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  • articleNo Access

    EFFECT OF BORON ON MICROSTRUCTURE AND MECHANICAL PROPERTIES OF HOT-ROLLED Nb-ADDED HSLA H-SECTION STEEL

    In our research, boron was added into the Nb-added high strength low alloy (HSLA) H-section steels. The contents of boron added were 4ppm, 8ppm and 11ppm, respectively. The mechanical properties of H-section steels with/without boron were examined by using uniaxial tensile test and Charpy impact test (V-notch). The morphologies of the microstructure and the fracture surfaces of the impact specimens were observed by metalloscope, stereomicroscope and electron probe. The experimental results indicate that boron gives a significant increase in impact toughness, especially in low temperature impact toughness, though it leads to an unremarkable increase in strength and plasticity. For instance, the absorbed energy at -40°C reaches up to 126J from 15J by 8ppm boron addition, and the ductile-brittle transition temperature declines by 20°C. It is shown that boron has a beneficial effect on grain refinement. The fracture mechanism is transited from cleavage fracture to dimple fracture due to boron addition.

  • articleNo Access

    FIRST-PRINCIPLES STUDY OF NANODIAMOND DOPED WITH B AND N

    Nanodiamonds of different sizes doped with B and N impurities are studied by density functional theory. We find that the most stable sites for the B and N dopants are different. The substitutional B tends to stay in the middle region of a nanodiamond, while the energetically preferable site for N is on the surface of the nanodiamond. The chemical bonding and electronic properties of the B- and N-doped nanodiamonds are also discussed.

  • articleNo Access

    EFFECT OF BORON ON CREEP DUCTILITY AND CREEP RUPTURE LIFE IN 9CR-1.5MO STEEL

    In this study, the relationship between the creep ductility and rupture life of 9Cr-1.5Mo steel with boron addition at 600°C was investigated by small punch (SP) creep test from the viewpoint of the modified Monkman-Grant relation. The amount of boron addition ranged from 0.0076wt% to 0.0196 wt%. The general concept of Monkman-Grant ductility for uniaxial creep was introduced and then particularly modified for the SP creep. The microstructure of the steel was observed to analyze the effect of boron addition on the creep ductility and rupture life. Based on the modified Monkman-Grant ductility for SP creep, it was found that the boron addition improved the creep ductility and rupture life of the 9Cr-1.5Mo steel. Also, the relationship between the minimum creep displacement rate and the amount of boron addition was analyzed.

  • articleNo Access

    2D quasi-planar or 3D structures? A comparison between CrBn(n=210) wheel-like clusters and their corresponding 3D pyramidal clusters, and their hydrogen storage capability

    In this study, we investigated stable structures for a transition metal atom–boron (CrB) wheel-like clusters and compared them with their corresponding 3D counterparts by means of density functional theory (DFT). In addition, hydrogen storage capability of the wheel-like system was investigated. All simulations were performed at the B3LYP/TZVP level of theory. We set out a complete route to the formation of CrB wheel-like clusters. Our results showed that, some of the clusters, investigated in this work (CrBn; n = 4, 6, 7, 8), either prefer to be in a 3D geometry rather than 2D quasi-planar or planar geometry. However, hydrogen doping has an interesting effect on both 2D quasi-planar and 3D geometries of this system. Simply it transforms the 3D structure, first, into a 2D quasi-planar, then a planar geometry. Furthermore, our results show that H–cluster interaction is too high for reversible hydrogen storage for these clusters.

  • articleNo Access

    First-principle calculations of ternary compounds: Immm-BxTi3xN2

    Boron nitride (BN) and Titanium nitrides (TiNs) have been successfully researched recently. In order to analyze the relationship among the Boron, Nitrogen and Titanium, the ternary compounds with an orthorhombic structure Immm- are studied. We further researched on the mechanical, electronic and optical properties of new Immm-BxTi3xN2 (x=1,2). The structures of BTi2N2 and B2TiN2 are mechanically stable at 0, 50 and 100 GPa. The BTi2N2 has the higher cutting resistance and better ductility than the B2TiN2. The higher Young’s modulus of B2TiN2 indicates the B2TiN2 is stiffer than BTi2N2. The BTi2N2 is harder to compress in the Y direction and the B2TiN2 is harder in Z direction. Immm-BTi2N2 and B2TiN2 have good metallicity at 0 and 100 GPa. Immm-BTi2N2 has the higher dielectric function than B2TiN2 and the plasma frequency of B2TiN2 is bigger than that of BTi2N2. We hope our work will provide some help to the experimental work about the technology of the material.

  • articleNo Access

    Wear performance of selective laser melted Ti-6Al-4V alloy in situ modified with oxygen and boron

    Titanium alloys have poor wear performance, with severe adhesive wear and three-body abrasion being dominant mechanisms. To extend the use of titanium to applications demanding better wear properties, modifications can be made to the alloys. This can include the addition of hard particulates or interstitial strengthening, by increasing the oxygen or nitrogen content. The metal additive manufacturing process of selective laser melting (SLM) has been shown to enable manufacture of these modified titanium alloys in situ. In this study, small amounts of boron and titanium dioxide powders were added to Ti-6Al-4V (Ti64) and processed using SLM. To compare wear performance of these modified materials, reciprocating pin on plate tests in brine solution were performed. Increased oxygen content increased the hardness of the material, which reduced wear. The presence of boron increased wear in the short term but reduced the long-term wear rate. Incorporating of oxygen and boron has been shown to improve the saline solution wear properties of Ti64 against silicon nitride.

  • articleNo Access

    Effects of boron on the mechanical properties of the TiAl–Ti3Al alloy: A first-principles investigation

    Employing a first-principles method in combination with the empirical criterions, we have investigated the site preference of boron (B) and its effect on the mechanical properties of the binary-phase TiAl–Ti3Al alloy. It is found that B energetically prefers to occupy the Ti-rich octahedral interstitial site, because B is more favorable to bond with Ti in comparison with Al. The occupancy tendency of B in the TiAl–Ti3Al alloy is the TiAl/Ti3Al interface > Ti3Al > TiAl, thus B tends to segregate into the binary-phase interface in the TiAl–Ti3Al alloy. The charge density difference shows that B at the TiAl–Ti3Al interface will form strong B–Ti bonds and weak B–Al bonds, leading to the significant increasing of the cleavage energy (γcl) and the unstable stacking fault energy (γus). This indicates that the presence of B will strengthen the TiAl/Ti3Al interface, but block its mobility. Further, the ratio of γcl/γus of the B-doped system is 4.63%, 8.19% lower than that of the clean system. Based on the empirical criterions, B will have a negative effect on the ductility of the TiAl–Ti3Al alloy.

  • articleNo Access

    EFFECT OF BORON WEIGHT PERCENTAGES IN THE TARGET OF PULSED LASER DEPOSITION ON THE PREPARATION OF BORON-DOPED AMORPHOUS CARBON FILMS

    The effect of boron weight percentage in the camphoric carbon target of pulsed laser deposition on the preparation of boron-doped amorphous carbon (a-C:B) films has been studied using standard measurement techniques. XPS results showed the a-C:B films bonding properties almost unchanged at lower Bwt% up to 10 Bwt%, after which it changes with the increase of Bwt%, indicating increasing doping concentration with increase of Bwt% in the target. This phenomenon is further supported by FTIR and Visible-Raman spectroscopy analyses. The variation of bonding and structural properties are also correlated with the optical gap (Eg) and electrical resistivity (ρ) characteristics which are related to successful doping of B for low content of B in the amorphous carbon (a-C) films as the bonding, structural and Eg remain almost unchanged, and the ρ decreased untill the film deposited at 10 Bwt%. Since both the Eg and ρ decrease sharply with higher Bwt%, this phenomenon can be related to the graphitization.

  • articleNo Access

    PHOTOELECTRICAL PROPERTIES OF p-TYPE AND n-TYPE ELECTRICAL CONDUCTIVITY AMORPHOUS CARBON THIN FILMS FOR APPLICATION IN ECONOMICAL CARBON-BASED SOLAR CELLS

    The successful deposition of boron (B)-doped p-type (p-C:B) and phosphorous (P)-doped n-type (n-C:P) carbon (C) films, and fabrication of p-C:B on silicon (Si) substrate (p-C:B/n-Si) and n-C:P/p-Si cells by the technique of pulsed laser deposition (PLD) using graphite target is reported. The cells' performances are represented in the dark I–V rectifying curve and I–V working curve under illumination when exposed to AM 1.5 illumination condition (100 mW/cm2, 25°C). The open circuit voltage (Voc) and short circuit current density (Jsc) for p-C:B/n-Si are observed to vary from 230–250 mV and 1.5–2.2 mA/cm2, respectively, and to vary from 215–265 mV and 7.5–10.5 mA/cm2, respectively, for n-C:P/p-Si cells. The p-C:B/n-Si cell fabricated using the target with the amount of B by 3 Bwt% shows highest energy conversion efficiency, η = 0.20%, and fill factor, FF = 45%, while, the n-C:P/p-Si cell with the amount of P by 7 Pwt% shows highest energy conversion efficiency, η = 1.14%, and fill factor, FF = 41%. The quantum efficiencies (QE) of the p-C:B/n-Si and n-C:P/p-Si cells are observed to improve with Bwt% and Pwt%, respectively. The contributions of QE are suggested to be due to photon absorption by carbon layer in the lower wavelength region (below 750 nm) and Si substrates in the higher wavelength region. The dependence of B and P content on the electrical and optical properties of the deposited films, and the photovoltaic characteristics of the respective p-C:B/n-Si and n-C:P/p-Si heterojunction photovoltaic cells, are discussed.

  • articleNo Access

    ELECTRONIC DOPING OF AMORPHOUS CARBON THIN FILMS

    This paper reports on the successful deposition of boron (B)-doped p-type (p-C:B) and phosphorus (P)-doped n-type (p-C:P) carbon (C) films, and the fabrication of p-C:B on silicon (Si) substrate (p-C:B/n-Si) and n-C:P/p-Si cells by a pulsed laser deposition (PLD) technique using a graphite target at room temperature. The boron and phosphorus atoms incorporated in the films were determined by X-ray photoelectron spectroscopy (XPS) to be in the range of 0.2–1.75 and 0.22–1.77 atomic percentages, respectively. The cells performances have been given in the dark I–V rectifying curve and I–V working curve under illumination when exposed to AM 1.5 illumination conditions (100 mW/cm2, 25°C). The open circuit voltage (Voc) and short circuit current density (Jsc) for p-C:B/n-Si are observed to vary from 230 to 250 mV and from 1.5 to 2.2 mA/cm2, respectively; they vary from 215 to 265 mV and from 7.5 to 10.5 mA/cm2, respectively, for n-C:P/p-Si cells. The p-C:B/n-Si cell fabricated using the target with the amount of boron by 3 weight percentages (Bwt%) showed the highest energy conversion efficiency, η = 0.20% and fill factor, FF = 45%. The n-C:P/p-Si cell fabricated using the target with the amount of 7 Pwt% showed the highest η = 1.14% and FF = 41%. The quantum efficiency (QE) of the p-C:B/n-Si and n-C:P/p-Si cells were observed to improve with Bwt% and Pwt%, respectively. The contribution of QE in the lower wavelength region (below 750 nm) may be due to photon absorption by the carbon layer, in the higher wavelength region it was due to the Si substrates. In this paper, the dependence of the boron and phosphorus content on the electrical and optical properties of the deposited films and the photovoltaic characteristics of the respective p-C:B/n-Si and n-C:P/p-Si heterojunction solar cells are discussed.

  • articleNo Access

    FIRST PRINCIPLES STUDY OF BORON SEGREGATION ON THE formula SURFACE

    Segregation of boron on formula surface has been studied using the periodical calculations within the local density approximation. The obtained segregation energy (enthalpy) of about -1.9 eV is close to the published data of experimental studies and previous cluster semiempirical calculations. The influence of plane-wave basis set cutoff energy and the slab unit cell depth on the value of segregation energy has been investigated.

  • articleNo Access

    TRIBOLOGICAL PROPERTIES OF SURFACE LAYER WITH BORON IN FRICTION PAIRS

    The aim of the present work is to determine the influence of technologically produced boron surface layers on the friction parameters in the sliding pairs under the conditions of mixed friction. The tribological evaluation included ion nitrided, pack borided, laser borided, quenched and tempered surface layers and TiB2 coating deposited on 38CrAlMo5-10, 46Cr2 and 30MnB4 steels. Modified surface layers of annular samples were matched under test conditions with counter-sample made from AlSn20 bearing alloy. Tested sliding pairs were lubricated with 15 W/40 Lotos mineral engine oil. The tribological tests were conducted on a T-05 block on ring tester. The applied steel surface layer modification with boron allows surface layers to be created with pre-determined tribological characteristics required for the elements of kinematic pairs operating in the conditions of sliding friction. Pack boronizing reduces the friction coefficient during the start-up of the frictional pair and the maximum start-up resistance level is similar to the levels of pairs with nitrided surface layers.

  • articleNo Access

    SIMULATION OF BORON DIFFUSION IN THE NEAR-SURFACE REGION OF SILICON SUBSTRATE

    The mechanism of boron-enhanced diffusion from a thin boron layer deposited on the surface in the case of silicon crystal doping is proposed and investigated. It was supposed that lattice contraction occurs in the vicinity of the surface due to the difference between the atomic radii of boron and silicon. This lattice contraction provides a stress-mediated diffusion of silicon self-interstitials from the near-surface region to the bulk of a semiconductor. Due to the stress-mediated diffusion, the near-surface region is depleted of silicon self-interstitials, and simultaneous oversaturation of this species occurs in the bulk. In this way, a strong nonuniform distribution of silicon self-interstitials in the vicinity of the surface is formed without regard to the large migration length of this species. The oversaturation of the bulk of a semiconductor with nonequilibrium self-interstitials allows one to explain the boron-enhanced diffusion of impurity atoms. The strong nonuniform distribution of these point defects also results in a specific form of boron concentration profile in the vicinity of the surface. Good agreement of the calculated boron profile with the experimental data for the entire doped region was obtained within the limit of the proposed model.

  • articleNo Access

    Recent developments in the coordination chemistry of porphyrin complexes containing non-metallic and semi-metallic elements

    Recent advances in the chemistry of main group porphyrin complexes are surveyed. New, unprecedented structural types for porphyrin complexes which have been revealed from the recent reports of boron and tellurium porphyrins are described. Advances in the preparation and reactivity of Group 14 (silicon and tin) and Group 15 porphyrin complexes are discussed. A systematic variation in the out-of-plane distortion (ruffling) of light element Group 14 and 15 porphyrin complexes has become apparent now that a significant number of structurally characterized examples are at hand.

  • articleNo Access

    Synthesis of a boronic ester-appended bismuth(III) porphyrin as a potential alpha-particle bi-emitter

    As 213Bi, a spontaneous alpha-emitting radioisotope, and 10B, a neutron-activated source of alpha particles, have been found to be potential tools in the treatment of cancer patients, a novel bismuth porphyrin, bearing both boron atoms and a strap with a hanging carboxylic group, was synthesized.

  • articleNo Access

    Porphyrins with metal, metalloid or phosphorus atoms directly bonded to the carbon periphery

    Organometallic porphyrins with a metal, metalloid or phosphorus fragment directly attached to their carbon framework emerged for the first time in 1976, and these macrocycles have been intensively investigated in the past decade. The present review summarises for the first time all reported examples as well as applications of these systems.

  • articleNo Access

    Some observations regarding the behavior of boron subphthalocyanines in polar aprotic solvents

    In this paper, we describe some observations from the attempted reaction of Br-BsubPc with phenol in DMF and DMAc. During these efforts, we found that Br-BsubPc reacts with the respective solvents to produce axially substituted formate-BsubPc and acetate-BsubPc. When no phenol is present the reaction proceeds to completion in a relatively short period of time. However, when phenol was present in DMF the reaction produced a mixture of formate-BsubPc, phenoxy-BsubPc, and HO-BsubPc. Similar results were found for the less-reactive Cl-BsubPc and MsO-BsubPc. Aside from these observations, it was found that simple heating in wet acetone of Br-BsubPc quantitatively produced HO-BsubPc after a facile workup. This method of producing HO-BsubPc removes the high temperatures, long reaction times, and harmful chemicals required in other synthetic methods. These results are relevant to anyone considering the reaction of BsubPcs in polar aprotic solvents.

  • articleNo Access

    Deep-cavity subporphyrazines with extended π-perimeters

    Unprecedentedly large subporphyrazines (SubPz) with dibenzoquinoxalino-fusion and peripheral phenyl substitution were prepared by the cyclization of perfluorated or non-fluorous polyphenyl-substituted quinoxaline dinitriles and characterized by spectroscopic techniques. The compounds suitability to act as photosensitizers was explored by wavelength-specific induction of singlet oxygen luminescence and was shown to be excellent. Determination of 1O2-quantum yields suggests that fluorine substitution enhances the photosensitization efficiencies of the SubPz. On the other hand, cyclic voltammetry reveals an increase of irreversible reductive processes in case of the fluorinated SubPz.

  • articleNo Access

    Synthesis of novel dimeric subphthalocyanines via azide-alkyne Huisgen 1,3-dipolar cycloaddition and palladiumcatalyzed Glaser–Hay coupling reactions

    In this study, the monomeric subphthalocyanines bearing azido (2) and terminal ethynyl (3) groups were synthesized. These subphthalocyanines were converted to their dimeric derivatives using azide-alkyne Huisgen cycloaddition and palladium-catalyzed Glaser–Hay coupling reactions subphthalocyanine (4) and (5), respectively. The novel subphthalocyanines were fully characterized by elemental analysis and general spectroscopic methods such as MALDI-TOF mass, FT-IR, UV-vis and 1H-NMR. All synthesized subphthalocyanines showed quite good solubility in the most of common organic solvents. The fluorescence measurements were conducted for these subphthalocyanines to estimate their fluorescence quantum yields. The singlet oxygen generation abilities were also examined to investigate their photosensitizer properties.

  • articleFree Access

    Peripherally mixed halogenated boron subphthalocyanines

    The goal of this study was to develop mixtures of peripherally halogenated boron subphthalocyanines (BsubPcs) to explore these macrocycles as mixed alloys for applications within the organic electronic space. These halogenated BsubPc mixtures were synthesized by reacting mixtures of commercially available phthalonitriles, namely 4,5-dichlorophthalonitrile (Cl2-pn), 4,5-difluorophthalonitrile (F2-pn), tetrachlorophthalonitrile (Cl4-pn), and tetrafluorophthalonitrile (F4-pn), with boron trichloride (BCl3) to achieve mixed halogenation upon formation of the BsubPcs. More specifically, as named, Cl2-pn + F2-pn and Cl4-pn + F4-pn mixtures were used to form Cl-Cl2nF2mBsubPc and Cl-Cl4nF4mBsubPc, respectively. To establish a firm synthetic methodology, the reaction kinetics of forming the BsubPc mixtures from their respective phthalonitrile mixtures were compared to the kinetics of the standard procedures forming the individual BsubPcs, for example, Cl-Cl12BsubPc from Cl4-pn. As we use BCl3 to form the BsubPcs, the axial bond is in general chloride, but we observed again random fluoride axial exchange, and therefore moved to the second step to have complete axial fluorination. Crude mixed halogenated BsubPcs were sublimed at high purities to enable physical characterization, including a study of UV-Vis absorption spectra differentiation, and cyclic (CV) and differential pulse voltammograms (DPV) electrochemical differentiation. We also did density functional theory (DFT) calculations for points of physical properties comparison. The comparison points are together with fully peripherally chlorinated ClnBsubPcs and fluorinated FnBsubPcs. Given the outcomes, we foresee in future studies the ability to tune different ratios of peripherally halogenated BsubPc mixtures via synthetic tools, to enable tuning of the HOMO LUMO energy levels, which could consequently tune their application and performance in organic electronics.