Search Results (502)

The electrooxidation (EO) of three important environmental contaminants, anticorrosive 1H-benzotriazole (BTA), plasticizer dibutyl phthalate (DBP), and non-ionic surfactant Triton X-100 (tert-octylphenoxy[poly(ethoxy)] ethanol, t-OPPE), was studied as a possible means to improve their elimination from wastewaters, which are an important emission source. EO was performed in a batch reactor with a boron-doped diamond (BDD) anode and a stainless steel cathode. Different supporting electrolytes were tested: NaCl, H₂SO₄, and Na₂SO₄. Results were analysed from the point of their efficacy in terms of degradation rate, kinetics, energy consumption, and transformation products. The highest degradation rate, shortest half-life, and lowest energy consumption was observed in the electrolyte H₂SO₄, followed by Na₂SO₄ with only slightly less favourable characteristics. In both cases, degradation was probably due to the formation of persulphate or sulphate radicals. Transformation products (TPs) were studied mainly in the sulphate media and several oxidation products were identified with all three contaminants, while some evidence of progressive degradation, e.g., ring-opening products, was observed only with t-OPPE. The possible reasons for the lack of further degradation in BTA and DBP are too short of an EO treatment time and perhaps a lack of detection due to unsuitable analytical methods for more polar TPs. Results demonstrate that BDD-based EO is a robust method for the efficient removal of structurally diverse organic contaminants, making it a promising candidate for advanced water treatment technologies. Full article

Histamine sensing that uses enzymatic reactions is the most common form of testing due to its selectivity for histamine. However, enzymes are difficult to store for long periods of time, and the inactivation of enzymes decreases the reliability of the results. In this study, we developed a novel, quick, and easily operated histamine sensing technique that takes advantage of the histamine redox reaction and does not require enzyme-based processes. Because the redox potential of histamine is relatively high, we used a boron-doped diamond (BDD) electrode that has a wide potential window. At pH 8.4, which is between the acidity constant of histamine and the isoelectric point of histidine, it was found that an oxygen-terminated BDD surface successfully detected histamine, both selectively and exclusively. Measurements of the sensor’s responses to extracts from fish meat samples that contained histamine at various concentrations revealed that the sensor responds linearly to the histamine concentration, thus allowing it to be used as a calibration curve. The sensor was used to measure histamine in another fish meat sample treated as an unknown sample, and the response was fitted to the calibration curve to perform an inverse estimation. When estimated in this way, the histamine concentration matched the certified value within the range of error. A more detailed examination showed that the sensor response was little affected by the histidine concentration in the sample. The detection limit was 20.9 ppm, and the linear response range was 0–150 ppm. This confirms that this sensing method can be used to measure standard histamine concentrations. Full article

This study evaluates the efficiency of sub-stoichiometric Ti₄O₇ titanium oxide anodes for the electrochemical degradation of glyphosate, a persistent herbicide classified as a probable carcinogen by the World Health Organization. After optimizing the process operating parameters (pH and current density), the mineralization efficiency and fate of degradation by-products of the treated solution were determined using a total organic carbon (TOC) analyzer and HPLC/MS, respectively. The results showed that at pH = 3, glyphosate degradation and mineralization are enhanced by the increased generation of hydroxyl radicals (^●OH) at the anode surface. A current density of 14 ${\mathrm{mA} \mathrm{cm}}^{-2}$ enables complete glyphosate removal with 77.8% mineralization. Compared with boron-doped diamond (BDD), ${\mathrm{Ti}}_4{\mathrm{O}}_7$ shows close performance for treatment of a concentrated glyphosate solution (0.41 mM), obtained after nanofiltration of a synthetic ionic solution (0.1 mM glyphosate), carried out using an NF-270 membrane at a conversion rate (Y) of 80%. At 10${ \mathrm{mA} \mathrm{cm}}^{-2}$ for 8 h, ${\mathrm{Ti}}_4{\mathrm{O}}_7$ achieved 81.3% mineralization with an energy consumption of 6.09 ${\mathrm{kWh} \mathrm{g}}^{-1}$ TOC, compared with 90.5% for BDD at 5.48 ${\mathrm{kWh} \mathrm{g}}^{-1}$ TOC. Despite a slight yield gap, ${\mathrm{Ti}}_4{\mathrm{O}}_7$ demonstrates notable efficiency under demanding conditions, suggesting its potential as a cost-effective alternative to BDD for glyphosate electro-oxidation. Full article

Silica fume-based geopolymer composite coatings, an approach to using metallurgical solid waste, exert flame retardancy with ecological, halogen-free, and environmentally friendly advantages, but their fire resistance needs to be improved further. Herein, a silica fume-based geopolymer composite flame-retardant coating was designed by doping boric acid (BA), zinc phytate (ZnPA), and melamine (MEL). The results of a cone calorimeter demonstrated that appropriate ZnPA and BA significantly enhanced its flame retardancy, evidenced by the peak heat release rate (p-HRR) decreasing from 268.78 to 118.72 kW·m⁻², the fire performance index (FPI) increasing from 0.59 to 2.83 s·m²·kW⁻¹, and the flame retardancy index increasing from 1.00 to 8.48, respectively. Meanwhile, the in situ-formed boron phosphate (BPO₄) facilitated the residual resilience of the fire-barrier layer. Furthermore, the pyrolysis kinetics indicated that the three-level chemical reactions governed the pyrolysis of the coatings. BPO₄ made the pyrolysis E_α climb from 94.28 (P5) to 127.08 (B3) kJ·mol⁻¹ with temperatures of 731–940 °C, corresponding to improved thermal stability. Consequently, this study explored the synergistic flame-retardant mechanism of silica fume-based geopolymer coatings doped with ZnPA, BA, and MEL, providing an efficient strategy for the high-value-added recycling utilization of silica fume. Full article

This study explores the enhanced photocatalytic performance of boron-doped zinc oxide (ZnO) nanoparticles synthesized via a scalable mechanochemical route. Utilizing X-ray diffraction (XRD) and scanning electron microscopy with energy-dispersive spectroscopy (SEM-EDS), the structural and morphological properties of these nanoparticles were assessed. Specifically, nanoparticles with 1 wt%, 2.5 wt%, and 5 wt% boron doping were analyzed after calcination at temperatures of 500 °C, 600 °C, and 700 °C. The obtained results indicate that 1 wt% B-ZnO nanoparticles calcined at 700 °C show superior photocatalytic efficiency of 99.94% methyl orange degradation under UVA light—a significant improvement over undoped ZnO. Furthermore, the study introduces a predictive model using the artificial neural network (ANN) technique, developed in Python, which effectively forecasts photocatalytic performance based on experimental conditions with R² = 0.9810. This could further enhance wastewater treatment processes, such as heterogeneous photocatalysis, through ANN-guided optimization. Full article

Substitutional doping of fullerenes represents a significant category of heterofullerenes. Due to the vast number of isomers, confirming the ground state structure poses considerable challenges. In this study, we generated isomers of C_60−nB_n and C_60−nN_n with n ranging from 2 to 12. To avoid overlooking the ground state structures, we applied specific filtering rules: no adjacent nitrogen (N) or boron (B) atoms are allowed, and substitutions in meta-positions within pentagons are prohibited when the substitution number n exceeds nine. Approximately 15,000 isomers across various values of n within the range of 2 to 12 for B and N substituted fullerenes were selected and optimized using density functional theory (DFT) calculations, forming our dataset. We developed a Graph Neural Network (GNN) that aggregates both topological connections and its dual graph with ring types as input information to predict their binding energies. The GNN achieved high accuracy, reaching a root mean square error (RMSE) of 1.713 meV. Furthermore, it operates efficiently; indeed, it can predict over six thousand isomers per second on an eight-core PC. Several predicted stable structures were further optimized by DFT to confirm their ground state configurations. The energy cutoffs of each composition were determined through statistical simulations to ensure that the selected ground state structures possess high confidence levels. Notably, new lower-energy structures have been discovered for boron-substituted fullerenes with substitution number ranging from seven to twelve and nitride-substituted fullerenes with substitution number ranging from seven to eleven. Full article

Titanium dioxide (TiO₂) is a wide-bandgap semiconductor material with broad application potential, known for its excellent photocatalytic performance, high chemical stability, low cost, and non-toxicity. These properties make it highly attractive for applications in photovoltaic energy, environmental remediation, and optoelectronic devices. For instance, TiO₂ is widely used as a photocatalyst for hydrogen production via water splitting and for degrading organic pollutants, thanks to its efficient photo-generated electron–hole separation. Additionally, TiO₂ exhibits remarkable performance in dye-sensitized solar cells and photodetectors, providing critical support for advancements in green energy and photoelectric conversion technologies. Boron-doped diamond (BDD) is renowned for its exceptional electrical conductivity, high hardness, wide electrochemical window, and outstanding chemical inertness. These unique characteristics enable its extensive use in fields such as electrochemical analysis, electrocatalysis, sensors, and biomedicine. For example, BDD electrodes exhibit high sensitivity and stability in detecting trace chemicals and pollutants, while also demonstrating excellent performance in electrocatalytic water splitting and industrial wastewater treatment. Its chemical stability and biocompatibility make it an ideal material for biosensors and implantable devices. Research indicates that the combination of TiO₂ nanostructures and BDD into heterostructures can exhibit unexpected optical and electrical performance and transport behavior, opening up new possibilities for photoluminescence and rectifier diode devices. However, applications based on this heterostructure still face challenges, particularly in terms of photodetector, photoelectric emitter, optical modulator, and optical fiber devices under high-temperature conditions. This article explores the potential and prospects of their combined heterostructures in the field of optoelectronic devices such as photodetector, light emitting diode (LED), memory, field effect transistor (FET) and sensing. TiO₂/BDD heterojunction can enhance photoresponsivity and extend the spectral detection range which enables stability in high-temperature and harsh environments due to BDD’s thermal conductivity. This article proposes future research directions and prospects to facilitate the development of TiO₂ nanostructured materials and BDD-based heterostructures, providing a foundation for enhancing photoresponsivity and extending the spectral detection range enables stability in high-temperature and high-frequency optoelectronic devices field. Further research and exploration of optoelectronic devices based on TiO₂-BDD heterostructures hold significant importance, offering new breakthroughs and innovations for the future development of optoelectronic technology. Full article

The catalytic activity of monolayer and bilayer boron-doped edge black phosphorene nanoribbons (BPNRs) as electrocatalysts for the nitrogen reduction reaction (NRR) was investigated using first-principles calculations based on density functional theory (DFT). The results indicate that boron incorporation facilitates effective N₂ adsorption at specific BPNR edges, thereby achieving superior NRR electrocatalytic performance. Through NRR screening criteria, six candidate edges (B@ZZ₃-1, B@ZZ₄-1, B@AC₀-1, B@ZZ₀^AA-1, B@ZZ₁^AB-3, and B@ZZ₄^AA-3) were identified. Electronic property analysis revealed that boron doping significantly reduces the bandgap of BPNRs and enhances catalytic activity by promoting electron accumulation at boron sites. Free energy pathway calculations demonstrated that B@AC₀-1, B@ZZ₀^AA-1, and B@ZZ₁^AB-3 exhibit overpotentials of 0.19 V, 0.28 V, and 0.15 V, respectively, during the NRR process, outperforming other phosphorus-based catalysts in activity. Full article

The anodic stability of tungsten carbide (WC) and iron oxide with a spinel structure (Fe₃O₄) were compared against similar data for nanostructured, boron-doped diamond (BDD), and the benchmark Vulcan XC72 carbon, in view of their eventual application as alternative supports for the anion exchange membrane electrolyzer anode. To this end, metal oxide composites were prepared by the in situ autocombustion (ISAC) method, and the anodic behavior of materials (composites as well as supports alone) was investigated in 1 M NaOH electrolyte by the rotating ring–disc electrode method, which enables the separation oxygen evolution reaction and materials’ degradation currents. Among all supports, BDD has proven to be the most stable, while Vulcan XC72 is the least stable under the anodic polarization, with Fe₃O₄ and WC demonstrating intermediate behavior. The Co₃O₄-BDD, -Fe₃O₄, -WC, and -Vulcan composites prepared by the ISAC method were then tested as catalysts of the oxygen evolution reaction. The Co₃O₄-BDD and Co₃O₄-Fe₃O₄ composites appear to be competitive electrocatalysts for the OER in alkaline medium, showing activity comparable to the literature and higher support stability towards oxidation, either in cyclic voltammetry or chronoamperometry stability tests. On the contrary, WC- and Vulcan-based composites are prone to degradation. Full article

This study synthesized boron-doped diamond (BDD) thin films using hot-filament chemical vapor deposition at different carbon-to-hydrogen (C/H) ratios in the range of 0.3–0.9%. The C/H ratio influence, a key parameter controlling the balance between diamond growth and hydrogen-assisted etching, was systematically investigated while maintaining other deposition parameters constant. Microstructural and electrochemical analysis revealed that increasing the C/H ratio from 0.3% to 0.7% led to a reduction in sp2-bonded carbon and enhanced the crystallinity of the diamond films. The improved conductivity under these conditions can be attributed to effective substitutional boron doping. Notably, the film deposited at a C/H ratio of 0.7% exhibited the highest electrical conductivity and the widest electrochemical potential window (2.88 V), thereby indicating excellent electrochemical stability. By contrast, at a C/H ratio of 0.9%, the excessively supplied carbon degraded the film quality and electrical and electrochemical performance, which was owing to the increased formation of sp² carbon. In addition, this led to an elevated background current and a narrowed potential window. These results reveal that precise control of the C/H ratio is critical for optimizing the BDD electrode performance. Therefore, a C/H ratio of 0.7% provides the most favorable conditions for applications in advanced oxidation processes. Full article

Although lithium-ion batteries are considered an ideal postulant for renewable energy harvesting, storage and applications, these batteries show promising performance; however, at the same time, these harvesting devices suffer from some major limitations, including scarce lithium resources, high cost, toxicity and safety concerns. Potassium ion batteries (PIBs) can be proven a favorable alternative to metal ion batteries because of their widespread potassium reserves, low costs and enhanced protection against sparks. In this study, DFT simulations were employed using the B3LYP/6-311⁺⁺g(d p) method to explore the application of graphene and its doped variants (N,B,P-graphene) as potential anode materials for PIBs. Various key parameters such as adsorption energy, Gibbs free energy, molecular orbital energies, non-covalent interactions, cell voltage, electron density distribution and density of states were computed as a means to evaluate the suitability of materials for PIB applications. Among the four structures, nitrogen- and phosphorus-doped graphene exhibited negative Gibbs free energy values of −0.020056 and −0.021117 hartree, indicating the thermodynamic favorability of charge transfer processes. Doping graphene with nitrogen and phosphorus decreases the HOMO-LUMO gap energy, facilitating efficient ion storage and charge transport. The doping of nitrogen and phosphorus increases the cell voltage from −1.05 V to 0.54 V and 0.57 V, respectively, while boron doping decreases the cell voltage. The cell voltage produced by graphene and its doped variants in potassium ion batteries has the following order: P-graphene (0.57 V) > N-graphene (0.54 V) > graphene (−1.05 V) > B-graphene (−1.54 V). This study illustrates how nitrogen- and phosphorus-doped graphene can be used as a propitious anode electrode for PIBs. Full article

In this study, a boron-doped diamond (BDD) sensor was used to study the electroanalytical behavior of emerging contaminants (ECs), such as caffeine, paracetamol and methyl orange. BDD shows strong resolving power for the superimposed voltammetric response of ECs in well-resolved peaks with increased peak current. Differential pulse voltammetry, which is an electroanalytical technique, was compared with two reference techniques including absorption spectrophotometry in the UV-vis region and high-performance liquid chromatography (HPLC) in the detection and quantification of ECs. The results obtained were satisfactory, as the complete removal of ECs was achieved in all applied processes. The detection limits were 0.69 mg L⁻¹, 0.84 mg L⁻¹ and 0.46 mg L⁻¹ for CAF, PAR and MO, respectively. The comparison of electroanalysis results with those obtained by UV-vis and HPLC established and confirmed the potential applicability of the technique for determining CAF, PAR and MO analytes in synthetic effluents and environmental water samples (tap water, groundwater and lagoon water). The electrochemical approach can therefore be highlighted for its low consumption of reagents, ease of operation, time of analysis and excellent precision and accuracy, because these are characteristics that enable the use of this technique as another means of determining analytes in effluents. Full article

The CO₂ capture from flue gas using biomass-derived porous carbons presents an environmentally friendly and sustainable strategy for mitigating carbon emissions. However, the conventional fabrication of porous carbons often relies on highly corrosive activating agents like KOH and ZnCl₂, posing environmental and safety concerns. To address this challenge, in the present work sodium metaborate tetrahydrate (NaBO₂·4H₂O) has been utilized as an alternative, eco-friendly activating agent for the first time. Moreover, a water chestnut shell (WCS) is used as a sustainable precursor for boron-doped porous carbons with varied microporosity and boron concentration. It was found out that pyrolysis temperature significantly determines the textural features, elemental composition, and CO₂ adsorption capacity. With a narrow micropore volume of 0.27 cm³/g and a boron concentration of 0.79 at.% the representative adsorbent presents the maximum CO₂ adsorption (2.51 mmol/g at 25 °C, 1 bar) and a CO₂/N₂ selectivity of 18 in a 10:90 (v/v) ratio. Last but not least, the as-prepared B-doped carbon adsorbent possesses a remarkable cyclic stability over five cycles, fast kinetics (95% equilibrium in 6.5 min), a modest isosteric heat of adsorption (22–39 kJ/mol), and a dynamic capacity of 0.80 mmol/g under simulated flue gas conditions. This study serves as a valuable reference for the fabrication of B-doped carbons using an environmentally benign activating agent for CO₂ adsorption application. Full article

4H-silicon carbide (4H-SiC) is a cornerstone for next-generation optoelectronic and power devices owing to its unparalleled thermal, electrical, and optical properties. However, its chemical inertness and low dopant diffusivity for most dopants have historically impeded effective doping. This study unveils a transformative laser-assisted boron doping technique for n-type 4H-SiC, employing a pulsed Nd:YAG laser (λ = 1064 nm) with a liquid-phase boron precursor. By leveraging a heat-transfer model to optimize laser process parameters, we achieved dopant incorporation while preserving the crystalline integrity of the substrate. A novel optical characterization framework was developed to probe laser-induced alterations in the optical constants—refraction index ($\mathrm{n}$) and attenuation index ($\mathrm{k}$)—across the MIDIR spectrum (λ = 3–5 µm). The optical properties pre- and post-laser doping were measured using Fourier-transform infrared spectrometry, and the corresponding complex refraction indices were extracted by solving a coupled system of nonlinear equations derived from single- and multi-layer absorption models. These models accounted for the angular dependence in the incident beam, enabling a more accurate determination of $\mathrm{n}$ and $\mathrm{k}$ values than conventional normal-incidence methods. Our findings indicate the formation of a boron-acceptor energy level at 0.29 eV above the 4H-SiC valence band, which corresponds to λ = 4.3 µm. This impurity level modulated the optical response of 4H-SiC, revealing a reduction in the refraction index from 2.857 (as-received) to 2.485 (doped) at λ = 4.3 µm. Structural characterization using Raman spectroscopy confirmed the retention of crystalline integrity post-doping, while secondary ion mass spectrometry exhibited a peak boron concentration of 1.29 × 10¹⁹ cm⁻³ and a junction depth of 450 nm. The laser-fabricated p–n junction diode demonstrated a reverse-breakdown voltage of 1668 V. These results validate the efficacy of laser doping in enabling MIDIR tunability through optical modulation and functional device fabrication in 4H-SiC. The absorption models and doping methodology together offer a comprehensive platform for paving the way for transformative advances in optoelectronics and infrared materials engineering. Full article

The tunnel oxide passivated contact (TOPCon) solar cell utilizes an ultra-thin tunnel oxide layer in its passivation layer structure. The performance difference between TOPCon and passivated emitter and rear cell (PERC) solar cells is obvious due to differences in their structure and operational characteristics. Compared with PERC, TOPCon involves additional processes such as boron diffusion, tunnel oxide deposition, polysilicon doping, and cleaning, while eliminating the need for laser grooving. PERC production lines can be converted to TOPCon production lines which reduces equipment investment costs. Therefore, it is beneficial to replace PERC products in the future. On two different manufacturing technologies for TOPCon and PERC solar modules, we conducted electroluminescence (EL) tests to analyze power degradation in the solar modules. Full article