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Scientific Reports May 2024Burning fossil fuels emits a significant amount of , causing climate change concerns. Capture and Storage (CCS) aims to reduce emissions, with fullerenes showing...
Burning fossil fuels emits a significant amount of , causing climate change concerns. Capture and Storage (CCS) aims to reduce emissions, with fullerenes showing promise as adsorbents. Recent research focuses on modifying fullerenes using an electric field. In light of this, we carried out DFT studies on some B, N, and P doped ( , n = 0, 1, 2, and 3; X = B, N, and P) in the absence and presence of an electric field in the range of 0-0.02 a.u.. The cohesive energy was calculated to ensure their thermodynamic stability showing, that despite having lesser cohesive energies than , they appear in a favorable range. Moreover, the charge distribution for all structures was depicted using the ESP map. Most importantly, we evaluated the adsorption energy, height, and angle, demonstrating the B and N-doped fullerenes had the stronger interaction with , which by far exceeded 's, improving its physisorption to physicochemical adsorption. Although the adsorption energy of P-doped fullerenes was not as satisfactory, in most cases, increasing the electric field led to enhancing adsorption and incorporating chemical attributes to -fullerene interaction. The HOMO-LUMO plots were obtained by which we discovered that unlike the P-doped , the surprising activity of B and N-doped s against originates from a high concentration of the HOMO-LUMO orbitals on B, N and neighboring atoms. In the present article, we attempt to introduce more effective fullerene-based materials for adsorption as well as strategies to enhance their efficiency and revealing adsorption nature over B, N, and P-doped fullerenes and in the end, hope to encourage more experimental research on these materials within growing electric field for capture in the future.
PubMed: 38811697
DOI: 10.1038/s41598-024-62301-x -
Nature Communications May 2024Perovskite solar cells promise to be part of the future portfolio of photovoltaic technologies, but their instability is slow down their commercialization. Major...
Perovskite solar cells promise to be part of the future portfolio of photovoltaic technologies, but their instability is slow down their commercialization. Major stability assessments have been recently achieved but reliable accelerated ageing tests on beyond small-area cells are still poor. Here, we report an industrial encapsulation process based on the lamination of highly viscoelastic semi-solid/highly viscous liquid adhesive atop the perovskite solar cells and modules. Our encapsulant reduces the thermomechanical stresses at the encapsulant/rear electrode interface. The addition of thermally conductive two-dimensional hexagonal boron nitride into the polymeric matrix improves the barrier and thermal management properties of the encapsulant. Without any edge sealant, encapsulated devices withstood multifaceted accelerated ageing tests, retaining >80% of their initial efficiency. Our encapsulation is applicable to the most established cell configurations (direct/inverted, mesoscopic/planar), even with temperature-sensitive materials, and extended to semi-transparent cells for building-integrated photovoltaics and Internet of Things systems.
PubMed: 38811579
DOI: 10.1038/s41467-024-48877-y -
Nature Communications May 2024The semiconductors industry has put its eyes on two-dimensional (2D) materials produced by chemical vapour deposition (CVD) because they can be grown at the wafer level...
The semiconductors industry has put its eyes on two-dimensional (2D) materials produced by chemical vapour deposition (CVD) because they can be grown at the wafer level with small thickness fluctuations, which is necessary to build electronic devices and circuits. However, CVD-grown 2D materials can contain significant amounts of lattice distortions, which degrades the performance at the device level and increases device-to-device variability. Here we statistically analyse the quality of commercially available CVD-grown hexagonal boron nitride (h-BN) from the most popular suppliers. h-BN is of strategic importance because it is one of the few insulating 2D materials, and can be used as anti-scattering substrate and gate dielectric. We find that the leakage current and electrical homogeneity of all commercially available CVD h-BN samples are significantly worse than those of mechanically exfoliated h-BN of similar thickness. Moreover, in most cases the properties of the CVD h-BN samples analysed don't match the technical specifications given by the suppliers, and the sample-to-sample variability is unsuitable for the reproducible fabrication of capacitors, transistors or memristors in different batches. In the short term, suppliers should try to provide accurate sample specifications matching the properties of the commercialized materials, and researchers should keep such inaccuracies in mind; and in the middle term suppliers should try to reduce the density of defects to enable the fabrication of high-performance devices with high reliability and reproducibility.
PubMed: 38806491
DOI: 10.1038/s41467-024-48485-w -
Polymers May 2024This research focuses on modifying discarded feathers by grafting glycidyl methacrylate (GMA) onto their surface through thiolation, followed by an epoxy ring-opening...
This research focuses on modifying discarded feathers by grafting glycidyl methacrylate (GMA) onto their surface through thiolation, followed by an epoxy ring-opening reaction with N-methyl-D-glucamine (NMDG) to synthesize feather-based boron adsorbents. Optimization of the adsorbent preparation conditions was achieved through single-factor experiments, varying temperature, time, GMA concentration, and initiator dosage. The synthesized adsorbent (F-g-GMA-NMDG) underwent characterization using Fourier transform infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), scanning electron microscopy (SEM), and X-ray diffraction (XRD). The adsorption behavior of the adsorbent was studied, and its boron adsorption capacity at different temperatures was determined through static adsorption kinetic curves. Analysis of adsorption isotherms, kinetics, and thermodynamics was conducted. Results indicate that the boron adsorption process by F-g-GMA-NMDG follows a pseudo-second-order model. The adsorption process is endothermic, with higher temperatures promoting adsorption efficiency. Gibbs free energy (Δ) confirms the spontaneity of the adsorption process. Enhanced adsorption efficacy was observed under neutral and acidic pH conditions. After four cycles, the adsorbent maintained its adsorption efficiency, demonstrating its stability and potential for reuse. This study provides novel insights into both the treatment of discarded feathers and the development of boron adsorbents.
PubMed: 38794557
DOI: 10.3390/polym16101365 -
Sensors (Basel, Switzerland) May 2024Thermoelectric gas sensor (THGS) devices with catalysts and SiGe thin films of different boron doping levels of 10, 10, and 10 cm were fabricated, and their transport...
Thermoelectric gas sensor (THGS) devices with catalysts and SiGe thin films of different boron doping levels of 10, 10, and 10 cm were fabricated, and their transport properties are investigated. SiGe films were deposited on SiN/SiO multilayers on Si substrates using low-pressure chemical vapor deposition (LPCVD) and thermally annealed at 1050 °C. The Seebeck coefficients of the SiGe films were increased after thermal annealing, ranging from 191 to 275 μV/K at temperatures of 74 to 468 °C in air, and reaching the highest power factor of 6.78 × 10 W/mK at 468 °C. The thermal conductivity of the SiGe films varied from 2.4 to 3.0 W/mK at 25 °C. The THGS detection performance was tested for the H gas in air from 0.01 to 1.0%, and compared to the thermoelectric properties of the SiGe films. The high-temperature annealing treatment process was successful in enhancing the thermoelectric performance of both the SiGe films and sensor devices, achieving the best THGS performance with the sensor device fabricated from the annealed SiGe film with 10 cm boron-doped SiGe.
PubMed: 38793910
DOI: 10.3390/s24103058 -
Materials (Basel, Switzerland) May 2024In recent years, tubular nanostructures have been related to immense advances in various fields of science and technology. Considerable research efforts have been...
In recent years, tubular nanostructures have been related to immense advances in various fields of science and technology. Considerable research efforts have been centred on the theoretical prediction and manufacturing of non-carbon nanotubes (NTs), which meet modern requirements for the development of novel devices and systems. In this context, diatomic inorganic nanotubes formed by atoms of elements from the 13th group of the periodic table (B, Al, Ga, In, Tl) and nitrogen (N) have received much research attention. In this study, the elastic properties of single-walled boron nitride, aluminium nitride, gallium nitride, indium nitride, and thallium nitride nanotubes were assessed numerically using the nanoscale continuum modelling approach (also called molecular structural mechanics). The elastic properties (rigidities, surface Young's and shear moduli, and Poisson's ratio) of nitride nanotubes are discussed with respect to the bond length of the corresponding diatomic hexagonal lattice. The results obtained contribute to a better understanding of the mechanical response of nitride compound-based nanotubes, covering a broad range, from the well-studied boron nitride NTs to the hypothetical thallium nitride NTs.
PubMed: 38793510
DOI: 10.3390/ma17102444 -
Materials (Basel, Switzerland) May 2024In this research, we developed boron-rich nanoparticles that can be used for boron neutron capture therapy as potential carriers for boron delivery to cancerous tissues....
In this research, we developed boron-rich nanoparticles that can be used for boron neutron capture therapy as potential carriers for boron delivery to cancerous tissues. Functionalized carbonated boron nitride nanostructures (CBNs) were successfully synthesized in self-propagating combustion waves in mixtures of high-nitrogen explosives and boron compounds. The products' composition, morphology, and structural features were investigated using Fourier transform infrared spectroscopy, powder X-ray diffraction, low-temperature nitrogen sorption analysis, thermogravimetric analysis, high-resolution scanning electron microscopy, and high-resolution transmission electron microscopy. The extreme conditions prevailing in combustion waves favor the formation of nanosized CBN hollow grains with highly disordered structures that are properly functionalized on the surface and inside the particles. Therefore, they are characterized by high porosity and good dispersibility in water, which are necessary for medical applications. During biological tests, a concentration-dependent effect of the obtained boron nitride preparations on the viability of normal and neoplastic cells was demonstrated. Moreover, the assessment of the degree of binding of fluorescently labeled nanoparticles to selected cells confirmed the relationships between the cell types and the concentration of the preparation at different incubation time points.
PubMed: 38793502
DOI: 10.3390/ma17102438 -
Materials (Basel, Switzerland) May 2024The electrocatalytic production of ammonia has garnered considerable interest as a potentially sustainable technology for ammonia synthesis. Recently, non-metallic-doped... (Review)
Review
The electrocatalytic production of ammonia has garnered considerable interest as a potentially sustainable technology for ammonia synthesis. Recently, non-metallic-doped materials have emerged as promising electrochemical catalysts for this purpose. This paper presents a comprehensive review of the latest research on non-metallic-doped materials for electrocatalytic ammonia production. Researchers have engineered a variety of materials, doped with non-metals such as nitrogen (N), boron (B), phosphorus (P), and sulfur (S), into different forms and structures to enhance their electrocatalytic activity and selectivity. A comparison among different non-metallic dopants reveals their distinct effects on the electrocatalytic performance for ammonia production. For instance, N-doping has shown enhanced activity owing to the introduction of nitrogen vacancies (NVs) and improved charge transfer kinetics. B-doping has demonstrated improved selectivity and stability, which is attributed to the formation of active sites and the suppression of competing reactions. P-doping has exhibited increased ammonia generation rates and Faradaic efficiencies, likely due to the modification of the electronic structure and surface properties. S-doping has shown potential for enhancing electrocatalytic performance, although further investigations are needed to elucidate the underlying mechanisms. These comparisons provide valuable insights for researchers to conduct in-depth studies focusing on specific non-metallic dopants, exploring their unique properties, and optimizing their performance for electrocatalytic ammonia production. However, we consider it a priority to provide insight into the recent progress made in non-metal-doped materials and their potential for enabling long-term and efficient electrochemical ammonia production. Additionally, this paper discusses the synthetic procedures used to produce non-metal-doped materials and highlights the advantages and disadvantages of each method. It also provides an in-depth analysis of the electrochemical performance of these materials, including their Faradaic efficiencies, ammonia yield rate, and selectivity. It examines the challenges and prospects of developing non-metallic-doped materials for electrocatalytic ammonia production and suggests future research directions.
PubMed: 38793485
DOI: 10.3390/ma17102419 -
Materials (Basel, Switzerland) May 2024The paper presents the influence of the temperature of the sintering process on the microstructure and selected properties of boron carbide/TiB/SiC composites obtained...
The paper presents the influence of the temperature of the sintering process on the microstructure and selected properties of boron carbide/TiB/SiC composites obtained in situ by spark plasma sintering (SPS). The homogeneous mixture of boron carbide and 5% vol. TiSi micropowders were used as the initial material. Spark plasma sintering was conducted at 1700 °C, 1800 °C, and 1900 °C for 10 min after the initial pressing at 35 MPa. The heating and cooling rate was 200 °C/min. The obtained boron carbide composites were subjected to density measurement, an analysis of the chemical and phase composition, microstructure examination, and dry friction-wear tests in ball-on-disc geometry using WC as a counterpart material. The phase compositions of the produced composites differed from the composition of the initial powder mixture. Instead of titanium silicide, two new phases appeared: TiB and SiC. The complete disappearance of TiSi was accompanied by a decrease in the boron carbide content of the stoichiometry formula BC and an increase in the content of TiB, while the SiC content was almost constant. The relative density of the obtained boron carbide composites, as well as their hardness and resistance to wear, increased with the sintering temperature and TiB content. Unfortunately, the reactions occurring during sintering did not allow us to obtain composites with high density and hardness. The relative density was 76-85.2% of the theoretical one, while the Vickers hardness was in the range of 4-12 GPa. The mechanism wear of boron carbide composites tested in friction contact with WC was abrasive. The volumetric wear rate (Wv) of composites decreased with increasing sintering temperature and TiB content. The average value of coefficient of friction (CoF) was in the range of 0.54-0.61, i.e., it did not differ significantly from the value for BC sinters.
PubMed: 38793446
DOI: 10.3390/ma17102379 -
Materials (Basel, Switzerland) May 2024In pressurized water reactors, LiOH may be concentrated in some areas, leading to the accelerated corrosion of fuel claddings. Injecting boric acid into primary coolants...
In pressurized water reactors, LiOH may be concentrated in some areas, leading to the accelerated corrosion of fuel claddings. Injecting boric acid into primary coolants can mitigate the accelerated corrosion effect of LiOH on Zircaloys, but the effects of boron content on the corrosion behavior of the Zr-Sn-Nb alloy are still unknown. This work focused on the corrosion and hydrogen absorption behavior at 360 °C/18.6 MPa in 100 mg/kg LiOH solutions with 0 mg/kg, 50 mg/kg, and 200 mg/kg boron contents for up to 510 days, aiming to study the effect of boron content on corrosion resistance in LiOH solutions. Corrosion kinetics, microstructures of oxide films, hydrogen absorption concentrations and hydride morphology were obtained after the test. The results show that injecting boron in LiOH solutions can significantly reduce the corrosion weight gain, hydrogen concentration, and hydrogen length of Zr-Sn-Nb alloys, that is, improving corrosion resistance effectively. During the oxidation of the Zr-Sn-Nb alloy, B and Li incorporate in oxide films. The incorporation of Li may lead to the generation of oxygen vacancies, which can carry oxygen from the solutions to O/M interface, accelerating corrosion. The incorporation of B in oxide films will slow down the oxidation of Zr-Sn-Nb alloys by reducing the oxygen vacancies caused by Li aggregation.
PubMed: 38793439
DOI: 10.3390/ma17102373