Boron Nitride Research Articles

Magnetic field dependence of $V_B^-$ defects in hexagonal boron nitride

Magnetic field dependence of $V_B^-$ defects in hexagonal boron nitride

Scalable approach for growing hexagonal boron nitride on silicon and its role in III-nitride van der Waals epitaxy

Hexagonal boron nitride (h-BN) stands out among 2D materials for its insulating properties, making it promising for the integration of 2D and 3D materials. However, achieving wafer-scale growth on silicon substrates remains a significant challenge. In this study, growth strategies for depositing h-BN on Si substrates are explored utilizing the wafer scalable metalorganic chemical vapor deposition. Our investigations reveal that employing a pulsed flow mode scheme is preferable over the conventional continuous flow mode scheme in growing h-BN thin films on 150 mm Si substrates. The as-grown h-BN film on Si exhibits uniform coverage with h-BN[0001]//Si[111]. With the successful wafer-scale growth of h-BN on Si, its role in aiding the van der Waals epitaxy of III-nitrides on Si substrates and subsequent epitaxial lift-off (ELO) of III-nitrides is further exemplified. An optimized h-BN thickness for the ELO process is also determined.

Boron nitride nanotubes as carriers of genistein for multitherapeutic cancer treatment: A DFT study of electronic and solubility properties

Increasing cancer mortality statistics demand more accurate and efficient treatments. Nanostructures have proved to be promising choices in this regard. Nanotubes with large surface areas can play multiple roles from drug carriers in targeted drug delivery to beam absorbers in the photothermal method. While carbon nanotubes (CNTs) show cytotoxicity, Boron Nitride Nanotubes (BNNTs) offer wide bandgap and biocompatibility. In this study, we investigate the electronic and solvation properties of (5,5), (6,6), and (7,7) BNNTs computationally by the density functional theory. For multimodal therapy, we considered Iron (Fe) doping in the BNNT, which can be helpful in hyperthermia due to the magnetic moment of Fe. Our results show that doping has improved the band positions. Furthermore, we implemented an organic anticancer molecule, genistein, a metastasis inhibitor. All potent configurations connecting genistein with BNNT covalently demonstrated enhanced water solubility as compared to pristine and Fe-doped BNNTs. The results suggest that the (7,7) C3 complex is the most stable structure and the best drug carrier.

Generating Cationic Nickel Clusters over Oxygen-Functionalized Boron Nitride to Boost Methane Dry Reforming

Generating Cationic Nickel Clusters over Oxygen-Functionalized Boron Nitride to Boost Methane Dry Reforming

Single Electron Self-coherence and Its Wave/Particle Duality in the Electron Microscope.

Intensities in high-resolution phase-contrast images from electron microscopes build up discretely in time by detecting single electrons. A wave description of pulse-like coherent-inelastic interaction of an electron with matter implies a time-dependent coexistence of coherent partial waves. Their superposition forms a wave package by phase decoherence of 0.5 - 1 radian with Heisenbergs energy uncertainty ΔEH = ħ/2 Δt-1 matching the energy loss ΔE of a coherent-inelastic interaction and sets the interaction time Δt. In these circumstances, the product of Planck's constant and the speed of light hc is given by the product of the expression for temporal coherence λ2/Δλ and the energy loss ΔE. Experimentally, the self-coherence length was measured by detecting the energy-dependent localization of scattered, plane matter waves in surface proximity exploiting the Goos-Hänchen shift. Chromatic-aberration Cc-corrected electron microscopy on boron nitride (BN) proves that the coherent crystal illumination and phase contrast are lost if the self-coherence length shrinks below the size of the crystal unit cell at ΔE > 200 eV. In perspective, the interaction time of any matter wave compares with the lifetime of a virtual particle of any elemental interaction, suggesting the present concept of coherent-inelastic interactions of matter waves might be generalizable.

Thermal degradation of polytetrafluoroethylene, modified polytetrafluoroethylene, and their nanocomposites with boron nitride nanobarbs: Lifetime predictions and kinetic analysis

AbstractFlexible polymeric materials including dielectric thermal interface materials (TIMs) used in integrated circuits and other high frequency applications are exposed to extreme thermal and electrical conditions during their service life. Insight into the in‐use thermal stability and material lifetime is valuable to maintaining performance durability and preventing premature failure in actual end use. Herein, the thermal stability of polytetrafluoroethylene (PTFE), modified PTFE and their nanocomposites with recent generation boron nitride nanobarbs (BNNBs) was investigated based on lifetime prediction from thermogravimetric analysis and tensile strength deterioration of heat‐aged samples. Additionally, thermal degradation kinetics and mechanism was investigated using the model‐free advanced isoconversional method based on changing activation energy. The result shows that BNNB extends the lifetime of the PTFE by an order of magnitude. The degradation mechanism proposed from TGA‐MS result is supported by the multistep degradation mechanism identified in the kinetic computation. These results are valuable for predicting materials' in‐use lifetime to avoid premature failure.

Uncertainty analysis of MHD oscillatory flow of ternary nanofluids through a diverging channel: a comparative study of nanofluid composites

Purpose This study aims to investigate the heat and mass transfer characteristics of a temperature-sensitive ternary nanofluid in a porous medium with magnetic field and the Soret–Dufour effect through a tapered asymmetric channel. The ternary nanofluid consists of Boron Nitride Nanotubes (BNNT), silver (Ag) and copper (Cu) nanoparticles, with a focus on understanding the thermal behaviour and performance across mono, hybrid and tri-hybrid nanofluids. This paper also examines the thermal behaviour of MHD oscillatory nanofluid flow and carries out an uncertainty analysis of the model using the Taguchi method. Design/methodology/approach The governing equations for this system are transformed into coupled linear partial differential equations using non-similarity transformations and solved numerically with the Crank–Nicolson scheme. The impact of temperature sensitivity at three distinct temperatures (5°C, 20°C and 60°C) is incorporated to analyse variations in viscosity and Prandtl number. The study also examines the combined effects of Soret–Dufour numbers and thermal radiation on heat and mass transfer within the nanofluid. Findings The results demonstrate that the inclusion of BNNT, Ag and Cu nanoparticles significantly enhances heat and mass transfer rate, with copper nanoparticles showing superior performance in terms of skin friction and heat transfer rates. The Soret and Dufour effects play critical roles in modulating heat and mass diffusion within tri-hybrid nanofluids. The study reveals that temperature sensitivity alters heat and mass transfer characteristics depending on the temperature range, with pronounced variations at elevated temperatures. The influence of thermal radiation and the Peclet number is found to significantly impact temperature distribution and overall heat transfer performance within the asymmetric channel. Originality/value To the best of the authors’ knowledge, this study is the first to analyse the heat and mass diffusion in a ternary nanofluid composed of BNNT, Ag and Cu nanoparticles, considering porous media, oscillatory flow and thermal radiation within a tapered asymmetric channel. The research extends to a novel examination of temperature sensitivity in mono, hybrid and tri-hybrid nanofluids at varying temperature gradients. Furthermore, a comparative analysis of skin friction and heat transfer rates between copper, alumina and ferro composites is presented for optimising the nanofluid performance.

Template Quality Dependent Conversion Synthesis of Boron Nitride Coated Graphene Hybrid Aerogels for Ultrasensitive and Selective Ammonia Sensing

AbstractRecently, hexagonal boron nitride (h‐BN) nanomaterials, e.g., nanosheets and nanotubes, have been predicted to be effective materials for reversible gas adsorption with high selectivity once charged. However, despite the encouraging theoretical predictions, sensing with h‐BN is difficult to realize experimentally due to its electrically insulating nature stemming from its large band gap. In this research, the controlled synthesis of high surface area hybrid h‐BN/graphene aerogel is reported, using high‐quality graphene as a template, and its application for selective gas sensing. It is discovered for the first time in this system that the difficulty of conversion in template synthesis of h‐BN is positively correlated with the quality of the carbon template, an observation that is verified on both graphene nanosheets and carbon nanotubes. The application of this hybrid material for gas sensing yields ppb level of detection limit and high selectivity for NH3. Through density functional theory calculations, the adsorption energy and charge transfer between NH3 molecules and aerogel are greatly enhanced. Therefore, this innovative approach promises new possibilities for the application of h‐BN in gas sensing, with the potential to play a significant role in gas capture, environmental monitoring, and other related fields.

Noise reveals single defects in boron nitride

Noise reveals single defects in boron nitride

Flexible and Hierarchical Structured Alumina Boron Nitride Nanofibrous Aerogel for Thermal Superinsulation in Extreme Conditions

Flexible and Hierarchical Structured Alumina Boron Nitride Nanofibrous Aerogel for Thermal Superinsulation in Extreme Conditions

Droplet impact dynamics on the surface of super-hydrophobic BNNTs stainless steel mesh.

The 'gas‒liquid‒solid' mechanism annealing method was used to create a superhydrophobic boron nitride nanotube (BNNT) stainless steel mesh in a tube furnace at 1250°C in an NH3 environment. Fe powder was used as a catalyst, and B:B2O3 = 4:1 was used as the raw material. The water droplets on the surface of the superhydrophobic material had a contact angle of approximately 150° and a slide angle of approximately 3°. By using molecular dynamics (MD) simulation technology, a three-dimensional braided physical model of nanodroplets and superhydrophobic BNNT mesh surfaces with the same contact angle and rolling angle was prepared via the function weaving method. The Weber number (We) was used as the entrance point to establish the relationship between macroscale experimental studies and nanoscale MD simulation analysis on the basis of these efforts. A study was conducted on the dynamic behaviour of droplets impacting a superhydrophobic BNNT filter surface. We suggest that the wettability, substrate structure, and impact velocity are connected to the impact dynamic behaviour of droplets on the basis of the data obtained at various scales. The findings demonstrate that when the droplet impact velocity increases, several droplet phenomena-such as impact-rebound, impact-spread-rebound, and impact-spread-breaking-polymerisation-spatter-appear on the substrate surface sequentially. The mechanism of impact behaviour at various scales is explained in light of these events. Furthermore, a better theoretical model is proposed to assess the droplet wetting transition at the nanoscale. This model accurately predicts the boundary Weber number that starts the wetting transition. Moreover, the connections among the impact velocity, spreading diameter, and contact time (or We) are examined. The tendencies found via MD simulations match the outcomes of the experiments. Our discoveries and outcomes broaden our understanding of how droplet impact affects the dynamic behaviour of superhydrophobic surfaces. A scientific foundation for examining the dynamic behaviour of droplets is provided by combining simulations and experiments.

Functionalized Triangular Carbon Quantum Dot Stabilized Gold Nanoparticles Decorated Boron Nitride Nanosheets Interfaced for Electrochemical Detection of Cardiac Troponin T.

The fast, and highly sensitive estimation of cardiac troponin T (cTnT) is crucial for the early identification of acute myocardial infarction (AMI). The electrochemical immunoassay-based (EIB) sensors are highly promising for this purpose, as they offer precise measurements and can be directly assessed in intricate matrices, including blood. To increase sensitivity, EIB sensors use nanomaterials or amplification processes, which can be laborious to develop. With this, we develop an electrochemical immunosensor for the sensitive detection of cardiac troponin T (cTnT). The sensing platform is composed of functionalized triangular carbon quantum dots stabilized gold nanoparticles which are integrated with boron nitride nanosheets (caf-TCQDs@AuNPs on HO-BNNS). Ferrocene carboxylic acid (Fc-COOH) serves as the signal label. The composite was developed and examined using several techniques such as X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), cyclic voltammetry, and chronocoulometry. The caf-TCQDs@AuNPs supported on HO-BNNS, have a large surface area and excellent electrical conductivity, and serve as an effective platform for the immobilization of anti-cTnT monoclonal antibodies via carbodiimide coupling. The Fc-COOH, functioning as a signal label through the oxidation process, was integrated with caf-TCQDs@AuNPs on the HO-BNNS platform to establish an electrochemical immunosensor for the detection of cTnT. The electrochemical immunosensor demonstrated excellent performance for the determination of cTnT under optimal conditions, exhibiting a linearity range spanning from 0.0001 to 100 ng mL-1, accompanied by a low detection limit of 0.0013 ng mL-1. Notably, the immunosensor revealed high specificity, as well as excellent levels of reproducibility and reliability for the examination of human serum samples.

Calcium Alginate Fibers/Boron Nitride Composite Lithium-Ion Battery Separators with Excellent Thermal Stability and Cycling Performance

As one of the most critical components in lithium-ion batteries (LIBs), commercial polyolefin separators suffer from drawbacks such as poor thermal stability and the inability to inhibit the growth of dendrites, which seriously threaten the safety of LIBs. In this study, we prepared calcium alginate fiber/boron nitride-compliant separators (CA@BN) through paper-making technology and the surface coating method using calcium alginate fiber and boron nitride. The CA@BN had favorable electrolyte wettability, flame retardancy, and thermal dimensional stability of the biomass fiber separator. Meanwhile, the boron nitride coating provided excellent thermal conductivity and mechanical strength for the composite separator, which inhibited the growth of lithium dendrites and enabled lithium-ion symmetric batteries to achieve more than 1000 stable and long cycles at a current density of 0.5 mA cm−2. The interwoven fiber mesh formed by the boron nitride coating and the calcium alginate provided multiple pathways for ion migration, which enhanced the storage capacity of the electrolyte, improved the interfacial compatibility between the separator and the electrode, widened the window of electrochemical stability, and enhanced ionic migration. This eco-friendly bio-based separator paves a new insight for the design of heat-resistance separators as well as the safe running of LIBs.

Accurate Layer-Number Determination of Hexagonal Boron Nitride Using Optical Characterization.

Precise determination of the layer number (N) of hexagonal boron nitride (hBN) is crucial for its integration with other layered materials in applications such as ferroelectric devices and moiré potential modulation. We present a nondestructive method to accurately identify N, combining optical contrast analysis with second harmonic generation (SHG) measurements. By studying the flakes on 90 nm thick SiO2/Si substrates, we demonstrate that red-filtered optical images provide a clear contrast step in N with an uncertainty of ±1 layer, while SHG measurements further reduce the error by distinguishing even and odd layers. We also introduce a real-time detection technique to identify monolayer and few-layer hBN, improving flake identification efficiency. Given the growing interest in twisted hBN interfaces and their integration in van der Waals heterostructures, this method offers a practical approach for future studies.

Aqueous solution‐assisted in‐situ polymerization for fabrication of BNNS/PA12T nanocomposites with excellent thermal conductivity and mechanical properties

AbstractMaintaining uniform dispersion of nano filler under high content is critical for fabricating polymer‐based composites with great mechanical and thermally conductive properties. In this work, BNNS/PA12T nanocomposite with the highest boron nitride nanosheet (BNNS) content of 23.1 wt% was successfully prepared by the aqueous solution‐assisted in‐situ polymerization method. Results demonstrate that the BNNS can be uniformly dispersed in the composite due to the low viscosity during the polymerization process. As a result, when the content of BNNS is 23.1 wt%, the mechanical properties and thermal conductivity of BNNS/PA12T nanocomposite are 62 MPa and 1.55 W/(m·K). Furthermore, the composites also possess excellent high‐temperature resistance with the coefficient of thermal expansion (CTE) of 60 ppm/°C, about one third of pure PA12T, and the thermal deformation temperature also reaches 139.4°C. Therefore, the fabricated BNNS/PA12T nanocomposite can be effectively applied as thermal management and packaging materials for electronic devices.Highlights BNNS/PA12T nanocomposites were prepared by aqueous solution‐assisted method. BNNS can be uniformly dispersed at the filling content up to 23 wt%. The thermal conductivity of BNNS/PA12T nanocomposite can reach 1.55 W/(m·K). Possessing excellent mechanical properties and dimensional stability. The nanocomposite can be effectively applied for thermal management.

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.

Giant tunnel electroresistance through a Van der Waals junction by external ferroelectric polarization

The burgeoning interest in two-dimensional semiconductors stems from their potential as ultrathin platforms for next-generation transistors. Nonetheless, there persist formidable challenges in fully obtaining high-performance complementary logic components and the underlying mechanisms for the polarity modulation of transistors are not yet fully understood. Here, we exploit both ferroelectric domain-based nonvolatile modulation of Fermi level in transitional metal dichalcogenides (MoS2) and quantum tunneling through nanoscale hexagonal boron nitride (h-BN). Our prototype devices, termed as vertical tunneling ferroelectric field-effect transistor, utilizes a Van der Waals MoS2/h-BN/metal tunnel junction as the channel. The Fermi level of MoS2 is bipolarly tuned by ferroelectric domains and sensitively detected by the direct quantum tunneling strength across the junction, demonstrating an impressive electroresistance ratio of up to 109 in the vertical tunneling ferroelectric field-effect transistor. It consumes only 0.16 fJ of energy to open a ratio window exceeding 104. This work not only validates the effectiveness of tailored tunnel barriers in manipulating electronic flow but also highlights a new avenue for the design flexibility and functional versatility of advanced ferroelectric memory technology.

Impact of hBN Content on the Tribological Behavior and Thermal Diffusivity of HVOF-Sprayed Cr3C2-NiCr Coatings

Considering the significant health risks posed by hard chrome plating during its application, thermally sprayed Cr3C2-NiCr cermet coatings represent a suitable alternative. Incorporating hexagonal boron nitride (hBN) as a dry lubricant into the feedstock powder can further enhance wear resistance and thermal conductivity, crucial for preventing premature failure caused by inadequate lubrication. In this study, the mass fraction of hBN was varied between 0 and 15 wt.% to assess its influence on the tribological performance of the coatings using pin-on-disk tests. The coating’s hardness was measured via the Vickers method, and its cracking tendency at the coating/substrate interface was evaluated. Scanning electron microscopy (SEM) and X-ray diffraction (XRD) were employed to analyze the microstructure and phase composition, while thermal diffusivity was determined using the laser flash method. The findings revealed that the inclusion of hBN, at concentrations of up to 10 wt.%, leads to an improvement in thermal diffusivity and a reduction in the coefficient of friction. However, exceeding this threshold leads to a decrease in hardness and increased crack formation tendency, highlighting the trade-off between frictional and mechanical properties.

Two-Level Electronic Switching in Individual Manganese-Phthalocyanine Molecules with Jahn-Teller Distortion.

Understanding single molecular switches is a crucial step in designing and optimizing molecular electronic devices with highly nonlinear functionalities, e.g., gate voltage-dependent current switching. An atomically thin insulating template, in combination with scanning probe techniques, is an ideal platform to study such switches on the single-molecule level. In this study, we investigate manganese-phthalocyanine (MnPc) molecules on monolayer-thin epitaxial hexagonal boron nitride (h-BN) on Rh(111) by scanning tunneling microscopy (STM), spectroscopy (STS), and theoretical calculations. Several interesting phenomena are found: (1) high-resolution STM imaging of the molecular orbitals reveals symmetry breaking from D4h to D2h, observed in one type of MnPc. By comparison with simulations, this phenomenon can be attributed to the Jahn-Teller effect due to the negative charging of the molecule. (2) Ambipolar transitions at the molecule occur at fixed sample biases of about ±0.4 V, which manifest as negative differential conductance signatures in dI/dV spectroscopy. (3) The stochastic two-level switching, resulting in telegraphic noise in the tunneling current, manifests as a one-electron activated process. We present a two-level switching model to accurately describe a bias-dependent current-driven transition between the levels and reveal a first-order transition. The understanding and tailoring of molecular switches on the ultrathin insulating layer will be very helpful for future organic electronics design and application.

Thermally Conductive Polydimethylsiloxane-Based Composite with Vertically Aligned Hexagonal Boron Nitride

The considerable heat generated in electronic devices, resulting from their high-power consumption and dense component integration, underscores the importance of developing effective thermal interface materials. While composite materials are ideal for this application, the random distribution of filling materials leads to numerous interfaces, limiting improvements in thermal transfer capabilities. An effective method to improve the thermal conductivity of composites is the alignment of anisotropic fillers, such as hexagonal boron nitride (BN). In this study, the repeat blade coating method was employed to horizontally align BN within a polydimethylsiloxane (PDMS) matrix, followed by flipping and cutting to prepare BN/PDMS composites with vertically aligned BN (V-BP). The V-BP composite with 30 wt.% BN exhibited an enhanced out-of-plane thermal conductivity of up to 1.24 W/mK. Compared to the PDMS, the V-BP composite exhibited outstanding heat dissipation capacities. In addition, its low density and exceptional electrical insulation properties showcase its potential for being used in electronic devices. The impact of coating velocity on the performance of the composites was further studied through computational fluid dynamics simulation. The results showed that increasing the coating velocity enhanced the out-of-plane thermal conductivity of the V-BP composite by approximately 40% compared to those prepared at slower coating velocities. This study provides a promising approach for producing thermal interface materials on a large scale to effectively dissipate the accumulated heat in densely integrated electronic devices.