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At least 667 records · Page 37

Batch fabrication of mesoporous boron-doped nickel oxide nanoflowers for electrochemical capacitors

Highlights: • A new facile liquid-phase method has been employed for synthesis boron-doped NiO nanoflowers. • The specific surface area of NiO is as high as 200 m{sup 2} g{sup −1}. • NiO nanoflowers exhibit a high specific capacitance of ∼1309 F g{sup −1} at a charge and discharge current density of 3 A g{sup −1}. • NiO nanoflowers have excellent cycling ability and even after 2500 cycles there is no significant reduction in specific capacitance. - Abstract: Boron-doped nickel oxide (B-NiO) nanoflowers are prepared by simple thermal decomposition of nickel hydroxide. B-NiO is porous sphere with a diameter of about 400 nm. B-NiO nanoflowers are composed of approximately 30 nm nanoplates and the thickness of the nanosheets is approximately 3 nm. The specific surface area of the material is as high as 200 m{sup 2} g{sup −1} and the pore size distribution curves of B-NiO has three typical peaks in the range of mesoporous (5 nm, 13 nm and 18 nm). As an electrode for supercapacitors, the crystalline B-NiO nanoflowers have favorable characteristics, for instance, a specific capacitance of 1309 F g{sup −1} at a current density of 3 A g{sup −1} and no significant reduction in Coulombic efficiency after 2500 cycles at 37.5 A g{sup −1}. This remarkable electrochemical performance will make B-NiO nanoflowers a promising electrode material for high performance supercapacitors.

36 MATERIALS SCIENCE↗

Facile synthesis of metal free non-toxic Boron Carbon Nitride nanosheets with strong photocatalytic behavior for degradation of industrial dyes

Highlights: • Boron Carbon Nitride nanosheet (BCN) was synthesized by thermal condensation method. • Highly stable and reusable BCN photocatalyst was used to degrade Cibacron FN-2R dye. • Active species involved in the photoreaction process was investigated. • Toxicity of the catalyst was studied using bactericidal and Larvicidal activity. - Abstract: A simple one-step method for the fabrication of Boron Carbon Nitride (BCN) nanosheets at a temperature of 580 °C was developed. Boric anhydride, urea and melamine precursors were thermally condensed in the nitrogen atmosphere. The optical band gap of BCN was estimated to be 3.01 eV, resembling a typical wide bandgap semiconductor. XPS peaks revealed that B, C and N atoms are bound together by BN, BC and CN bonds. The Photodegradation of Cibacron yellow FN-2R dye by BCN was evaluated under UV irradiation and the results were compared with the C{sub 3}N{sub 4}. The active species involved in the reaction was studied using radical scavengers. The toxicity of the photocatalyst before and after degradation was determined using CArtemia salina’s nauplii and certain bacterial species. Facile synthesis, high stability and toxic free against aggregation in water, the as-fabricated metal free BCN nanosheets show promising results in achieving efficient dye degradation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Superconductivity in alkaline earth metal doped boron hydrides

Effects of alkaline earth metal atoms doping in boron hydrides at high pressure are investigated by first-principles calculations. The calculated results showed that doping with Mg, Ca, Ba, and Sr in B8H16 at 50 GPa is thermodynamically favorable and dynamically stable. The doping changes the B 8 H 16 from a semiconductor to a metal with substantial electronic density-of-state around the Fermi level. The superconductivity of the alkaline earth metal doped B 8 H 16 is studied based on electron-phonon coupling mechanism. The calculated critical superconducting transition temperatures (T c ) range from 10 to 25 K at 50 GPa upon doping. These results suggest that doping metal atoms in boron hydrides is an efficient way in designing superconducting materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The coat protein of Alternanthera mosaic virus is the elicitor of a temperature-sensitive systemic necrosis in Nicotiana benthamiana, and interacts with a host boron transporter protein

Different isolates of Alternanthera mosaic virus (AltMV; Potexvirus), including four infectious clones derived from AltMV-SP, induce distinct systemic symptoms in Nicotiana benthamiana. Virus accumulation was enhanced at 15 °C compared to 25 °C; severe clone AltMV 3-7 induced systemic necrosis (SN) and plant death at 15 °C. No interaction with potexvirus resistance gene Rx was detected, although SN was ablated by silencing of SGT1, as for other cases of potexvirus-induced necrosis. Substitution of AltMV 3-7 coat protein (CP{sub SP}) with that from AltMV-Po (CP{sub Po}) eliminated SN at 15 °C, and ameliorated symptoms in Alternanthera dentata and soybean. Substitution of only two residues from CP{sub Po} [either MN(13,14)ID or LA(76,77)IS] efficiently ablated SN in N. benthamiana. CP{sub SP} but not CP{sub Po} interacted with Arabidopsis boron transporter protein AtBOR1 by yeast two-hybrid assay; N. benthamiana homolog NbBOR1 interacted more strongly with CP{sub SP} than CP{sub Po} in bimolecular fluorescence complementation, and may affect recognition of CP as an elicitor of SN. - Highlights: • Alternanthera mosaic virus CP is an elicitor of systemic necrosis in N. benthamiana. • Virus-induced systemic necrosis is enhanced at 15 °C compared to 25 °C. • Induction of systemic necrosis is dependent on as few as two CP amino acid residues. • These residues are at subunit interfaces within the same turn of the virion helix. • Inducer/non-inducer CPs interact differentially with a boron transporter protein.

60 APPLIED LIFE SCIENCES↗

Avalanche boron fusion by laser picosecond block ignition with magnetic trapping for clean and economic reactor

Measured highly elevated gains of proton–boron (HB11) fusion (Picciotto et al. , Phys. Rev. X 4 , 031030 (2014)) confirmed the exceptional avalanche reaction process (Lalousis et al. , Laser Part. Beams 32 , 409 (2014); Hora et al. , Laser Part. Beams 33 , 607 (2015)) for the combination of the non-thermal block ignition using ultrahigh intensity laser pulses of picoseconds duration. The ultrahigh acceleration above $10^{20}~\text{cm}~\text{s}^{-2}$ for plasma blocks was theoretically and numerically predicted since 1978 (Hora, Physics of Laser Driven Plasmas (Wiley, 1981), pp. 178 and 179) and measured (Sauerbrey, Phys. Plasmas 3 , 4712 (1996)) in exact agreement (Hora et al. , Phys. Plasmas 14 , 072701 (2007)) when the dominating force was overcoming thermal processes. This is based on Maxwell’s stress tensor by the dielectric properties of plasma leading to the nonlinear (ponderomotive) force $f_{\text{NL}}$ resulting in ultra-fast expanding plasma blocks by a dielectric explosion. Combining this with measured ultrahigh magnetic fields and the avalanche process opens an option for an environmentally absolute clean and economic boron fusion power reactor. Finally, this is supported also by other experiments with very high HB11 reactions under different conditions (Labaune et al. , Nature Commun. 4 , 2506 (2013)).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DMRG on Top of Plane-Wave Kohn–Sham Orbitals: A Case Study of Defected Boron Nitride

In this paper, we analyze the numerical aspects of the inherent multi reference density matrix renormalization group (DMRG) calculations on top of the periodic Kohn-Sham density functional theory using the complete active space approach. The potential of the framework is illustrated by studying hexagonal boron nitride nanoflakes embedding a charged single boron vacancy point defect by revealing a vertical energy spectrum with a prominent multireference character. We investigate the consistency of the DMRG energy spectrum from the perspective of sample size, basis size, and active space selection protocol. Results obtained from standard quantum chemical atom-centered basis calculations and plane-wave based counterparts show excellent agreement. Furthermore, we also discuss the spectrum of the periodic sheet which is in good agreement with extrapolated data of finite clusters. These results pave the way toward applying the DMRG method in extended correlated solid-state systems, such as point defect qubit in wide band gap semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Phonon Dispersion Relation of Bulk Boron-Doped Graphitic Carbon

In this work, bulk turbostratic graphitic carbon of varying levels of disorder and chemical compositions has been synthesized by a direct synthesis method in the temperature range of 750–1100 °C, with a focus on boron incorporation within the graphitic lattice. The atomistic and electronic/vibrational structures were characterized by X-ray diffraction, energy-dispersive X-ray spectroscopy, Auger electron spectroscopy, X-ray absorption spectroscopy, and Raman spectroscopy. The phonon dispersion relation of graphitic carbon was found to be uniquely sensitive to substitutional boron doping, which perturbs the phonon structure while leaving the lattice structure unchanged. The dispersion relation of the D peak measured by Raman spectroscopy can be used to uniquely identify bulk graphitic materials containing a large content of ordered trigonal planar g-BC 3 units, which are of high interest in applications ranging from hydrogen storage to lithium-ion batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

First-Principles Predictions of Out-of-Plane Group IV and V Dimers as High-Symmetry, High-Spin Defects in Hexagonal Boron Nitride

Hexagonal boron nitride (h-BN) has been recently found to host a variety of quantum point defects, which are promising candidates as single-photon sources for solid-state quantum nanophotonic applications. Most recently, optically addressable spin qubits in h-BN have been the focus of intensive research due to their unique potential in quantum computation, communication, and sensing. However, the number of high-symmetry, high-spin defects that are desirable for developing spin qubits in h-BN is highly limited. Here, we combine density functional theory (DFT) and quantum embedding theories to show that out-of-plane X N Y i dimer defects (X, Y = C, N, P, and Si) form a new class of stable C 3v spin-triplet defects in h-BN. We find that the dimer defects have a robust 3 A 2 ground state and 3 E excited state, both of which are isolated from the h-BN bulk states. We show that 1 E and 1 A shelving states exist and they are positioned between the 3 E and 3 A 2 states for all the dimer defects considered in this study. To support future experimental identification of the X N Y i dimer defects, we provide extensive characterization of the defects in terms of their spin and optical properties. We predict that the zero-phonon line of the spin-triplet X N Y i defects lies in the visible range (800 nm to 500 nm). We compute the zero-field splitting of the dimers’ spin to range from 1.79 GHz (Si N P i o ) to 29.5 GHz (C N N i o ). Furthermore, our results broaden the scope of high-spin defect candidates that would be useful for the development of spin-based solid-state quantum technologies in two-dimensional hexagonal boron nitride.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Off-Equilibrium Reactivity of Boron-Enriched Metal Diboride Surfaces in Electroreduction Conditions

Boron-based materials, featuring B-dependent reactivity and diverse phases, are emerging as promising catalyst systems. However, the catalytic mechanism on many borides remains poorly understood due to complex surface reconstructions under reaction conditions. Here, we investigate the MoB 2 surface in conditions of hydrogen evolution reaction in acidic media, using grand canonical global optimization, grand canonical density functional theory, ab initio molecular dynamics, free energy surface sampling, and an analytical model for electrochemical barrier evaluation. We propose a boron-enrichment strategy to tune the surface reactivity of the hexagonal face of MoB 2 . We reveal the dynamic nature of the B-enriched surface under H coverage and kinetic trapping of the system in the metastable regime with an extensive examination of the deactivation pathways. The metastable center B site on B-enriched surfaces, featuring buckled-up configuration and a usual relaxation effect, is found to be highly active toward HER via the Volmer–Heyrovsky mechanism. In conclusion, this work demonstrates how off-equilibrium behaviors can arise from the interplay between adsorbate coverage and surface reconstruction on a seemingly simple surface, and we present a theoretical framework and computational workflows to address these behaviors, along with other realistic complexities, in kinetics simulations.

Adsorption↗

Robust Multicolor Single Photon Emission from Point Defects in Hexagonal Boron Nitride

Hexagonal boron nitride (hBN) is an emerging two-dimensional material for quantum photonics owing to its large bandgap and hyperbolic properties. We report two approaches for engineering quantum emitters in hBN multilayers using either electron beam irradiation or annealing and characterize their photophysical properties. The defects exhibit a broad range of multicolor room-temperature single photon emissions across the visible and the near-infrared spectral ranges, narrow line widths of sub-10 nm at room temperature, and a short excited-state lifetime, and high brightness. We show that the emitters can be categorized into two general groups, but most likely possess similar crystallographic structure. Remarkably, the emitters are extremely robust and withstand aggressive annealing treatments in oxidizing and reducing environments. Our results constitute a step toward deterministic engineering of single emitters in 2D materials and hold great promise for the use of defects in boron nitride as sources for quantum information processing and nanophotonics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Atomic structure of light-induced efficiency-degrading defects in boron-doped Czochralski silicon solar cells

Boron-doped Czochralski (Cz) Si is the most commonly used semiconductor in the fabrication of solar cells. The minority carrier lifetime of boron-doped Cz Si decreases upon exposure to light due to B–O-related defects, which reduce the performance of ~10 9 solar modules worldwide. Using electron paramagnetic resonance (EPR), we have identified the spin-active paramagnetic signatures of this phenomenon and gained insights into its microscopic mechanism. We found a distinct defect signature, which diminished when the degraded sample was annealed. The second signature, a broad magnetic field spectrum, due to the unionized B acceptors, was present in the annealed state but vanished upon light exposure. These observations show that, on degradation, nearly all the ~10 16 cm –3 B atoms in Cz Si complexed with interstitial O atoms, whereas only ~10 12 cm –3 of these complexes created defects that were recombination-active. The formation rate of these recombination-active defects correlated with the decay of the minority carrier lifetime. Furthermore, the line shape parameters linked these defects to both B and O impurities in Cz Si.

14 SOLAR ENERGY↗

A Highly Efficient Neutron Veto Using Boron-Loaded Liquid Scintillator

By surrounding a dark matter detector with a layer of boron-loaded liquid scintillator, a highly efficient neutron veto can be produced. In Monte Carlo studies, a one meter thick layer of scintillator has a veto efficiency greater than 99.5% for nuclear recoil events induced by radiogenic neutrons, and a veto efficiency of more than 95% for nuclear recoil events produced by cosmogenic neutrons. The use of boron-loaded scintillator both reduces the veto-induced dead time by decreasing the neutron capture time and allows high neutron detection efficiency to be achieved in a relatively compact geometry.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Natural Radioactivity of Boron Added Clay Samples

Clay, consisting fine-grained minerals, is an interesting materials and can be used in a variety of different fields especially in dermatology application. Using clay such a field it is important to measure its natural radioactivity. Thus the purpose of this study is to measure {sup 226}Ra, {sup 232}Th and {sup 40}K concentration in clay samples enriched with boron. Three different types of clay samples were prepared where boron is used in different rate. The measurements have been determined using a gamma-ray spectrometry consists of a 3''x3'' NaI(Tl) detector. From the measured activity the radium equivalent activities (Ra{sub eq}), external hazard index (H{sub ex}), absorbed dose rate in air (D) and annual effective dose (AED) have also been obtained.

54 ENVIRONMENTAL SCIENCES↗

Boron-rich plasma by high power impulse magnetron sputtering of lanthanum hexaboride

Boron-rich plasmas have been obtained using a LaB{sub 6} target in a high power impulse sputtering (HiPIMS) system. The presence of {sup 10}B{sup +}, {sup 11}B{sup +}, Ar{sup 2+}, Ar{sup +}, La{sup 2+}, and La{sup +} and traces of La{sup 3+}, {sup 12}C{sup +}, {sup 14}N{sup +}, and {sup 16}O{sup +} have been detected using an integrated mass and energy spectrometer. Peak currents as low as 20 A were sufficient to obtain plasma dominated by {sup 11}B{sup +} from a 5 cm planar magnetron. The ion energy distribution function for boron exhibits an energetic tail extending over several 10 eV, while argon shows a pronounced peak at low energy (some eV). This is in agreement with models that consider sputtering (B, La) and gas supply (from background and 'recycling'). Strong voltage oscillations develop at high current, greatly affecting power dissipation and plasma properties.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

High sensitivity boron quantification in bulk silicon using the {sup 11}B(p,{alpha}{sub 0}){sup 8}Be nuclear reaction

There is a great need to quantify sub-ppm levels of boron in bulk silicon. There are several methods to analyze B in Si: Nuclear Reaction Analysis using the {sup 11}B(p,{alpha}{sub 0}){sup 8}Be reaction exhibits a quantification limit of some hundreds ppm of B in Si. Heavy Ion Elastic Recoil Detection Analysis offers a detection limit of 5 to 10 at. ppm. Secondary Ion Mass Spectrometry is the method of choice of the semiconductor industry for the analysis of B in Si. This work verifies the use of NRA to quantify B in Si, and the corresponding detection limits. Proton beam with 1.6 up to 2.6 MeV was used to obtain the cross-section of the {sup 11}B(p,{alpha}{sub 0}){sup 8}Be nuclear reaction at 170 Degree-Sign scattering angle. The results show good agreementwith literature indicating that the quantification of boron in silicon can be achieved at 100 ppm level (high sensitivity) at LAMFI-IFUSP with about 16% uncertainty. Increasing the detection solid angle and the collected beam charge, can reduce the detection limit to less than 100 ppm meeting present technological needs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Thermal transport in boron nitride nanotorus—towards a nanoscopic thermal shield

Nanotori, or nanorings, are topological variants of nanotubes and are conceived to have different properties from their tubular form. In this study, the toroidal arrangement of boron nitride is introduced. Using classical molecular dynamics simulations, the thermal behaviour (thermal conductivity and thermal stability) of the boron nitride nanotorus and its relationship with the structural characteristics are investigated. Its circumferential thermal rectification strength displays a linear dependence on the bending coefficient of the nanostructure. Surface kinks are relatively inconsequential on its circumferential mode of conduction, as compared to its axial sense. The circumferential conductivity in the diffusive regime is calculated to be approximately 10 W/m K, while the axial conductivity is more than tenfold of this value. All nanotori with different toroidal characters show excellent thermal stability at extremely high temperatures approaching 3400 K. With consideration to its favourable properties, a thermal shield made up of a parallel row of nanotori is proposed as a nanoscale thermal insulation device.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Influence of hydrogen effusion from hydrogenated silicon nitride layers on the regeneration of boron-oxygen related defects in crystalline silicon

The degradation effect boron doped and oxygen-rich crystalline silicon materials suffer from under illumination can be neutralized in hydrogenated silicon by the application of a regeneration process consisting of a combination of slightly elevated temperature and carrier injection. In this paper, the influence of variations in short high temperature steps on the kinetics of the regeneration process is investigated. It is found that hotter and longer firing steps allowing an effective hydrogenation from a hydrogen-rich silicon nitride passivation layer result in an acceleration of the regeneration process. Additionally, a fast cool down from high temperature to around 550 °C seems to be crucial for a fast regeneration process. It is suggested that high cooling rates suppress hydrogen effusion from the silicon bulk in a temperature range where the hydrogenated passivation layer cannot release hydrogen in considerable amounts. Thus, the hydrogen content of the silicon bulk after the complete high temperature step can be increased resulting in a faster regeneration process. Hence, the data presented here back up the theory that the regeneration process might be a hydrogen passivation of boron-oxygen related defects.

36 MATERIALS SCIENCE↗

Asymmetric twins in rhombohedral boron carbide

Superhard materials consisting of light elements have recently received considerable attention because of their ultrahigh specific strength for a wide range of applications as structural and functional materials. However, the failure mechanisms of these materials subjected to high stresses and dynamic loading remain to be poorly known. We report asymmetric twins in a complex compound, boron carbide (B{sub 4}C), characterized by spherical-aberration-corrected transmission electron microscopy. The atomic structure of boron-rich icosahedra at rhombohedral vertices and cross-linked carbon-rich atomic chains can be clearly visualized, which reveals unusual asymmetric twins with detectable strains along the twin interfaces. This study offers atomic insights into the structure of twins in a complex material and has important implications in understanding the planar defect-related failure of superhard materials under high stresses and shock loading.

36 MATERIALS SCIENCE↗