Boron Nitride Nanostructures Research Articles

Mechanism insights and experimental feasibility of using boron nitride nanocones for rapid adsorption and degradation of SF6 decomposition compounds

Gas-insulated switchgear (GIS) employs sulfur hexafluoride (SF6) as an insulating medium to shield electrical gadget. However, SF6 can decompose under sure situations, generating dangerous sulfur-based totally compounds which include SO2, SOF2, and SO2F2. These byproducts pose enormous dangers to both protection and environmental integrity. Efficiently adsorbing and disposing of those compounds is critical for ensuring operational reliability and reducing environmental dangers. This study investigates the adsorption and degradation mechanisms of SF₆ decomposition compounds (SO₂, SOF₂, and SO₂F₂) on boron nitride nanocones (BNNCs) using density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. Our comprehensive analysis covers five distinct systems, exploring individual and combined adsorption scenarios. The findings reveal that the apex of BNNCs plays a crucial role in the adsorption process, showing high efficiency in adsorbing SO₂ (adsorption energy − 1.22 eV) and facilitating the catalytic breakdown of SOF₂ (adsorption energy − 1.57 eV). The positively charged potential at the nanocone’s apex significantly influences the dissociation and subsequent adsorption of fluorine atoms, with an energy barrier for F dissociation at the apex (1.8 kcal/mol) much lower than at the sidewall (5.3 kcal/mol). In gas mixtures, SO₂ preferentially binds to the apex region of BNNCs, with a bond length of approximately 1.38 Å. BNNCs demonstrate superior adsorption capabilities for SO₂ and SOF₂ compared to other boron nitride nanostructures, with adsorption energies up to 89% higher. The electron transfer analysis reveals that BNNC complexes act as potent electron donors, particularly in the case of BNNC@3SO₂F₂. Additionally, BNNCs show significant potential as sensors for detecting SO₂F₂, with a rapid recovery time of 4.67 ps and a notable decrease in the Fermi level energy to -4.97 eV upon adsorption. The study also provides insights into the angular distribution and charge density difference profiles, offering a detailed understanding of the adsorption mechanisms. These findings have important implications for improving the safety and efficiency of gas-insulated switchgear (GIS) and contribute to the development of more effective environmental protection solutions in electrical power systems.

Efficacy of Green and Chemically Synthesized Nano Boron Nitride on Sunflower Germination

ABSTRACTThis study explores the eco‐friendly synthesis of nanoparticles using natural sources, specifically employing Cassia fistula leaf extract for the production of boron nitride nanoparticles. Characterization of the synthesized nanoparticles was performed using Raman spectroscopy and UV‐visible spectroscopy to identify functional groups. Ab initio studies were conducted to investigate the electronic properties of the boron nitride nanostructures. The structural analysis through powder x‐ray diffraction confirmed a hexagonal configuration of the nanoparticles. Scanning electron microscopy and transmission electron microscopy revealed particle sizes below 100 nm. Laboratory experiments demonstrated that sunflower seeds treated with 1500 ppm of green‐synthesized nano boron nitride achieved the highest germination rate of 98.2%, surpassing other concentrations and chemically synthesized nanoparticles, which reached 93.9% at 2000 ppm. The control treatment yielded a germination rate of 76.2%. The eco‐friendly synthesized nanoparticles exhibited superior efficacy compared to both chemically synthesized nanoparticles and conventional fertilizers.

Synthesis and Modification of Boron Nitride nanotubes using ion implantation

In this work, Chemical Vapour Deposition (CVD) has been used to synthesize boron nitride (BN) nanostructures, particularly nanotubes, and selectively introduce defects into the lattice of the synthesized BN nanostructures through ion implantation. Scanning electron microscopy (SEM) images show clear evidence of BN nanostructures and BN nanotubes (BNNTs), with the latter appearing as long, thin structures with diameters ranging from ⁓30–80 nm. Raman analysis show an E2g mode of vibration assigned to hexagonal BN (h-BN) at 1366 cm−1 after ion implantation, with increased intensity. Grazing incidence X-ray diffraction (GIXRD) spectra revealed a prominent peak between 54 and 56°, corresponding to the (004) h-BN reflection, which was used to determine the average lattice parameter c⁓0.662 nm representing the stacking direction of the BN layers. The majority of the samples had broad peaks, indicative of a nanocrystalline material. The only exception was the sample grown at 1200 °C, which was found to have a Scherrer crystallite size >100 nm. In contrast, the rest of the samples had an average size of 3.5 nm. Notable observations in this study include a significant rise in the size of the Raman derived crystallite domains in the nanostructures synthesized at 1100 and 1200 °C after ion implantation with boron ions at fluence 5 × 1014 ions/cm2.

H-BN layered material: A new frontier in radiation dosimetry

This study explores the potential of hexagonal boron nitride (h-BN) nanostructures for dosimetry of diverse ionizing radiation. We focus on the crucial thermoluminescence (TL) properties of h-BN, including glow curve, dose-response, reproducibility, sensitivity, and fading, within the conventional framework of TL dosimetry. The h-BN powder samples were exposed to different ionizing radiations, including 60Co gamma-rays with a mean energy of 1.25 MeV, electrons (6 MeV), and photons (6 MV), at levels of dose familiar in radiotherapy ranging from 2 Gy to 15 Gy. The h-BN's effective atomic number of 6.25, similar to human tissue, opens up exciting possibilities for applications in medical imaging and dosimetry. Notably, h-BN demonstrates a linear response within the dose range of interest, showcasing excellent sensitivity, particularly at low doses and low photon energies. Additionally, h-BN samples exhibit remarkable reproducibility, with a standard deviation of less than 2.4%, albeit accompanied by significant fading. Regarding the trapping parameters underpinning the manifestation of the glow curves of the irradiated samples, use was made of the peak shape method with different models to estimate the order of kinetics (b), activation energy (E), and frequency factor (s) or escape probability and trap lifetime (τ). The data suggest that the TL glow peaks of the h-BN obey general-order kinetics. These findings underscore the transformative potential of h-BN layered material in advancing radiation dosimetry, particularly in medical physics fields. The inherent characteristics of h-BN, coupled with its effective atomic number, excellent linearity over a wide range of radiation doses especially for electron irradiation and better reproducibility, positioned it as a suitable tool for precise and reliable dose measurement in medical imaging and therapy, heralding a new frontier in radiation dosimetry.

1D and 2D Boron Nitride Nano Structures: A Critical Analysis for Emerging Applications in the Field of Nanocomposites.

Boron nitride (BN) with its 1D and 2D nano derivatives have gained immense popularity in both the field of research and applications. These nano derivatives have proved to be one of the most promising fillers which can be incorporated in polymers to form nanocomposites with excellent properties. These materials have been around for 25 years whereas significant research has been done in this field for only the past decade. There are many interesting properties which are imparted to the nanocomposites wherein thermal stability, large energy band gap, resistance to oxidation, excellent thermal conductivity, chemical inertness, and exceptional mechanical properties are just a few worthy of mention. Hexagonal boron nitride (h-BN) was selected as the parent material by most researchers reviewed in this paper through which 2D derivative Boron nitride nanosheets (BNNS) and 1D derivative Boron nitride nanotubes (BNNTs) are synthesized. This review will focus on the in-depth properties of h-BN and further will concisely focus on BNNS and BNNTs for their various properties. A detailed discussion of the addition of BNNS and BNNTs into polymers to form nanocomposites, their synthesis, properties, and applications is followed by a summary determining the most suitable synthesizing processes and the materials, keeping in mind the current challenges.

Nanocomposite based on hydroxyapatite and boron nitride nanostructures containing collagen and tannic acid ameliorates the mechanical strengthening and tumor therapy

The increase in life expectancy has led to a concerning decline in the body's functional capacity, particularly in bone health, where decreased resistance and increased fracture susceptibility pose significant challenges in orthopedics. While traditional bone grafting methods have drawbacks, synthetic materials, particularly hydroxyapatite (HA), offer promising alternatives due to their biocompatibility and osteoconductive properties. However, HA's mechanical limitations necessitate reinforcement, with boron nitride nanostructures emerging as a particularly effective option, enhancing fracture resistance and combining HA with collagen, further mimicking natural bone composition, offering several benefits. Moreover, crosslinking agents like tannic acid (TA) improve collagen's stability and introduce therapeutic benefits. Therefore, the present work aimed to synthesize an innovative nanocomposite formed by hydroxyapatite, boron nitride nanostructures, collagen, and tannic acid. The nanocomposites obtained were characterized using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), thermogravimetry (TGA), elemental analysis of carbon, hydrogen, and nitrogen (CHN), and scanning electron microscopy (SEM). Mechanical tests of Vickers hardness, nanoindentation, tensile, and DMA demonstrated an increase in the mechanical resistance of the nanocomposites, thus corroborating their promising character. A controlled drug release test showed that the system could be used for antibiotic (ciprofloxacin) delivery, further expanding its function. Biological cell viability assays reported that the system is not toxic to healthy cells and is harmful to tumor cells, thus demonstrating the antitumor nature of TA. Therefore, integrating HA, BN nanostructures, collagen, and TA into a multifunctional nanocomposite, a novel approach in orthopedic biomaterial design is offered as a promising solution to address various bone-related challenges.

Combustion Synthesis of Functionalized Carbonated Boron Nitride Nanoparticles and Their Potential Application in Boron Neutron Capture Therapy

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.

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.

Theoretical study of adsorption of sodium, lithium, magnesium and calcium chloride and sulfate salts by pure and Sc-doped B12N12 nanocages and pure boron nitride nanosheet

High concentrations of water-soluble chloride and sulfate salts may cause adverse effects to humans and plants. Boron nitride (BN) nanostructures seem able to remove these water-soluble salts. In addition, Li+, Mg2+, Ca2+, and Na2+ interactions with BN nanostructures have received much attention in fabricating high-performance metal-ion batteries. Accordingly, this study investigated the adsorption of chloride and sulfate salts of Li, Mg, Ca, and Na on pristine and scandium (Sc)-doped B12N12 nanocages and pure BN nanosheet through DFT calculations. Optimizing the structures at the B3LYP/6-31 g (d, p) and M062X/6-311 g (d, p) computational levels indicated very exothermic chemisorption of chloride and sulfate salts on the pure and Sc-doped B12N12 nanocages. The B12N12-LiCl and Sc@B11N12-LiCl complexes showed the highest negative adsorption energies of −26.33 and −57.30 kcal/mol among the chloride salts. The B12N12-MgSO4 and Sc@B12N12-MgSO4 complexes showed the highest adsorption energies of −69.27 and −102.70 kcal/mol among the sulfate salts. Studying the effect of the adsorption process on the electronic properties of the B12N12 nanocage showed a reduction in the energy gap upon the adsorption of all salts on the pure B12N12 nanocage with the lowest energy gap of 3.98 eV for B12N12-MgSO4. The adsorption energies of the individual salts and their complexes on the B12N12 nanosheet at the B3LYP/6-311 g (d, p) level imply the occurrence of physisorption. A significant reduction was observed in the energy gap by adsorbing the salts on the BN nanosheet. Adsorbing CaSO4 and MgSO4 on the BN nanosheet caused the largest variation of 1.71 and 1.56 eV in the energy gap, respectively. The promising results of our study highlight the potential application of BN nanostructures in the removal of various soluble salts and the fabrication of metal-ion batteries.

Expression of Concern: Molecular dynamics method for targeting α-synuclein aggregation induced Parkinson's disease using boron nitride nanostructures

Expression of Concern: Molecular dynamics method for targeting α-synuclein aggregation induced Parkinson's disease using boron nitride nanostructures

Boron-nitride nanostructures for the detection of harmful gases (CO, CO2, H2S, N2O, and SO2)

Boron-nitride (BN) structures are considered materials with several applications, including sensing platforms. Through density functional theory calculations based on the PBE-D3/6-311G(d,p) level of theory, we propose the boron-nitride nanosheet, armchair nanotube (5,5), and fullerene as possible sensors for the harmful gases CO, CO2, H2S, N2O, and SO2. According to our results, the systems exhibit adsorption energies of −0.10 eV to −1.26 eV, and remarkable electronic parameters such as chemical potential, energy gap, and HOMO and LUMO energies, ideal for serving as chemical sensors of such pollutant gases. The nanostructures can be selective to sense a particular gas, mainly CO, N2O, and SO2. Additionally, we note a dramatic change in the electrical conductivity up to 2.14 eV, and low recovery time from 15 μs to 6.2 s. Finally, the BNNS-SO2, BNNT-N2O, BNNT-SO2, and BNF-CO are the more promissory systems to be used as chemical sensors of SO2, N2O, and CO.

Emergence of enhanced photocatalytic response in GO-hBN nanocomposites with tuned non-linear optical and surface electronic properties

The hexagonal Boron Nitride (hBN) nanostructures with tuned physicochemical properties find huge applications in optoelectronic devices. Herein, we have synthesized nanocomposite of hBN with graphene oxide (GO) in various ratios to acquire composition-dependent variation in their structural, surface electronic, linear, and non-linear optical properties. The insertion of GO in hBN nanosheets has modified their strain landscape, the electronic charge transfers from GO to hBN, increased the working time of free charge carriers, and suppressed electron-hole recombination, thus modifying its work function (WF). GO-hBN nanocomposites observed to have reduced bandgap where creation of defect induced mid-gap states lead to enhancement in non-linear absorption of two photons. Herein, we have established a linear relationship between Urbach energy (Eu), a measure of disorders and non-linear absorption coefficient (αNL). Additionally, we have observed that the tuned bandgap of the nanocomposites has significantly enhanced their performance as high-performance photocatalysts for the degradation of methyl orange, compared to bare hBN or GO. As a result, we discovered that Eu, αNL, WF and photodegradation activity of GO-hBN nanocomposites exhibit analogous variations in response to changes in the content of GO. Thus, by strategically prioritizing the modification of a single parameter while considering the potential effects on other relevant properties for application purpose, GO-hBN can effectively harness large spectrum areas for catalytic and optoelectronic applications.

Synergistic applications of nanostructured boron nitride in photocatalysis and targeted drug delivery

Synergistic applications of nanostructured boron nitride in photocatalysis and targeted drug delivery

Uncovering the interactions and potentials of magnesium and boron nitride nanostructures for magnesium-ion batteries

In present research paper, relationships between a magnesium atom and a magnesium ion (Mg2+) were examined with four different nanostructures: a boron nitride nanotube and a boron nitride nanocone. Our goal was to determine cell voltage (V) values for Mg-ion batteries (MIBs). We conducted calculations employing ωB97XD level of theory and 6-31G(d) basis set to analyze total energy, optimize the geometry, and examine the frontier molecular orbitals. The DFT calculations provided clarification regarding the energy adsorption changes (Ead) between the Mg2+ ion and nanostructures, indicating that the order of Ead is BN tube > BN cone. However, the nanocone exhibits the highest Vcell value, and alterations in Vcell for Mg-ion batteries follow order of BN cone > BN tube. Present research provides theoretical insights into the potential of magnesium as an anode material in batteries, highlighting its favorable Vcell.

Electrical properties of PVC:BN nanocomposite as interfacial layer in metal-semiconductor structure

In this study, a comprehensive examination is assumed to investigate the influence of interfacial layers composed of polyvinyl chloride (PVC) and polyvinyl chloride-boron nitride (PVC: BN) on the electrical characteristics of the Au/n-Si structure. Two distinct structures, namely Au/PVC/n-Si (MPS1) and Au/PVC: BN/n-Si (MPS2), are fabricated for this purpose. The provided boron nitride (BN) nanostructures are analyzed using X-ray diffraction (XRD) patterns to determine their average crystalline size and surface morphology. Following the structural analysis, current-voltage (I–V) measurements are conducted over an extensive voltage range (± 3 V). Subsequently, the fundamental electrical properties of the developed Schottky structures are determined using various methods and compared. Experimental results indicate that the PVC: BN nanocomposite leads to an increase in the potential barrier height (BH), shunt resistance (Rsh), and rectifying rate (RR = IF/IR), while simultaneously decreasing the ideality factor (n), series resistance (Rs), and surface states density (Nss). It was discovered that the MS structure’s RR was 7 times lower than that of the MPS2 structure. Moreover, the energy-dependent Nss density is also derived using n(V) and ΦB0(V) functions. Based on the ln(IR)−VR0.5 profile at the reverse bias region, the Schottky-emission (SE) type conduction mechanism is effective for MS structures, whereas Poole-Frenkel-emission (PFE) is effective for MPS structures.

Progress in Electronic, Energy, Biomedical and Environmental Applications of Boron Nitride and MoS2 Nanostructures.

In this review, we examine recent progress using boron nitride (BN) and molybdenum disulfide (MoS2) nanostructures for electronic, energy, biomedical, and environmental applications. The scope of coverage includes zero-, one-, and two-dimensional nanostructures such as BN nanosheets, BN nanotubes, BN quantum dots, MoS2 nanosheets, and MoS2 quantum dots. These materials have sizable bandgaps, differentiating them from other metallic nanostructures or small-bandgap materials. We observed two interesting trends: (1) an increase in applications that use heterogeneous materials by combining BN and MoS2 nanostructures with other nanomaterials, and (2) strong research interest in environmental applications. Last, we encourage researchers to study how to remove nanomaterials from air, soil, and water contaminated with nanomaterials. As nanotechnology proceeds into various applications, environmental contamination is inevitable and must be addressed. Otherwise, nanomaterials will go into our food chain much like microplastics.

Zinc nitride quantum dots as an efficient probe for simultaneous fluorescence detection of Cu2+ and Mn2+ ions in water samples.

The exceptional ascending heights of graphene (carbon) and boron nitride nanostructures have invited scientists to explore metal nitride nanomaterials. Herein, Zn3N2 quantum dots (QDs) were prepared via a simple hydrothermal route from the reaction between zinc nitrate hexahydrate and ammonia solution that possess efficient strength towards sensing applications of metal ions (Cu2+ and Mn2+). The as-prepared Zn3N2 QDs show bright fluorescence, displaying an emission peak at 408nm upon excitation at 320nm, with a quantum yield (QY) of 29.56%. It was noticed that the fluorescence intensity of Zn3N2 QDs linearly decreases with the independent addition of Cu2+ and Mn2+ ions, displaying good linearity in the ranges 2.5-50µM and 0.05-5µM with detection limits of 21.77nM and of 63.82nM for Cu2+ and Mn2+ ions, respectively. Theprobe was successfully tested for quantifying Cu2+ and Mn2+ in real samples including river, canal, and tap water, providinggood recoveries with a relative standard deviation < 2%. Furthermore, the masking proposition can successfully eliminate the interference if the twometal ions exist together. It was found that thiourea is efficiently able to mask Cu2+ and selectively quenches Mn2+, and L-cysteine is able to halt the quenching potential of Mn2+ and is selectively able to sense Cu2+. The Zn3N2 QDs provide a simple way for the simultaneous detection of both Cu2+ and Mn2+ ions in environmental samples at lowsample preparationsrequirements.

First-Principles Study of Twin 4–8 Graphene in Carbon and Boron Nitride Nanostructures: Implications for Mechanical and Optoelectronic Nanodevices

First-Principles Study of Twin 4–8 Graphene in Carbon and Boron Nitride Nanostructures: Implications for Mechanical and Optoelectronic Nanodevices

Optimization of ternary composite @PANI/MoO3/h-BN and its electrochemical evaluation as an electrode material for supercapacitor application

The rapid charge-discharge process, high power density and longer cycle life which supercapacitor possess paves way as an important energy storage device in the electronic technology sector. Fast expanding applications in electric vehicles and portable electronics demand high energy storage electrodes. The expansive applications of two dimensional hexagonal boron nitride (h-BN) nanostructures accelerate usage in energy storage systems. Synthesis of Ternary composite consisting of polyaniline (PANI), h-BN (hexagonal boron nitride), molybdenum trioxide (MoO3) is reported with highest capacitance 518 F/g for PMB-135 composite at current density of 1 A/g. The highest energy density among all the composites was PMB-135 observed as 10.34 Wh/kg. This study with controlled size and uniformity may provide extensive self-attaining property for high performance energy storage materials.

Insight into the interaction of pluronic F‐127 functionalized boron nitride nanosheets with piezoelectric poly(l‐lactic acid) nanofiber scaffolds for bone tissue engineering applications

AbstractOwing to their superior mechanical properties, good biocompatibility, biodegradability, and piezoelectric behavior, boron nitride (BN) nanostructures have received significant attention in the biomedical field, including filler in biopolymer composites, drug delivery, and cell stimulation. Nevertheless, the functionalization of BN is essential to overcome their strong agglomeration tendency in solvents and enhance their dispersibility and interfacial interaction with polymer matrix. Herein, we report an efficient dual functionalization approach for BN nanosheets (BNNS) using oleylamine (OLA) and pluronic F127 (PLU). First, BNNS has functionalized with OLA via Lewis acid–base interactions between the amino groups of OLA and the boron atoms of BNNS and then followed by PLU via noncovalent interactions. The composites of PLU‐functionalized boron nitride nanosheets (PLUBN) were reinforced into poly(l‐lactic acid) nanofiber (PLF) matrix, and subsequent changes in physiochemical, mechanical, and piezoelectric properties were reported in a concentration‐dependent manner. In addition, the density functional theory (DFT) calculations demonstrate the significant interaction between PLUBN and PLF. Further, in vitro studies with the preosteoblast (MC3T3‐T1) cells evidenced decent biocompatibility and proliferation with enhanced osteogenic differentiation potentials for the composite scaffolds. Thus, in the future, the reported effective strategy could be employed for preparing BNNS‐based piezoelectric biopolymer composites for tissue engineering applications.