions for Born stability required for cubic-phase materials: (1) C11 > B > C12, (2) C11 + 2C12 > 0, (3) C11 > 0, (4) C44 > 0, and (5) C11–C12 > 0. The optical parameters of the K2MgSnZ6 (Z = Cl, Br, & I) double perovskite materials suggest that these materials could play a significant role in practical applications such as solar cells, UV detectors, and various optoelectronic devices.

Rational Design of Highly Porous Donor-Acceptor Based Conjugated Microporous Polymer for Photocatalytic Benzylamine Coupling Reaction.

Conjugated microporous polymers (CMPs) are an important class of organic materials with several useful features like, inherent nanoscale porosity, large specific surface area and semiconducting properties, which are very demanding for various sustainable applications. Carbazole building blocks are extensively used in designing photocatalysts due to easy electron donation and hole transportation. In the current study, a new CMP material CBZ-CMP containing carbazole unit used for photocatalytic C═N coupling reaction under blue light irradiation is designed. The CBZ-CMP framework is made through the polycondensation of 4,4'-di(9H-carbazol-9-yl)-1,1'-biphenyl using FeCl3 as a catalyst. The CBZ-CMP shows very high BET surface area of 1536 m2 g-1 together with unimodal porosity (ca. 1.7nm supermicropore), nanowire-like particle morphology (16-18nm diameter), and low band gap property. The bi-phenyl moiety functions as the electron accepting center and the carbazole unit acts as the donor center, which accounts for the low band gap energy of CBZ-CMP. This nanoporous semiconducting CBZ-CMP material for photocatalytic benzylamine coupling reaction is explored, where it shows good conversion together with high selectivity under mild reaction conditions. This study offers simple method of preparation of a D-A-D-based porous photocatalyst for sustainable synthesis of value-added organics.

Study of internal electric field and interface bonding engineered heterojunction for high stability lithium-ion battery anode

In this paper, SnO2/Ni2SnO4 heterojunctions were grown on NF by a simple secondary hydrothermal method. DFT-based calculations show that the SnO2/Ni2SnO4 heterojunction has excellent thermal stability with a low band gap (1.7 eV) and Li+ diffusion barrier (0.822 eV), which is attributed to the generation of an internal electric field that promotes carrier transport. Electrochemical tests showed that the initial capacity of SnO2/Ni2SnO4/NF was 1401 mAh g-1, and its capacity was 970 mAh g-1 after 200 charge/discharge cycles, which is attributed to metal-oxygen bonds at the interface and a special microsphere structure to improve the stability of the materials. In addition, the electrochemical behavior of SnO2/Ni2SnO4/NF is dominated by capacitive behavior, resulting in excellent rate performance. The synthesis of SnO2/Ni2SnO4/NF provides a reference for designing other heterojunctions anode materials.

The Effect of Indium Tin Oxide Nanoparticles (ITO NPs) Incorporated with ZnO NPs based on Structural, Optical and Flexible Dye Sensitized Solar Cells (FDSSCs) Application.

This study aimed to investigate the impact of zinc oxide nanoparticles (ZnO NPs) doped with indium tin oxide nanoparticles (ITO NPs) on polymer-based dye-sensitized solar cells (DSSCs). The ZnO NPs and ITO NPs were synthesized using the sol-gel and co-precipitation methods, respectively. They were then characterized and applied for dye-sensitized solar cells of a polymer-based substrate. Transmission electron microscopic (TEM) analysis revealed the presence of hexagonal structures and small spherical nanoparticles. The mean diameter of the ZnO NPs was found to be 15.22 ± 0.11 nm, while the ZnO NPs doped with ITO NPs (ZnO NPs/ITO NPs) had a mean diameter of 14.54 ± 0.16 nm. The effects of the ITO NPs on the ZnO NPs were evaluated, and it was found that these ITO NPs enhanced the performance of the flexible electrode DSSCs. After the addition of ITO NPs, the power conversion efficiency (PCE) of the ZnO NPs was boosted to be three times higher than that of the ZnO NPs DSSCs without ITO NPs. Similarly, the ultraviolet (UV) band exhibited a red shift, resulting in a lower band gap and reduced charge transfer resistance, which can enhance the PCE of the DSSCs. The polyethylene terephthalate (PET)/indium tin oxide (ITO) (PET/ITO) substrate conductive polymer showed positive outcomes for DSSCs. The PCE value for ZnO NPs was 2.198 ± 0.14%, while for ZnO NPs/ITO NPs, it was 6.680 ± 0.12%. This work achieved remarkable and competitive performance when compared to a solid (indium tin oxides/glass)-based substrate.