Lower Band Gap Energy Research Articles

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.

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.

Novel Indolenine-Based hemicyanine dyes with extended π-Linker and auxiliary donor as potential Photosensitizers: Synthesis, Photophysical, electrochemical and computational Insights

Three novel hemicyanine dyes, D1-D3, were synthesized successfully based on dimethylaniline (DMA) and TPA donors and a carboxylated indolium vinyl acceptor linked through benzene unit as an extended π-spacer or through PTZ unit as an auxiliary donor to form the D1-π-A, D2-π-A & D2-D3-A systems, respectively. A multi-step process was conducted to yield the desired donor and acceptor intermediates. These were finally coupled through the Suzuki-Miyaura coupling and Knoevenagel condensation reactions to obtain the desired target dyes. A panchromatic response and a bathochromic shift of the ICT band maxima in the visible region were observed with the lowest band gap energy, Eg = 1.71 eV and λabs., max. = 590 nm, given by dye D3, were attributed to the presence of the auxiliary donor, PTZ. However, due to the high coplanarity of dye D1 it showed the highest absorptivity value of ε = 36462 M−1cm−1. The HOMO and LUMO levels are within the range suitable for smooth dye regeneration and electron ejection, EHOMO = -5.37 to −5.18 eV, and ELUMO = -3.47 to −3.27 eV. The density functional theory (DFT) and time-dependent TD-DFT at the B3LYP/6-31G(d,p) level were conducted to explore the bridged effect on geometric and TD-BHandH/6-31G(d,p) for optoelectronic properties.

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.

In Situ Driven Formation of Anatase/Brookite/Rutile Heterojunction N/TiO2 Nanocrystals as Sustainable Visible-Light Catalysts.

Visible-light active anatase/brookite/rutile (A/B/R) ternary N-doped titania (N/TiO2) crystals are successfully prepared by a facile sol-gel method using titanium butoxide and benign N-dopant source, guanidinium chloride. Systematically varying the aging time (1, 4, 8, and 12 d), its influence on physicochemical properties of as-obtained spherical heterojunction nanomaterials is studied. Detailed characterizations confirm that a substantial amount of anatase (88% to 50%) is transformed to rutile (2% to 38%) via intermediate brookite phase (9% to 25%) as the function of aging time; not only the A/B/R phase content of the samples is tuned by sol-gel aging time of the precursors solution but also their optical-response and methylene blue photocatalytic properties are profoundly dictated. Notably under visible-light irradiation, the photostable rutile rich mesoporous A/B/R triphasic N/TiO2 (50% A, 12% B, 38% R) aged for 12 d demonstrates higher degradation activity (97%) with a faster degradation rate (0.033 min-1) than both lesser aged N/TiO2 and undoped titania. This enhancement is attributed to the synergistic effect of interstitial-N-doping and optimal A/B/R interfacial charge transfer that leads to higher light absorption, lower bandgap energy and well-separated charge carriers. The current work provides a new perspective for designing highly active visible-light heterostructure nanomaterials with controllable phase composition.

The Differential Influence of Biochar and Graphite Precursors on the Structural, Optical, and Electrochemical Properties of Graphene Oxide

This study investigates the synthesis and characterization of graphene oxide (GO) derived from two distinct precursors: graphite and pyrolyzed acacia wood sawdust via a modified Hummers method. As hypothesized, the commercial graphite-derived GO (GOG) exhibited a more ordered structure characterized by a well-defined diffraction peak with interlayer separation of 0.86 nm and crystalline order of 8.18 nm, consistent with extensive oxidation. Conversely, the biochar-derived GO (GOB) displayed a heterogenous structure with a less defined (001) plane and an emerging (002) plane corresponding to mixed hybridization states (sp2/sp3) and mixed crystallinity at different regions in the materials. Additionally, it retained excess aromatic carbons (C-H bond) on its basal plane increasing its disorderliness and defect density. As a result, despite the G bands showing greater incorporation of functional groups in GOG, GOB recorded a higher ID/IG ratio (0.95 vs. 0.93). By retaining a relatively higher proportion of sp2 domains, GOB demonstrated enhanced light absorption through additional electronic transmission evident by its lower bandgap energy (2.93) compared to GOG (4.20), extending absorption into the visible range. Its improved properties were further characterized by enhanced conductivity, surface area, porosity, and decreased charge transfer and ion diffusion resistance. The study emphasizes that the nature of defects and their distribution, influenced by the precursor material can influence GO properties than those predicted by oxidation levels alone. It opens a new pathway to exploring bio-precursors and their potential in tailoring the properties of GO for specific applications.

Structural and optoelectronic study of MgLiX3 (X= Cl, Br, and I) halide perovskites: A DFT approach

This article presents in-depth information on the structural and optoelectronic properties of MgLiX3 (X = Cl, Br, and I) perovskites, and it suggests that MgLiX3 perovskites are promising materials for use in a variety of optoelectronic gadgets. The structural and optoelectronic properties of the compounds are determined utilizing first-principles calculations, with the density functional theory applied through the WIEN2k code. The structural stability was verified by computing the formation energy and binding energy. This study investigated the behavior of electronic conductivity and determined the bandgap values by employing TB-mBJ, which are 3.354 eV (MgLiCl3), 1.728 eV (MgLiBr3), and 0.067 eV (MgLiI3). Furthermore, optical properties such as absorption coefficient, reflectivity, conductivity, loss function, dielectric function, refractive index, and extinction coefficient were calculated and analyzed. In the visible range, MgLiBr3 and MgLiI3 exhibit their primary highest peaks of the absorption coefficient, which are 8.8 × 104 cm−1 for MgLiBr3 and 7.7 × 104 cm−1 for MgLiI3. On the other hand, MgLiCl3 demonstrates its initial highest peaks in the UV range, that is, 9 × 104 cm−1. The findings indicate that among the compounds studied, MgLiBr3 shows promise as a candidate for manufacturing solar cell devices based on the SQ limit, bandgap for typical perovskites (within 0.8–2.2 eV), and absorption in the visible range. MgLiCl3 is suitable for manufacturing several optoelectronic devices, such as laser diodes (LDs) and UV sensors due to having a high absorption coefficient in the ultraviolet region. With its low energy bandgap and high absorption coefficient in the IR to VR regions, MgLiI3 is well-suited for manufacturing photodetectors, LEDs, and other optoelectronic devices.

Structural defect regulation in corundum-type medium-entropy oxides for enhanced infrared emissivity performance at high temperature

With the increasing demand in industry and hypersonic vehicles, advanced materials with high-performance infrared radiation need to be developed. Herein, two corundum-type medium-entropy oxide ceramics M3 (Al1/3Cr1/3Fe1/3)2O3 and M4 (Al0.25Cr0.25Fe0.25Ga0.25)2O3 were prepared by solid-state reaction method at different temperatures. Their chemical structure and infrared emissivity performance were analyzed through systematic experiments and theoretical analysis. Compared to the M3, M4 prepared at 1773 K possessed more preeminent emissivity performance, exhibiting emissivity values of 0.917, 0.912 and 0.90 in the wavelength of 0.2–0.78 μm, 0.78–2.50 μm and 2.5–14 μm, respectively. Meanwhile, the infrared emissivity of M4 still could exceed 0.85 at 800 °C in the wavelength of 1.5–25 μm, displaying excellent emissivity and stability under high temperature. As a consequence of lower bandgap and defects formation energy, more oxygen vacancy defects were generated in M4, resulting in better infrared emissivity performance. The results demonstrates that M4 as coating has great potential to be applied in energy-related and thermal protection of hypersonic vehicles.

Harnessing the synergistic effect of CuO@Fe3O4/n-Si for high-efficiency photodiodes

High-performance photodetectors were fabricated using drop-casting method, employing pure CuO, Fe3O4 and CuO@Fe3O4 nanocomposite (NC). These devices aim to achieve enhanced responsivity (R), photosensitivity (Ps), detectivity (D∗), and external quantum efficiency (EQE). The XRD results indicate that the crystallite size of the CuO@Fe3O4 NC was reduced to around 20 nm, compared to 23 nm for pure CuO and 25 nm for pure Fe3O4. In addition, phase purity and functional groups were corroborated by Raman and FTIR analysis, supporting these findings. The bandgap energy of pure CuO and Fe3O4 was estimated to be around 1.25 and 1.22 eV, respectively, while the CuO@Fe3O4 NC exhibited a lower bandgap energy of 1.13 eV due to the interface between CuO and Fe3O4. Notably, the fabricated CuO@Fe₃O₄/n-Si photodiode exhibited excellent rectification properties under illumination, with an ideality factor (n) of 2.87 and a barrier height (ΦB) of 0.83 eV. The device achieved high Ps of 773.4 %, R of 542.6 mA/W, EQE of 208.7 %, and D∗ of 2.91 × 1012 Jones, demonstrating that the CuO@Fe3O4 NC is the most effective material for photodetection in this study.

Assessing the electromagnetic shielding effectiveness of coconut coir composites with varying iron particle concentrations

This study investigates the electromagnetic shielding effectiveness of Coconut Coir-based Porous Carbon (CCPC) composites with varying iron (Fe) particle concentrations, specifically focusing on four different weight ratios of CCPC/Fe-80, CCPC/Fe-60, CCPC/Fe-40, and CCPC/Fe-20. The novelty of this work lies in the use of sustainable coconut coir as a base material, emphasizing its eco-friendly and cost-effective attributes for Electromagnetic interference (EMI) shielding applications. The significance of varying iron particle concentrations is highlighted to optimize electromagnetic shielding effectiveness. Comprehensive analyses were conducted on these composites. X-Ray Diffraction (XRD) analysis confirmed the presence of crystalline Fe particles and amorphous carbon, with crystalline sizes determined via Williamson-Hall (W-H) plot, Scherrer Equation, and Strain Size Plot (SSP) ranging from 17.33 nm to 18.01 nm for the former. Raman spectroscopy revealed distinctive D and G bands, with intensity ratios indicating a slight increase in structural disorder with higher Fe content. UV-Visualization spectroscopy demonstrated distinct absorption peaks, with higher Fe content resulting in more pronounced absorbance and lower band gap energies. Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray Spectroscopy (EDS) analyses provided detailed insights into the material's microstructure and elemental composition, confirming the successful integration of Fe particles within the porous carbon matrix. Vector Network Analyzer (VNA) testing measured the reflection loss (RL), showing values in the range of −26.4 dB to −20.2 dB, for 2 mm thick samples, corresponding to electromagnetic wave attenuation of over 99%. These results underscore the potential of CCPC/Fe composites, particularly in applications requiring effective Electromagnetic (EM) wave attenuation. This research offers a sustainable and cost-effective solution, contributing significantly to the field of materials science by enhancing electromagnetic compatibility in various technological applications.

Application of Reduced Graphene Oxide-Zinc Oxide Nanocomposite in the Removal of Pb(II) and Cd(II) Contaminated Wastewater

Toxic metal wastewater is a challenge for exposed terrestrial and aquatic environments, as well as the recyclability of the water, prompting inputs for the development of promising treatment methods. Consequently, the rGO/ZnONP nanocomposite was synthesized at room temperature for four hours and was tested for the adsorption of cadmium and lead in wastewater. The optimized nanocomposite had the lowest band gap energy (2.69 eV), and functional group interactions were at 516, 1220, 1732, 3009, and 3460 cm−1. The nanocomposite showed good ZnO nanoparticle size distribution and separation on rGO surfaces. The nanocomposite’s D and G band intensities were almost the same, constituting the ZnO presence on rGO from the Raman spectrum. The adsorption equilibrium time for cadmium and lead was reached within 10 and 90 min with efficiencies of ~100%. Sips and Freundlich best fitted the cadmium and lead adsorption data (R2 ~ 1); therefore, the adsorption was a multilayer coverage for lead and a mixture of heterogenous and homogenous coverage for cadmium adsorption. Both adsorptions were best fitted by the pseudo-first-order model, suggesting the multilayer coverage dominance. The adsorbent was reused for three and seven times for cadmium and lead. The nanocomposite showed selectivity towards lead (95%) and cadmium (100%) in the interfering wastewater matrix. Conclusively, the nanocomposite may be embedded within upcoming lab-scale treatment plants, which could lead to further upscaling and it serving as an industrial wastewater treatment material.

Synergistic effects of Fe2O3 supported on dendritic fibrous SBA-15 for superior photocatalytic degradation of methylene blue

Environmental pollution caused by dye effluent has attracted much attention, and thus developing photocatalysts with superior photodegradation performance is an imperative task. A series of Fe supported on dendritic fibrous SBA-15 (Fe/DFSBA-15) catalysts with various Fe contents were prepared using a microemulsion coupled with ultrasonic-assisted impregnation methods. The findings revealed that the structural stability of DFSBA-15 was unaffected by the amount of Fe loaded. As the Fe loading increased, the size of Fe2O3 nanocrystals increased while the catalysts’ surface area decreased. The bandgap energy of the catalyst decreased with increasing Fe loading and became constant after reaching an optimal Fe loading of 10 wt%. The one-factor-at-a-time study revealed that 10Fe/DFSBA-15 degraded 94.72 % of methylene blue (MB) within 180 min at 1.5 g/L catalyst dosage, pH 8, and 10 mg/L of concentration, owing to Si-O-Fe coordination, modest Fe2O3 crystallite size, homogeneous metal distribution, slower recombination rate, and low bandgap energy. The advantageous features of 10Fe/DFSBA-15 resulted in accelerating the photodegradation rate, where 10Fe/DFSBA-15 is found as the optimal catalyst. The addition of Fe particles to the DFSBA-15 largely improved their photocatalytic activity toward MB degradation, making it a potential candidate for removing pollutants from aqueous solutions.

Synthesis, characterization, anticancer activity, molecular docking and DFT calculation of 3-acetylcoumarin thiosemicarbazones and Schiff’s bases

The new thiosemicarbazones (3a-d) of 3-acetylumbelliferone and Schiff’s bases (4a-b) of 3-acetylcoumarin were synthesized, characterized by elemental analysis, UV–Vis, FT-IR, NMR, and ESI-HR MS, and evaluated for their anticancer potency against the human breast cancer (MCF-7) cell line. All the tested compounds exhibited good to moderate anticancer efficacy in a dose-dependent manner. The synthesized compounds exhibited potent preferential inhibition effects against the MCF-7 cell line, with IC50 range of 147.8–505.1 µg/mL. The most potent compound, (E)-N-(1-(7-hydroxy-2-oxo-2H-chromen-3-yl) ethylidine)-2,6-dimethylmorpholine-4-carbothiohydrazide (3c), showed significant cytotoxicity with an IC50 value of 147.8 µg/mL against the tested cell line. It showed a higher proportion of cells in G1 (37.21 %) and S (26.86 %) phases and a lower proportion of cells in G2 phase (26.37 %), with respect to control. Molecular docking of all the synthesized compounds with target proteins VEGFR2 and EGFR demonstrated their significant binding affinity and interactions with key residues compared to the reference drug (erlotinib). DFT-based analysis showed that all the compounds have effective reactivity due to the low band gap energy of HOMO and LUMO relative to the reference drug, erlotinib (4.26 eV). The reactivity-related quantum mechanical parameters η, S, χ, μ, and ω indicated that these compounds have a high efficacy towards the target enzymes VEGFR2 and EGFR. All of the synthesized compounds had drug-like action, according to ADMET predictions.

High-performance Bi2O3 nanoflakes for advanced energy storage applications

In this work, Bi2O3 nanoflakes (NFs) were synthesized using the co-precipitation method. To understand the crystal structure-surface morphology and their functional properties such as optical band-gap energy, specific capacitance and magnetic properties are examined by various analytical techniques including X-ray Diffraction (XRD), Field Emission Scanning Electron Microscopy (FE-SEM), High-Resolution Transmission Electron Microscopy (HRTEM), Vibrating Sample Magnetometer (VSM), UV–Visible Diffuse Reflectance Spectroscopy (UV-DRS), X-ray Photoelectron Spectroscopy (XPS), Raman Spectroscopy, and Cyclic Voltammetry (CV). FE-SEM confirmed the formation of the nanoflakes, while HRTEM verified their monoclinic crystal structure and provided details on the orientation of the lattice planes. XRD result showed distinctive peaks corresponding to the α-phase, indicating a crystallite size of 8.21 nm. Raman and XPS results are also demonstrated formation of the Bi2O3 NFs with their signature bands. VSM analysis revealed the presence of both magnetic and nonmagnetic phases in the Bi2O3 NFs. Optical studies indicated a promising band gap of 1.9 eV, suggesting potential for optoelectronic applications. Surface analysis confirmed the composition of Bi+ and O2− in the NFs. Additionally, electrochemical assessments through CV demonstrated a significant specific capacitance of 537 F/g at 20 mV/s. Nyquist plot analysis suggested an equivalent circuit R(CR)(CR), indicating an optimal fit. Furthermore, we have made the systematic comparison of optical band gap energy of Bi2O3 with reported different nanostructures such as Peanut, needles, rod and flakes and found that the present study nanoflakes offer much lower band energy compared to above mentioned all other morphologies. Due to the obtained lower energy band gap and specific capacitance performance of the Bi2O3 NFs, it is strongly suggested to the advanced energy storage applications.

Ni-Pt nanoparticle decorated, C, N-doped titania microparticles with low band gap energy as an efficient catalyst for hydrogen generation from hydrous hydrazine

The recent studies demonstrated superior catalytic activity and higher selectivity of carbon doped defect-rich catalysts in hydrogen production via dehydrogenation of hydrazine hydrate (HH). The synthesis of a new defect-rich catalyst capable of providing high hydrogen evolution rate in either catalytic or photocatalytic dehydrogenation of HH was aimed. For this purpose, “polymerization-induced colloid aggregation” (PICA) was proposed for the synthesis of carbon and nitrogen doped-mesoporous, gravel-like TiO2 microparticles (m-CN/TiO2 MPs) with a reduced band-gap energy of 2.3 eV. The Ti(III) content and oxygen vacancy concentration of pristine m-CN/TiO2 MPs were 6.06 % and 22.57 %, respectively. A defect-rich catalyst with high Ti(III) content (40.25 %) and high oxygen vacancy concentration (39.14 %) was obtained by the decoration of m-CN/TiO2 MPs with nickel-platinum nanoparticles (Ni-Pt NPs) via NaBH4 reduction (Ni-Pt/m-CN/TiO2 MPs) for the first time. The charge unbalance stimulated by Ti(III) species supported the formation of oxygen vacancies on m-CN/TiO2 MPs. The unique approach based on the synthesis of a C, N doped-mesoporous TiO2 based support by PICA and the deposition of Ni-Pt NPs by NaBH4 reduction in the presence of m-CN/TiO2 MPs allowed to obtain a heterogeneous catalyst with a low band energy of 1.7 eV for hydrogen production. The turnover frequency (TOF) values up to 1140.7 h−1 were achieved with 100 % H2 selectivity using the catalyst containing an active metallic site composed of 78.3 % mol Ni and 21.7 % mol Pt on m-CN/TiO2 MPs in the catalytic dehydrogenations performed at 323 K. The TOF values up to 530 h−1 with 100 % H2 selectivity were obtained by using Ni-Pt/m-CN/TiO2 MPs as a photocatalyst in the visible light driven photocatalytic dehydrogenation of HH at room temperature.

Impact of using dual back surface field layers of different materials on GaAs single junction solar cell performance

This research aspires to investigate the impact of employing dual BSF layers on the performance of single junction GaAs solar cells using the Silvaco TCAD simulator. A layer of GaAs, InGaP, and InAlGaP has been implemented as a second BSF layer on top of the original BSF layer of the n-InGaP/n-GaAs/p-GaAs/p-InAlGaP structured solar cell. The results show that using GaAs as a second BSF layer has increased the carrier’s recombination and degraded the cell efficiency due to its lower energy bandgap, which creates a potential well that lessens the number of photogenerated carriers flowing through the conduction band toward electrodes. However, adding InGaP and InAlGaP as a second BSF layer decreases the recombination rate and generates a broad electric field region leading to extra photogenerated carriers drifting through the cell, which increases the efficiency from 29.42% to 29.81% for the case of using InGaP and 30.33% for the case of using InAlGaP. Furthermore, increasing the thickness and doping of the second BSF layer reduces the carriers’ recombination at the boundaries of this layer, which implies efficiency enhancement.

Shielding against erosion: Exploring the effectiveness of pre-erosion surface corrosion inhibitors

This study investigates the corrosion inhibition effect and adsorption process of two imidazoline corrosion inhibitors, HEIE and TDEI, on pre-eroded X65 steel surfaces. Analysis of weight loss and electrochemical measurements suggests that the irregular structure of pre-eroded surfaces may impede the uniform adsorption of corrosion inhibitors, resulting in reduced effectiveness pre-erosion. Particularly, at a 30° angle of pre-erosion, corrosion inhibition efficacy is observed to be at its lowest. The corrosion inhibition rates of HEIE and TDEI on X65 steel surfaces are found to be 11.9 % lower under pre-eroded conditions at a 30° angle compared to non-eroded surfaces at the same angle. Molecular dynamics (MD) simulations support these findings, indicating that TDEI exhibits lower energy bandgap values and more negative adsorption energies (Eads) compared to HEIE, aligning with experimental results. Moreover, TDEI demonstrates a smaller diffusion coefficient for corrosive agents than HEIE, suggesting stronger adsorption efficiency and a more pronounced protective effect. Study of the corrosion inhibition effect on pre-eroded surfaces provides new ideas and methods for improving protective measures.

Enhanced sunlight-driven photocatalysis of non-metal doped zinc oxide via wet impregnation for the removal of organic compounds

Zinc oxide (ZnO), a commonly used photocatalyst, suffers from the rapid recombination of photogenerated charge carriers, and the inability to harvest visible light. Therefore, the green synthesized ZnO from Garcinia mangostana pericarp is modified via non-metal (X) doping of N, P, S, Br, and B with a mass content of 5 % to tackle the aforementioned. The obtained materials were characterized through various modern characterization techniques. The results reveal that amongst the X-doped sample, ZnO-B demonstrates the highest photocatalytic performance. The characteristics of ZnO include good crystallinity as well as a low band gap energy of 2.094 eV, revealing an enhanced visible light absorption activity of the sample. The photoactivity of surveyed ZnO-B was investigated through the degradation of malachite green, methyl orange, and tetracycline, achieving a removal rate of 96.29, 86.59, and 90.32 %, respectively. Simultaneously, the antibacterial properties of the ZnO-X were evaluated for Staphylococcus aureus under sunlight illumination. Moreover, the photocatalysis mechanism of the studied materials was elucidated through the band structure, toxicity, and total organic carbon removal of the post-catalysis solution. The selected boron-doped zinc oxide catalyst also showed excellent reusability after 10 cycles of photocatalysis, retaining ∼ 80 % of its original activity. The obtained results reveal the potential application of non-metal-doped zinc oxide in environmental remediation and water disinfection.

Tuning the Structural and Electronic Properties of Zn-Cr LDH/GCN Heterostructure for Enhanced Photodegradation of Estrone in UV and Visible Light.

Estrone is an emerging contaminant found in waters and soils all over the world. Conventional water treatment methods are not suitable for estrone removal due to its nonpolarity and low bioavailability. Heterogeneous photocatalysis is a promising approach; however, pristine semiconductors need optimization for efficient estrone photodegradation. Herein, we compared Zn-Cr LDH/GCN heterostructures obtained by three different synthesis methods. The influence of the GCN content in the heterostructure on photoactivity was also tested. The morphology, structure, and electronic properties of the materials were analyzed and compared. The photocatalytic kinetic tests were conducted with 1 ppm of estrone in both UV and visible light, separately. The HLDH-G50 material, obtained by the hydrothermal route and containing 50 wt % of GCN exhibited the highest photocatalytic efficiency. After 1 h, 99.5% of the estrone was degraded in visible light. In UV light, the pollutant concentration was below the detection limit after 0.5 h. The superior effectiveness was caused by numerous factors such as high homogeneity of the formed heterostructure, lower band gap energy of hydrothermal LDH, and increased photocurrent. These characteristics led to prolonged lifetimes of charge carriers, a wider light absorption range, and uniformity of the material for predictable performance. This study highlights the importance of a proper heterostructure engineering strategy for acquiring highly effective photocatalysts designed for water purification. In particular, this work provides innovative insight into comparing different synthesis methods and their influence on materials' properties.