Boron Carbon Research Articles

Understanding adsorption ability of CNT (6, 6-6) and BNNT (6, 6-7) nanotubes for a novel hybrid pyrazole-indole drug, InPy-7a

The quest for enhanced drug delivery efficacy across diverse physiological conditions has spurred the exploration of various nanomaterials, including carbon-based materials like carbon nanotubes (CNTs) and boron nitride nanotubes (BNNTs). These materials offer high surface areas conducive to increased drug loading, with considerations such as surface charge, size, shape, and biocompatibility being paramount. The hybrid drug, synthesized by combining indole derivatives with a pyrazole moiety, has shown promising cytotoxicity against various cancer cell lines. In this context, we have explored the adsorption ability of CNT (6, 6-6) and BNNT (6, 6-7) nanotubes for a novel hybrid drug, InPy-7a, using density functional theory (DFT) calculations. Our study has aimed to elucidate the adsorption mechanisms and electronic properties of InPy-7a on the surfaces of CNT (6, 6-6) and BNNT (6, 6-7). Through computational tools, we have analyzed the geometry optimization of InPy-7a onto the nanotube surfaces, evaluating molecular interactions, quantum descriptors, frontier molecular orbitals (FMO), natural bond orbitals (NBO), nuclear magnetic resonance (NMR), and molecular electrostatic potential (MEP). Our results have illuminated the underlying mechanisms by revealing unique interactions and electronic changes during complexation. Based on predicted electronic aspects and molecular interactions, the CNT@InPy-7a-S5 complex system showed greater chemical reactivity, adsorption, and stability than BNNT@InPy-7a-S6. These findings open up opportunities for additional experimental validations and offer insightful information about the possible uses of drug delivery systems based on nanotubes.

Luminescent boron carbon oxynitride phosphors: a cost-efficient strategy to boost solar cell spectral responsiveness

The incorporation of a Luminescent down-shifting (LDS) layer has emerged as a compelling approach for augmenting the light absorption sensitivity and power conversion efficiency of solar cells, particularly in the short-wavelength light spectrum. In this investigation, we propose the utilization of low-cost, environmentally benign Boron carbon oxynitride (BCNO) phosphors as a viable material for the enhancement of solar radiation absorption in the ultraviolet-blue range. We synthesized BCNO phosphors through a combustion method and conducted a comprehensive analysis of the structural and spectral attributes concerning the impact of temperature. The synthesized boron carbon oxynitride phosphors exhibit a hexagonal boron nitride structure, with an irregular shape and an average particle size of 2447.9 nm. The analysis of photoluminescence spectra reveals that BCNO phosphors effectively capture photons within the 300–500 nm wavelength range and subsequently re-emit them at longer wavelengths. This phenomenon aligns with the overarching goal of optimizing solar cell performance, as it is in the longer wavelength range that solar cells exhibit enhanced efficiency. These findings support the promising potential of BCNO phosphors as a compelling choice for deployment as an LDS layer material on the periphery of solar cells. By facilitating increased photon absorption in the short-wavelength region, BCNO phosphors have the capacity to significantly enhance device performance.

Boron carbon nitride as efficient oxygen reduction reaction support

The electrocatalytic oxygen reduction reaction (ORR) is crucial for energy conversion systems such as fuel cells and metal-air batteries. Boron carbon nitrogen (BCN) is a novel functional material with a high specific surface area, excellent corrosion resistance, and outstanding electrochemical stability. These properties make BCN an effective ORR catalyst and a promising support for metal catalysts. This study leveraged the strong interaction between BCN and metals to anchor platinum nanoparticles (Pt NPs) onto the BCN surface (Pt/BCN), significantly enhancing the durability of traditional Pt/C catalysts in ORR. The half-wave potential of Pt/BCN is 0.927 V, higher than Pt/XC-72R (0.857 V) and commercial Pt/C (0.879 V). Notably, after 10,000 durability test cycles, the mass activity (MA) of Pt/XC-72R and commercial Pt/C decreased by 67 % and 75 %, respectively. Even after 50,000 cycles, Pt/BCN exhibited only a 54 % decrease in MA. Experimental data and density functional theory calculations confirmed increased electron transfer from Pt to the BCN support, indicating a strong electronic metal-support interaction (EMSI) between Pt and BCN. This strong EMSI effectively anchored the Pt NPs, preventing migration and aggregation during the ORR process. Consequently, our research introduces a novel electrocatalyst support material with significant potential for ORR and broader applications.

Enhancement of thermal conductivity and abrasion resistance of woody carbon fiber composites via boride catalysis

In order to investigate the effect of boron element on liquefied wood carbon fibers and their composites, boric acid and boron carbide were utilized to modify liquefied wood resin through copolymerization and blending methods respectively. Then boric acid-modified liquefied wood carbon fiber (BA-WCF) and boron carbide-modified liquefied wood carbon fiber (BC-WCF) were produced via melt spinning, curing, and carbonization treatments. As expected, this modification approach effectively prevents the formation of skin-core structures and accelerates the evolution of a graphite microcrystalline structure, thereby enhancing the mechanical properties of the carbon fibers. Particularly, the tensile strength and elongation at break of BA-WCF increased to 331.57 MPa and 7.57 % respectively, representing increments of 117 % and 86 % compared to the conventional fibers. Furthermore, the as-fabricated carbon fiber/resin composites (CFPRs), composing of BA-WCF or BC-WCF as fillers and liquefied wood resin as matrix, exhibited excellent interlaminar shear strength, outstanding abrasion resistance, and well thermal conductivity, as well as electrical performance, significantly outperforming the conventional carbon fiber/phenolic resin composites. The friction rate of BC-WP/BA-WCF/CF was 2.37 %, while its thermal conductivity could reach 1.927 W/(m·K). These promising attributes lay the groundwork for the development of high-performance carbon fiber-based materials, fostering their widespread utilization across various industries.

Smart polymer composites with vertically oriented boron nitride and carbon fiber for heat management: Magneto-thermal responsiveness

Emerging structural materials for aerospace deformable structures, soft robotics, and advanced smart electronic devices necessitate reversible, lockable, and reprogrammable shape transformation capabilities. A challenge in this realm is heat accumulation in high-power density devices, which limited impedes broader applications of these materials. This study introduces magneto-thermal coupling response and efficient heat dissipation to structural composite, facilitating reversible and reprogrammable material deformation. Our composites prepared using bi-directional freeze casting strategy demonstrated excellent thermal management capabilities. When the composites were applied to the chip heat dissipation, the chip temperature was significantly reduced by 36.3 °C from 112.2 °C. Furthermore, the integration of a flexible boron nitride nanosheets (BNNS)/carbon fibers (CFs) network with magnetic Fe3O4 particles and phase-change material enables effective magneto-thermal response. This magnetically controlled thermal deformation behavior of composites provides a promising avenue for the development of multimodal morphing structures for soft robotics and aerospace applications.

High-pressure high-temperature synthesis and characterization of B10C

The boron-rich boron carbide materials have been traditionally synthesized by adding boron powder to B4C material and subjecting it to hot pressing sintering for materials composition containing 8.8–20 at. % carbon in boron (composition range of B10.4C to B4C). Our study explores a synthesis route for B10C starting from high-purity boron and carbon and direct conversion under high pressure and high temperature (HPHT) conditions of 2000 °C and 6–8 GPa. Synthesis was verified via x-ray diffraction analysis, showing the conversion of the high-purity boron and carbon powder mixture into a hexagonal B10C structure (R-3m space group) with lattice parameters of a = b = 5.6115 Å and c = 12.197 Å. The concentration of boron was measured through x-ray photoelectron spectroscopy, confirming the B10C ratio. The measured nanoindentation mean hardness of B10C was 40 GPa. Raman spectroscopy of the HPHT synthesized sample shows characteristic vibrational breathing modes of boron icosahedron and an additional intense band at a vibrational frequency of 380 cm−1. This Raman band, which appears notably weaker in earlier studies and B4C samples, is assigned to the linear chain of B–B–B and attributed to the maximal incorporation of boron within the hexagonal structure.

Photoinduced dynamics during electronic transfer from narrow to wide bandgap layers in one-dimensional heterostructured materials

Electron transfer is a fundamental energy conversion process widely present in synthetic, industrial, and natural systems. Understanding the electron transfer process is important to exploit the uniqueness of the low-dimensional van der Waals (vdW) heterostructures because interlayer electron transfer produces the function of this class of material. Here, we show the occurrence of an electron transfer process in one-dimensional layer-stacking of carbon nanotubes (CNTs) and boron nitride nanotubes (BNNTs). This observation makes use of femtosecond broadband optical spectroscopy, ultrafast time-resolved electron diffraction, and first-principles theoretical calculations. These results reveal that near-ultraviolet photoexcitation induces an electron transfer from the conduction bands of CNT to BNNT layers via electronic decay channels. This physical process subsequently generates radial phonons in the one-dimensional vdW heterostructure material. The gathered insights unveil the fundamentals physics of interfacial interactions in low dimensional vdW heterostructures and their photoinduced dynamics, pushing their limits for photoactive multifunctional applications.

Influence of amine surface treatments of carbon nanotube and boron nitride hybrid fillers on the thermal and mechanical properties of flexible amine‐based acrylate composites via 3D vat photopolymerization

AbstractOwing to the rapid advancement in electronic devices, thermal interface materials have been introduced to solve the thermal dissipation and electrical insulation problems in electronic parts and packaging materials. In this study, flexible thermally conductive acrylate‐based composites were fabricated via 3D vat photopolymerization. The effects of amine functional groups on the thermal and mechanical properties of acrylate polymers were explored. Surface‐treatment agents, namely, (3‐aminopropyl)triethoxysilane (APTES) and octadecylamine (ODA), were selected to enhance the poor dispersibility of fillers in the resin matrix caused by aggregation. The APTES‐treated carbon nanotube (CNT)–boron nitride (BN) hybrid composite exhibited the highest thermal conductivity of 0.990 W m−1 K−1, which was remarkably 482.35% higher than that of the matrix owing to the addition of 30 wt% BN, 0.5 wt% CNTs, and APTES treatment. The ODA‐treated CNT composite, which contained only 0.5 wt% CNTs, exhibited a thermal conductivity of 0.540 W m−1 K−1, which was 217.65% higher than that of the matrix. The electrical insulation properties of the composites were characterized, and the composites exhibited low electrical conductivity as electrical insulation materials. The advantages of the 3D‐printed flexible thermally conductive acrylate polymers usher in a new era of using polymer composites to address heat dissipation problems in complex structures.

An efficient multi-path to active peroxymonosulfate by carbon and sulfur co-doped boron nitride for antibiotics degradation: An emerging electron-transfer pathway at activated-S sites

Metal-free catalysis is considered promising for the green degradation of aqueous organic pollutants. Herein, a novel non-metallic heteroatom-doped boron nitride (h-BN) catalyst with carbon and sulfur doping, named SC-BN, was successfully prepared. Under optimal conditions, the SC-BN/peroxymonosulfate (PMS) system can achieve an impressive 99.4 % levofloxacin removal within 90 min (kobs = 0.0531 min−1). In-depth physicochemical characterizations have identified B-N-C and C-S-C as co-active functional groups. The electrochemical characterization and density functional theory (DFT) calculations further verified the enhanced electron transfer pathway (ETP) at S sites, which was activated by an emerging electric field. h-BN as a highly electroactive material also plays a positive role in regulation. Besides, the electrical energy per order (EE/O = 6.65 kWh/m3) and toxicity evaluation results exhibited the practical potential for eco-friendly detoxification and degradation of various refractory contaminants. In summary, this study puts forth a novel metal-free PMS activation process with an efficient multi-path mechanism and provides a theoretical foundation for future research.

Evolution of hydrogen isotopes retention behavior of in-situ boronization films in EAST

Effective management of hydrogen isotopes retention in plasma-facing materials (PFMs) is crucial, particularly when utilizing tritium (T) as fuel, for the success of burning plasma operations. Boronization, a widely employed technique for controlling fuel recycling and mitigating impurity influx from plasma-surface interactions into the core of burning plasma, significantly influences hydrogen isotopes retention in PFMs. In this study, boronization films were generated by ion cyclotron range of frequency (ICRF) discharge assisted boronization with C2B10H12 as boron source on tungsten substrates at Experimental Advanced Superconducting Tokamak (EAST) which employing ITER-like water-cooled W monoblock PFMs and components (PFCs), followed by in-situ glow discharge (GD) cleaning for 2 h and 20 shots (180 s) edge-plasma exposure. Employing the Material and Plasma Evaluation System (MAPES), representative samples were analyzed after each process. The resultant carbon–boron films, dense and continuous, exhibited thickness up to 120 nm and were identified as amorphous in structure. It was observed that the D2-GD cleaning resulted in a significant isotopic exchange effect, effectively reducing the hydrogen (H) retention in the carbon–boron films. This hydrogen isotope replacement efficiency was found to be influenced by the thickness of the films. Notably, after boundary plasma exposure, samples with thicker films demonstrated an enhanced capacity to capture deuterium (D), adsorbing 10 times more D than bare tungsten (W). Our findings offer transformative insights for T recycling analysis and the plasma operation of devices like International Thermonuclear Experimental Reactor (ITER), highlighting the impact of boronization and subsequent treatments on hydrogen isotope retention behavior in PFMs.

Design of new boron-doped carbon dots for nano-level assay of nebivolol in human plasma and commercial products; Application to greenness assessments

Recently, nanomaterials have attracted a lot of attention due to their potential as effective fluorescent nano-sensor probes. They were distinguishing substitutes for other luminescent techniques, such as fluorescent dyes and luminous derivatization, because of their affordability, environmental friendliness, and special photocatalytic properties. In the suggested work, a straightforward method was used to create boron and nitrogen carbon dots (B@CDs) with a good quantum yield value of 31.15 % utilizing boric acid and di-sodium EDTA. For the purpose of characterizing QDs, a variety of instruments were employed, such as transmission electron microscopy, fluorescence spectroscopy, X-ray FTIR, and UV–VIS spectroscopy. Nebivolol (NEB) is a cardiovascular medication used globally to treat congestive heart failure and hypertension, is in the meantime. For this reason, a brand-new, environmentally friendly analytical technique was created to determine the amount of human plasma, uniformity test, and commercial nebivolol (NEB) tablets. After gradually adding NEB, the response of B@CQDs was enhanced at 438 nm (excitation at 371 nm). The calibration graph ranged between 20 and 500 ng mL−1 with a quantification limit (LOQ) of 2.50 ng mL−1 and a detection limit (LOD) of 0.82 ng mL−1.

Molecular simulation of adsorption and separation of N2 and CF4 on carbon and boron nitride nanostructures

Grand canonical ensemble Monte Carlo (GCMC) molecular simulations were performed to study CF4 adsorption on carbon nanotubes, boron nitride (BN) nanotubes, carbon nanoscrolls, and BN nanoscrolls. At 298 K and 2 MPa, (15,15) BN nanotubes exhibited 4.57 mmol/g and 98 v/v in excess weight and volume adsorption for CF4, respectively, which is a 50 % and 44 % increase over (15,15) carbon nanotubes at 3.04 mmol/g and 68 v/v. BN nanoscrolls with a 1.3 nm interlayer spacing showed even higher adsorption at 13.63 mmol/g and 145 v/v, a 33 % increase over carbon nanoscrolls with a 10.23 mmol/g and 108 v/v. Utilizing Ideal Adsorbed Solution Theory (IAST), we predicted that (14,14) BN nanotubes would have a CF4 adsorption capacity of 4.27 mmol/g and a selectivity of 6.4 at 298 K and 4 MPa for equimolar CF4/N2 mixtures, surpassing (14,14) carbon nanotubes at 3.01 mmol/g and 4.5. BN nanoscrolls with a 1.2 nm spacing showed a 13.35 mmol/g and 8.1 adsorption capacity and selectivity for CF4, respectively, which is superior to carbon nanoscrolls at 9.33 mmol/g and 5.1. These results outperform other porous materials, indicating that BN nanoscrolls are highly promising for CF4 capture.

Multilayer boron doped Si@SiOx/C from Si-Ca alloy for lithium-ion battery anodes

SiOx has been considered as a promising anode for next-generation lithium-ion batteries. However, the poor rate performance caused by the low electrical conductivity is a bottleneck of its application. Approaches involving carbon composites, boron doping and two-dimensional structure have been pursued to improve the electrical conductivity. In this work, through the combination of these strategies, a multilayer boron doped Si@SiOx/C composites are fabricated by a chemical exfoliation of CaSi2 with B2O3 and CaCO3. The production exhibits favorable properties for lithium-ion battery anodes, such as proper specific surface area, complete multilayer structure, boron doped and carbon composite structure. The as-obtained B-Si@SiOx/C-700 delivers a capacity of 659.3 mAh g−1 after 500 cycles at 1 A g−1. Especially, at 4 A g−1, the capacity retention of the B-Si@SiOx/C-700 anode is still 40.9 % of its average discharge capacity at 0.2 A g−1. The capacitive contribution to the total Li+ storage capacity for the B-Si@SiOx/C-700 electrode is 83.6 % at 1.0 mV s−1. This work presents a simple and efficient strategy to construct a multilayer doped structure to improve electrochemical properties.

A DFT study on boron carbon nitride and in-plane graphene-boron nitride nanosheets for O3 and F2 gas sensing

In the industry era, nanostructures-based gas sensors have been more striking for environmental monitoring. In this research, we investigated the properties and the adsorption ability of boron carbon nitride (BCN) and in-plane graphene-boron nitride (G_BN) nanosheets for toxic (F2 and O3) gas molecules. The geometrical, electronic, and optical properties of the selected structures are analyzed using the density functional theory. The negative value of cohesive energy signifies that both BCN and G_BN are energetically stable. Both structures show strong attractive energy for the selected gas molecules with recovery times of 0.266 ps−5.482 ns. A significant change decrease in the band gap of the adsorbents occurred after gas adsorption. All the adsorbents show a high absorption coefficient of over 104 cm−1 in the visible wavelength range. A slight variation in the optical properties is observed after gas adsorption. Both the adsorbents demonstrate significant sensitivity toward F2 and O3 gases.

A review of EDLC and pseudocapacitance with synergistic integration of carbon-based and metal oxide materials for enhanced electrochemical energy storage

This paper provides a comprehensive analysis of the recent advancements in electrochemical double-layer capacitors (EDLCs) and pseudocapacitance, emphasizing the pivotal role of carbon-based materials, metal oxides, conducting polymers, and composites in augmenting the energy storage landscape. Through a systematic collection of electrochemical performance metrics, we elucidate the inherent advantages of these materials, such as superior electrical conductivity, enhanced surface area, and chemical robustness, which are instrumental in the development of next-generation supercapacitors. We discuss the integration of novel materials like reduced graphene oxide/hexagonal boron nitride composites, carbon onions, and various metal oxides that contribute to a significant increase in energy density and cycling stability. This work also highlights innovative fabrication techniques and synthesis methodologies that have resulted in electrodes with remarkable performance enhancements. Furthermore, the exploration of synergistic effects between different materials has led to hybrid structures that exhibit improved capacitive properties and operational efficiency.

Crafting in situ boron and selenium-doped carbon nitride nanosheets for turbocharged benzaldehyde to benzyl alcohol under solar spectrum

This research focuses on the fabrication and application of in situ boron and selenium-doped carbon nitride nanosheets as effective photocatalysts using sun spectrum irradiation to convert turbocharged benzaldehyde to benzyl alcohol. To optimize the doping method for enhanced activity, the effect of changing dopant concentrations on catalytic efficiency was thoroughly investigated. Furthermore, a through analysis of the reactive species involved in the conversion process helped to clarify the photocatalytic process. Based on charge transfer and low recombination, the results indicate that boron and selenium dopants work synergistically to improve catalytic efficiency. This research helps to improve the development of new photocatalytic materials for the sustainable and ecologically friendly transformation of organic molecules under solar spectrum irradiation. The regeneration of NADH using B,Se-CN photocatalyst demonstrates very good efficiency. It also demonstrated the high conversion efficiency of benzaldehyde to benzyl alcohol. This study emphasizes the possible use of B,Se-CN composite in the area of photoinduced conversion-based organic transformation. The knowledge gathered from this research opens up new avenues for the development and enhancement of effective photocatalysts that might be used in a range of solar-powered organic transformation processes.

Impact of carbon content on the phase structure and mechanical properties of TiBCN coatings via direct current magnetron sputtering

Abstract In this study, unbalanced direct current magnetron sputtering was employed to develop TiBCN coatings on Si (100) wafers. The carbon (C) concentration was varied to manipulate the phase structure and mechanical properties of the coatings. The coatings were analyzed using Raman spectroscopy, scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and nanoindentation. The results revealed that the TiBCN-2 coating, with a C concentration of 4.4 at.%, exhibited optimal hardness and elastic modulus values of 33 and 291 GPa, respectively. On the other hand, as the C content increased from 4.4 to 24.4 at.%, the hardness and elastic modulus values of the coatings decreased to 21 and 225 GPa, respectively, due to the formation of boron nitride and carbon phases within the coating matrix. Therefore, the inclusion of an ideal C concentration can considerably improve the properties of TiBCN coatings, thus rendering the coating a desirable material for cutting tools.

Electronic and Molecular Adsorption Properties of Pt-Doped BC6N: An Ab-Initio Investigation.

In the last two decades, significant efforts have been particularly invested in two-dimensional (2D) hexagonal boron carbon nitride h-BxCyNz because of its unique physical and chemical characteristics. The presence of the carbon atoms lowers the large gap of its cousin structure, boron nitride (BN), making it more suitable for various applications. Here, we use density functional theory to study the structural, electronic, and magnetic properties of Pt-doped BC6N (Pt-BC6N, as well as its adsorption potential of small molecular gases (NO, NO2, CO2, NH3). We consider all distinct locations of the Pt atom in the supercell (B, N, and two C sites). Different adsorption locations are also considered for the pristine and Pt-doped systems. The formation energies of all Pt-doped structures are close to those of the pristine system, reflecting their stability. The pristine BC6N is semiconducting, so doping with Pt at the B and N sites gives a diluted magnetic semiconductor while doping at the C1 and C2 sites results in a smaller gap semiconductor. We find that all doped structures exhibit direct band gaps. The studied molecules are very weakly physisorbed on the pristine structure. Pt doping leads to much stronger interactions, where NO, NO2, and NH3 chemisorb on the doped systems, and CO2 physiorb, illustrating the doped systems' potential for gas purification applications. We also find that the adsorption changes the electronic and magnetic properties of the doped systems, inviting their consideration for spintronics and gas sensing.

A Universal Biomacromolecule-Enabled Assembly Strategy for Constructing Multifunctional Aerogels with 90% Inorganic Mass Loading from Inert Nano-Building Blocks.

Inert inorganic nano-building blocks, such as carbon nanotubes (CNTs) and boron nitride (BN) nanosheets, possess excellent physicochemical properties. However, it remains challenging to build aerogels with these inert nanomaterials unless they are chemically modified or compounded with petrochemical polymers, which affects their intrinsic properties and is usually not environmentally friendly. Here, a universal biomacromolecule-enabled assembly strategy is proposed to construct aerogels with 90 wt% ultrahigh inorganic loading. The super-high inorganic content is beneficial for exploiting the inherent properties of inert nanomaterials in multifunctional applications. Taking chitosan-CNTs aerogel as a proof-of-concept demonstration, it delivers sensitive pressure response as a pressure sensor, an ultrahigh sunlight absorption (94.5%) raising temperature under light (from 25 to 71°C within 1min) for clean-up of crude oil spills, and superior electromagnetic interference shielding performance of up to 68.9dB. This strategy paves the way for the multifunctional application of inert nanomaterials by constructing aerogels with ultrahigh inorganic loading.

Similariton-like Pulse Evolution in an Er-Doped Fiber Laser with Hybrid Mode Locking

An Er-doped all-fiber ultrashort pulse laser with positive total net-cavity group-velocity dispersion is demonstrated based on a hybrid mode-locking mechanism ensured by single-walled carbon–boron–nitrogen nanotubes with coaction of the nonlinear polarization evolution effect. The generation regime with a similariton-like spectrum is obtained. The spectrum width is ~31.5 nm, and the minimal pulse duration is ~294 fs at full width at half maximum. The average output power is ~3.2 mW, corresponding to 0.376 nJ pulse energy and 1.25 kW peak power. The fundamental pulse repetition rate is ~8.5 MHz, with a signal-to-noise ratio of 60 dB. The standard deviation of average output optical power stability, measured for 12 h, is about ~1% RMS, and the maximum level of relative intensity noise (RIN) does not exceed <−120 dBc/Hz in the 30 Hz–1 MHz frequency range. To prove the similariton-like regime generation, we also studied numerically and experimentally the pulse evolution during propagation through a laser resonator and output single-mode fiber with anomalous dispersion.