WorldWideScience

Sample records for c-si bond formations

  1. Sequential C-Si Bond Formations from Diphenylsilane: Application to Silanediol Peptide Isostere Precursors

    DEFF Research Database (Denmark)

    Nielsen, Lone; Skrydstrup, Troels

    2008-01-01

    and the first new carbon-silicon bond. The next step is the reduction of this hydridosilane with lithium metal providing a silyl lithium reagent, which undergoes a highly diastereoselective addition to an optically active tert-butanesulfinimine, thus generating the second C-Si bond. This method allows......-step assembly of the carbon-silicon backbone of a silane-containing dipeptide fragment. The synthetic scheme is comprised of an alkene hydrosilylation step with the simple precursor, diphenylsilane, using either a radical initiator or RhCl(PPh3)3, Wilkinson's catalyst, for the creation of a hydridosilane...

  2. SiC-Si interfacial thermal and mechanical properties of reaction bonded SiC/Si ceramic composites

    Science.gov (United States)

    Hsu, Chun-Yen; Deng, Fei; Karandikar, Prashant; Ni, Chaoying

    Reaction bonded SiC/Si (RBSC) ceramic composites are broadly utilized in military, semiconductor and aerospace industries. RBSC affords advanced specific stiffness, hardness and thermal. Interface is a key region that has to be considered when working with any composites. Both thermal and mechanical behaviors of the RBSC are highly dependent on the SiC-Si interface. The SiC-Si interface had been found to act as a thermal barrier in restricting heat transferring at room temperature and to govern the energy absorption ability of the RBSC. However, up to present, the role of the SiC-Si interface to transport heat at higher temperatures and the interfacial properties in the nanoscale have not been established. This study focuses on these critically important subjects to explore scientific phenomena and underlying mechanisms. The RBSC thermal conductivity with volume percentages of SiC at 80 and 90 vol% was measured up to 1,200 °C, and was found to decrease for both samples with increasing environmental temperature. The RBSC with 90 vol% SiC has a higher thermal conductivity than that of the 80 vol%; however, is still significantly lower than that of the SiC. The interfacial thermal barrier effect was found to decrease at higher temperatures close 1200 °C. A custom-made in-situ tensile testing device which can be accommodated inside a ZEISS Auriga 60 FIB/SEM has been setup successfully. The SiC-Si interfacial bonding strength was measured at 98 MPa. The observation and analysis of crack propagation along the SiC-Si interface was achieved with in-situ TEM.

  3. Raman inspection for the annealing induced evolution of sp{sup 2} and sp{sup 3} bonding behavior in sandwiched Si/C/Si multilayer

    Energy Technology Data Exchange (ETDEWEB)

    Chung, C.K. [Department of Mechanical Engineering, Center for Micro/Nano Science and Technology, National Cheng Kung University, Tainan, Taiwan 701 (China)], E-mail: ckchung@mail.ncku.edu.tw; Lai, C.W.; Peng, C.C.; Wu, B.H. [Department of Mechanical Engineering, Center for Micro/Nano Science and Technology, National Cheng Kung University, Tainan, Taiwan 701 (China)

    2008-12-01

    The effect of annealing on the sandwiched Si/C/Si multilayer on a Si(100) substrate using ion beam sputtering (IBS) system under ultra-high vacuum (UHV) was investigated. Carbon layer thickness was fixed at 100 nm and a-Si ranged from 10 nm to 25 nm. Rapid thermal annealing was performed to investigate the evolution of sp{sup 2}-sp{sup 3} bonding at annealing temperature from room temperature (RT) to 750 deg. C and annealing time from 0.5 to 2 min. Raman spectroscopy was utilized to characterize bonding behavior of Si/C/Si multilayers for the variation of graphite peak (G-peak), disorder-induced peak (D-peak) of carbon film at specific wavenumbers shift. The higher the integrated intensity ratio (I{sub D}/I{sub G}), the more the sp{sup 2} bonds is. From experimental results, I{sub D}/I{sub G} ratio increases with annealing temperature from RT to 750 deg. C due to graphitization effect for the increased sp{sup 2} bonds. However, I{sub D}/I{sub G} ratio reduces a little with annealing time from 0.5 to 2 min. It implies that a little increase of sp{sup 3} bonds of carbon, which is primarily from the sp{sup 3} Si-C bonds, can be an index of the formation of SiC. Comparing the effect of both annealing temperature and time on the evolution of sp{sup 2}-sp{sup 3} bonds, the annealing temperature dominates more on the sp{sup 2}-sp{sup 3} evolution of a-Si/C/a-Si on the Si(100) under rapid thermal annealing than the annealing time. Also, AES depth profile was used to examine the interdiffusion and reaction between a-Si and C for SiC formation and had a consistent result with Raman.

  4. Thickness effect on the formation of SiC nanoparticles in sandwiched Si/C/Si and C/Si multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Chung, C.K., E-mail: ckchung@mail.ncku.edu.t [Department of Mechanical Engineering, Center for Micro/Nano Science and Technology, National Cheng Kung University, Tainan, 701, Taiwan (China); Wu, B.H.; Chen, T.S.; Peng, C.C.; Lai, C.W. [Department of Mechanical Engineering, Center for Micro/Nano Science and Technology, National Cheng Kung University, Tainan, 701, Taiwan (China)

    2009-08-31

    The effect of carbon (C) and amorphous silicon (a-Si) thicknesses on the formation of SiC nanoparticles (np-SiC) in sandwiched Si/C/Si and C/Si multilayers on Si(100) substrates were investigated using ultra-high-vacuum ion beam sputtering system and vacuum thermal annealing at 500, 700, 900 {sup o}C for 1.0 h. Three-layer a-Si/C/a-Si structures with thicknesses of 50/200/50 nm and 75/150/75 nm and a two-layer C/a-Si structure of 200/50 nm were examined in this study. The size and density of np-SiC were strongly influenced by the annealing temperature, a-Si thickness and layer number. Many np-SiC appeared at 900 {sup o}C at a density order about 10{sup 8} cm{sup -2} in both three-layer structures while no particles formed in the two-layer structure. The thick a-Si structure (75/150/75 nm) produces a particle density approximately 1.8 times higher than thin structure (50/200/50 nm). This implies that thick a-Si structure had a lower activation energy of SiC formation compared to the thin a-Si structure. Few particles were found at 700 {sup o}C and no particles at 500 {sup o}C in both three-layer structures. The np-SiC formation is a thermally activated reaction. The higher temperature leads to higher particle density. A mechanism of np-SiC formation in thermodynamic and kinetic viewpoints is proposed.

  5. Microstructural investigation of Si-ion-irradiated single crystal 3C-SiC and SA-Tyrannohex SiC fiber-bonded composite at high temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Ho, Chun-Yu [Institute of Nuclear Engineering and Science, National Tsing-Hua University, Hsinchu 30013, Taiwan (China); Tsai, Shuo-Cheng [Department of Engineering and System Science, National Tsing-Hua University, Hsinchu 30013, Taiwan (China); Lin, Hua-Tay [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Chen, Fu-Rong [Department of Engineering and System Science, National Tsing-Hua University, Hsinchu 30013, Taiwan (China); Kai, Ji-Jung, E-mail: ceer0001@gmail.com [Institute of Nuclear Engineering and Science, National Tsing-Hua University, Hsinchu 30013, Taiwan (China); Department of Engineering and System Science, National Tsing-Hua University, Hsinchu 30013, Taiwan (China)

    2013-11-15

    Silicon carbides (SiCs) are considered as one of the promising candidates for structural and core materials used in fusion reactor and high temperature gas-cooled reactor (HTGR) due to its high thermal stability, and good resistance to irradiation and chemical attack. Single crystal 3C-SiC with less intrinsic defects was used to precisely characterize the radiation-induced defects in 3C-SiC. In addition, there are limited discussions related to radiation effect of SA-Tyrannohex fiber-bonded composite at high temperatures. Therefore, in this study, single crystal 3C-SiC thin film and SA-Tyrannohex SiC fiber-bonded composite were irradiated at 1000–1350 °C with 7 MeV Si{sup 3+} ion to simulate the neutron irradiation in reactors. The microstructure of the irradiated SiC was examined by using high resolution transmission electron microscope (HRTEM). In irradiated single crystal 3C-SiC, high resolution images showed that the planar defects were extrinsic stacking faulted loop with changing atomic sequences and intrinsic stacking faulted loop, i.e. vacancy loop. In addition, dislocation loops, voids, and edge dislocations in SA-Tyrannohex SiC fiber-bonded composite after irradiation were investigated. Besides, larger voids (with diameter 10–40 nm) formed in alumina with preferred orientation after irradiation perhaps resulting in degradation of strength of the SA-Tyrannohex SiC fiber-bonded composite.

  6. Formation of a Positive Fixed Charge at c -Si (111 )/a -Si3N3.5:H Interfaces

    Science.gov (United States)

    Hintzsche, L. E.; Fang, C. M.; Marsman, M.; Lamers, M. W. P. E.; Weeber, A. W.; Kresse, G.

    2015-06-01

    Modern electronic devices are unthinkable without the well-controlled formation of interfaces at heterostructures. These structures often involve at least one amorphous material. Modeling such interfaces poses a significant challenge, since a meaningful result can be expected only by using huge models or by drawing from many statistically independent samples. Here we report on the results of high-throughput calculations for interfaces between crystalline silicon (c -Si ) and amorphous silicon nitride (a -Si3N3.5:H ), which are omnipresent in commercially available solar cells. The findings reconcile only partly understood key features. At the interface, threefold-coordinated Si atoms are present. These are caused by the structural mismatch between the amorphous and crystalline parts. The local Fermi level of undoped c -Si lies well below that of a -Si N :H . To align the Fermi levels in the device, charge is transferred from the a -Si N :H part to the c -Si part resulting in an abundance of positively charged, threefold-coordinated Si atoms at the interface. This explains the existence of a positive, fixed charge at the interface that repels holes.

  7. Emitter formation using laser doping technique on n- and p-type c-Si substrates

    Science.gov (United States)

    López, G.; Ortega, P.; Colina, M.; Voz, C.; Martín, I.; Morales-Vilches, A.; Orpella, A.; Alcubilla, R.

    2015-05-01

    In this work laser doping technique is used to create highly-doped regions defined in a point-like structure to form n+/p and p+/n junctions applying a pulsed Nd-YAG 1064 nm laser in the nanosecond regime. In particular, phosphorous-doped silicon carbide stacks (a-SiCx/a-Si:H (n-type)) deposited by Plasma Enhanced Chemical Vapor Deposition (PECVD) and aluminum oxide (Al2O3) layers deposited by atomic layer deposition (ALD) on 2 ± 0.5 Ω cm p- and n-type FZ c-Si substrates respectively are used as dopant sources. Laser power and number of pulses per spot are explored to obtain the optimal electrical behavior of the formed junctions. To assess the quality of the p+ and n+ regions, the junctions are electrically contacted and characterized by means of dark J-V measurements. Additionally, a diluted HF treatment previous to front metallization has been explored in order to know its impact on the junction quality. The results show that fine tuning of the energy pulse is critical while the number of pulses has minor effect. In general the different HF treatments have no impact in the diode electrical behavior except for an increase of the leakage current in n+/p junctions. The high electrical quality of the junctions makes laser doping, using dielectric layers as dopant source, suitable for solar cell applications. Particularly, a potential open circuit voltage of 0.64 V (1 sun) is expected for a finished solar cell.

  8. Comparison of tetrel bonds in neutral and protonated complexes of pyridineTF3 and furanTF3 (T = C, Si, and Ge) with NH3.

    Science.gov (United States)

    Liu, Mingxiu; Li, Qingzhong; Scheiner, Steve

    2017-02-15

    Ab initio calculations have been performed for the complexes H(+)-PyTX3NH3 and H(+)-furanTF3NH3 (T = C, Si, and Ge; X = F and Cl) with focus on geometries, energies, orbital interactions, and electron densities to study the influence of protonation on the strength of tetrel bonding. The primary interaction mode between α/β-furanCF3/p-PyCF3 and NH3 changes from an FH hydrogen bond to a CN tetrel bond as a result of protonation. Importantly, the protonation has a prominent enhancing effect on the strength of tetrel bonding with an increase in binding energy from 14 to 30 kcal mol(-1). The tetrel bonding becomes stronger in the order H(+)-p-PySiF3NH3 < H(+)-m-PySiF3NH3 < H(+)-o-PySiF3NH3, showing a reverse trend from that of the neutral analogues. In addition, there is competition between the tetrel and hydrogen bonds in the protonated complexes, in which the hydrogen bond is favored in the complexes of H(+)-p-PyCF3 but the tetrel bond is preferred in the complexes of H(+)-p-PyTX3 (T = Si, Ge; X = F, Cl) and H(+)-o/m-PySiF3.

  9. Tetrel bond of pseudohalide anions with XH3F (X = C, Si, Ge, and Sn) and its role in SN2 reaction

    Science.gov (United States)

    Liu, Mingxiu; Li, Qingzhong; Cheng, Jianbo; Li, Wenzuo; Li, Hai-Bei

    2016-12-01

    The complexes of XH3F⋯ N3-/OCN-/SCN- (X = C, Si, Ge, and Sn) have been investigated at the MP2/aug-cc-pVTZ(PP) level. The σ-hole of X atom in XH3F acts as a Lewis acid forming a tetrel bond with pseudohalide anions. Interaction energies of these complexes vary from -8 to -50 kcal/mol, mainly depending on the nature of X and pseudohalide anions. Charge transfer from N/O/S lone pair to X-F and X-H σ* orbitals results in the stabilization of these complexes, and the former orbital interaction is responsible for the large elongation of X-F bond length and the remarkable red shift of its stretch vibration. The tetrel bond in the complexes of XH3F (X = Si, Ge, and Sn) exhibits a significant degree of covalency with XH3F distorted significantly in these complexes. A breakdown of the individual forces involved attributes the stability of the interaction to mainly electrostatic energy, with a relatively large contribution from polarization. The transition state structures that connect the two minima for CH3Br⋯ N3-complexhave been localized and characterized. The energetic, geometrical, and topological parameters of the complexes were analyzed in the different stages of the SN2 reaction N3- + CH3Br → Br- + CH3N3.

  10. The formation of the positive, fixed charge at c-Si(111)/a-Si$_3$N$_{3.5}$:H interfaces

    CERN Document Server

    Hintzsche, L E; Marsman, M; Lamers, M W P E; Weeber, A W; Kresse, G

    2015-01-01

    Modern electronic devices are unthinkable without the well-controlled formation of interfaces at heterostructures. These often involve at least one amorphous material. Modeling such interfaces poses a significant challenge, since a meaningful result can only be expected by using huge models or by drawing from many statistically independent samples. Here we report on the results of high throughput calculations for interfaces between crystalline silicon (c-Si) and amorphous silicon nitride (a-Si$_3$N$_{3.5}$:H), which are omnipresent in commercially available solar cells. The findings reconcile only partly understood key features. At the interface, threefold coordinated Si atoms are present. These are caused by the structural mismatch between the amorphous and crystalline part. The local Fermi level of undoped c-Si lies well below that of a-SiN:H. To align the Fermi levels in the device, charge is transferred from the a-SiN:H part to the c-Si part resulting in an abundance of positively charged, threefold coord...

  11. Structural characteristics and formation mechanisms of crack-free multilayer TaC/SiC coatings on carbon-carbon composites

    Institute of Scientific and Technical Information of China (English)

    LI Guo-dong; XIONG Xiang; HUANG Bai-yun; HUANG Ke-long

    2008-01-01

    In order to improve high temperature (over 2 273 K) ablation resistance, TaC and TaC/SiC composite coatings were deposited on carbon-carbon composites by CVD method utilizing reactive TaCl5-C3H6-H2-Ar and TaCl5-C3H6-CH3SiCl3-H2-Ar systems respectively. The structure and morphology of these coatings were analyzed by XRD and SEM. The results show that the double carbide coatings have good chemical compatibility during preparation. Two distinctive composition gradients are developed and used to produce multilayer TaC/SiC coatings with low internal stress, free crack and good resistant to thermal shock. A transition layer consisting of either C-TaC or C-SiC formed between the coating and the C/C matrix can reduce the residual stress effectively. The processing parameters were optimized and the possible growth mechanisms for these coatings were proposed. A designing methodology to prepare high performance multilayer TaC/SiC composite coatings was developed.

  12. Vacancy effects on the formation of He and Kr cavities in 3C-SiC irradiated and annealed at elevated temperatures

    Science.gov (United States)

    Zang, Hang; Jiang, Weilin; Liu, Wenbo; Devaraj, Arun; Edwards, Danny J.; Henager, Charles H.; Kurtz, Richard J.; Li, Tao; He, Chaohui; Yun, Di; Wang, Zhiguang

    2016-12-01

    Polycrystalline 3C-SiC was sequentially irradiated at 400 and 750 °C with 120 keV He2+ and 4 MeV Kr15+ ions to 1017 and 4 × 1016 cm-2, respectively. The Kr15+ ions penetrated the entire depth region of the He2+ ion implantation. Three areas of He2+, Kr15+ and He2+ + Kr15+ ion implanted SiC were created through masked overlapping irradiation. The sample was subsequently annealed at 1600 °C in vacuum and characterized using cross-sectional transmission electron microscopy and energy-dispersive X-ray spectroscopy. Compared to the He2+ ion only implanted SiC, He cavities show a smaller size and higher density in the co-implanted SiC. At 25 dpa, presence of He in the co-implanted 3C-SiC significantly promotes cavity growth; much smaller voids are formed in the Kr15+ ion only irradiated SiC at the same dose. In addition, local Kr migration and trapping at cavities occurs, but long-range Kr diffusion in SiC is not observed up to 1600 °C.

  13. Machining parameter optimization of C/SiC composites using high power picosecond laser

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Ruoheng; Li, Weinan [State Key Laboratory of Transient Optics and Photonics, Xi’an Institute of Optics and Precision Mechanics, Chinese Academy of Sciences, Xi’an, Shaanxi 10068 (China); Liu, Yongsheng, E-mail: yongshengliu@nwpu.edu.cn [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi’an, Shaannxi 710072 (China); Wang, Chunhui; Wang, Jing [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi’an, Shaannxi 710072 (China); Yang, Xiaojun [State Key Laboratory of Transient Optics and Photonics, Xi’an Institute of Optics and Precision Mechanics, Chinese Academy of Sciences, Xi’an, Shaanxi 10068 (China); Cheng, Laifei, E-mail: liuys99067@163.com [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi’an, Shaannxi 710072 (China)

    2015-03-01

    Highlights: • We found that the helical line width and the helical line spacing, machining time and the scanning speed on the surface morphology of machined holes had remarkable effects on the qualities of micro-holes such as shape and depth. • The debris consisted of C, Si and O was observed on the machined surface. The Si−C bonds of the SiC matrix transformed into Si−O bonds after machined. - Abstract: Picosecond laser is an important machining technology for high hardness materials. In this paper, high power picosecond laser was utilized to drill micro-holes in C/SiC composites, and the effects of different processing parameters including the helical line width and spacing, machining time and scanning speed were discussed. To characterize the qualities of machined holes, scanning electron microscope (SEM) was used to analyze the surface morphology, energy dispersive spectroscopy (EDS) and X-ray photoelectric spectroscopy (XPS) were employed to describe the element composition change between the untreated and laser-treated area. The experimental results indicated that all parameters mentioned above had remarkable effects on the qualities of micro-holes such as shape and depth. Additionally, the debris consisted of C, Si and O was observed on the machined surface. The Si−C bonds of the SiC matrix transformed into Si−O bonds after machined. Furthermore, the physical process responsible for the mechanism of debris formation was discussed as well.

  14. Vacancy effects on the formation of He and Kr cavities in 3C-SiC irradiated and annealed at elevated temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Zang, Hang; Jiang, Weilin; Liu, Wenbo; Devaraj, Arun; Edwards, Danny J.; Henager, Charles H.; Kurtz, Richard J.; Li, Tao; He, Chaohui; Yun, Di; Wang, Zhiguang

    2016-12-01

    Polycrystalline 3C-SiC was sequentially irradiated at 400 and 750°C with 120 keV He2+ and 4 MeV Kr15+ ions to E21 and 4E20 ions/m2 with profiles of the implanted species peaked at 450 and 1500 nm, respectively. The masked overlapping irradiation created three study areas of He2+, Kr15+ and He2+ + Kr15+ implanted SiC. The doses at the depth of the peak He concentration in He2+ and He2+ + Kr15+ implanted SiC correspond to 4 and 25 dpa. The sample was subsequently annealed at 1600°C for 3 h in vacuum and characterized using cross-sectional transmission electron microscopy and energy-dispersive x-ray spectroscopy. Compared to the He2+ implanted SiC, He cavities show a smaller size and higher density in the co-implanted SiC. At 25 dpa, He presence in the co-implanted 3C-SiC significantly promotes He cavity growth, as contrasted to the smaller voids formed without He in the Kr15+ irradiated SiC at the same dose. In addition, local Kr migration and trapping at cavities occur, but long-range Kr diffusion in SiC is not observed up to 1600°C.

  15. Effect of underlying silicon layer on microstructure and photoluminescence of rapid-thermal-annealed carbon and C/Si nanofilms

    Energy Technology Data Exchange (ETDEWEB)

    Chung, C.K., E-mail: ckchung@mail.ncku.edu.tw [Department of Mechanical Engineering, National Cheng Kung University, Tainan, Taiwan, ROC (China); Center for Micro/Nano Science and Technology, National Cheng Kung University, Tainan, Taiwan, ROC (China); Lai, C.W. [Department of Mechanical Engineering, National Cheng Kung University, Tainan, Taiwan, ROC (China); Wu, B.H. [Center for Micro/Nano Science and Technology, National Cheng Kung University, Tainan, Taiwan, ROC (China)

    2013-09-15

    Highlights: •Photoluminescence (PL) of carbon films originated from recombination of confined electron–hole pairs. •Broad PL was an interesting topic using varied methods for Si and C reaction. •Asymmetrical broad PL of two-layer Si/C and three-layer Si/C/Si was demonstrated previously. •Here, another C/Si (underlying Si layer) films have further investigated for enhancement of symmetry-like PL. •The effect and mechanism of underlying Si layer thickness on microstructure and PL evolution of two-layer C/Si was studied. -- Abstract: A composite material for broad photoluminescence (PL) from asymmetry to more symmetry-like was proposed by the formation of Si nanocrystals (nc-Si), SiC nanoparticles (np-SiC) and sp{sup 2} carbon cluster which were made from the two-layer C/Si on Si(1 0 0) using rapid-thermal-annealing at 750 °C for 1 min. The effect of underlying Si layer thickness on the microstructure and broad PL of the annealed carbon and two-layer C/Si films has been investigated. Fourier-transform-infrared-absorption spectra indicated that very weak Si–C bonding peak was observed for the annealed single-C film and the enhanced intensity occurred at two-layer C/Si films with underlying thickness of 10–25 nm. Compared to the single-C film, the two-layer C/Si film was beneficial for formation of SiC which increased with Si thickness. A more symmetry-like broad PL band around 400–700 nm was observed at the annealed C/Si films with higher Si thickness of 25 nm while the annealed C film has weak and narrow band. Also, the enhanced symmetry-like PL band was attributed to more amount of np-SiC formation at the bottom of C/Si film together with reduced C thickness which can be potentially applied into white light emission material. The detailed mechanism of broad PL was proposed in terms of microstructure evolution.

  16. Shedding light on disulfide bond formation

    DEFF Research Database (Denmark)

    Ostergaard, H; Henriksen, A; Hansen, F G;

    2001-01-01

    in the intrinsic fluorescence. Inter conversion between the two redox states could thus be followed in vitro as well as in vivo by non-invasive fluorimetric measurements. The 1.5 A crystal structure of the oxidized protein revealed a disulfide bond-induced distortion of the beta-barrel, as well as a structural...

  17. Disulphide bond formation in food protein aggregation and gelation

    NARCIS (Netherlands)

    Visschers, R.W.; Jongh, de H.H.J.

    2005-01-01

    In this short review we discuss the role of cysteine residues and cystine bridges for the functional aggregation of food proteins. We evaluate how formation and cleavage of disulphide bonds proceeds at a molecular level, and how inter- and intramolecular disulfide bonds can be detected and modified.

  18. Preparation of phosphines through C–P bond formation

    Directory of Open Access Journals (Sweden)

    Iris Wauters

    2014-05-01

    Full Text Available Phosphines are an important class of ligands in the field of metal-catalysis. This has spurred the development of new routes toward functionalized phosphines. Some of the most important C–P bond formation strategies were reviewed and organized according to the hybridization of carbon in the newly formed C–P bond.

  19. Behavior of W-SiC/SiC dual layer tiles under LHD plasma exposure

    Science.gov (United States)

    Mohrez, Waleed A.; Kishimoto, Hirotatsu; Kohno, Yutaka; Hirotaki, S.; Kohyama, Akira

    2013-11-01

    Towards the early realization of fusion power reactors, high performance first wall and plasma facing components (PFCs) are essentially required. As one of the biggest challenges for this, high heat flux component (HHFC) design and R & D has been emphasized. This report provides the high performance HHFC materials R & D status and the first plasma exposure test result from large helical device (LHD). W-SiC/SiC dual layer tiles (hereafter, W-SiC/SiC) were developed by applied NITE process. This is the realistic concept of tungsten armor with ceramic composite substrates for fusion power reactors. The dual layer tiles were fabricated and tested their survival under the LHD divertor plasma exposure (Nominally 10 MW/m2 maximum heat load for 6 s operation cycle). The microstructure evolution, including crack and pore formation, was analyzed, besides the behavior of bonding layer between tungsten and SiC/SiC was evaluated by C-scanning images of ultrasonic method and Electron probe Micro-analyzer (EPMA). Thermal analysis was conducted by finite element method, where ANSYS code release 13.0 was used.

  20. Behavior of W–SiC/SiC dual layer tiles under LHD plasma exposure

    Energy Technology Data Exchange (ETDEWEB)

    Mohrez, Waleed A., E-mail: dalywaleed@hotmail.com [Graduate School of Chemical and Materials Engineering, Muroran Institute of Technology, Muroran, Hokkaido 050-8585 (Japan); The nuclear materials authority, Cairo, Maadi (Egypt); Kishimoto, Hirotatsu; Kohno, Yutaka; Hirotaki, S. [College of Design and Manufacturing Technology, Muroran Institute of Technology, Muroran, Hokkaido 050-8585 (Japan); Kohyama, Akira [Organization of Advanced Sustainability Initiative for Energy System/Material (OASIS), Muroran Institute of Technology, Muroran, Hokkaido 050-8585 (Japan)

    2013-11-15

    Towards the early realization of fusion power reactors, high performance first wall and plasma facing components (PFCs) are essentially required. As one of the biggest challenges for this, high heat flux component (HHFC) design and R and D has been emphasized. This report provides the high performance HHFC materials R and D status and the first plasma exposure test result from large helical device (LHD). W–SiC/SiC dual layer tiles (hereafter, W–SiC/SiC) were developed by applied NITE process. This is the realistic concept of tungsten armor with ceramic composite substrates for fusion power reactors. The dual layer tiles were fabricated and tested their survival under the LHD divertor plasma exposure (Nominally 10 MW/m{sup 2} maximum heat load for 6 s operation cycle). The microstructure evolution, including crack and pore formation, was analyzed, besides the behavior of bonding layer between tungsten and SiC/SiC was evaluated by C-scanning images of ultrasonic method and Electron probe Micro-analyzer (EPMA). Thermal analysis was conducted by finite element method, where ANSYS code release 13.0 was used.

  1. Formation of Embedded Microstructures by Thermal Activated Solvent Bonding

    CERN Document Server

    Ng, S H; Wang, Z F; Lu, A C W; Rodriguez, I; De Rooij, N

    2008-01-01

    We present a thermal activated solvent bonding technique for the formation of embedded microstrucutres in polymer. It is based on the temperature dependent solubility of polymer in a liquid that is not a solvent at room temperature. With thermal activation, the liquid is transformed into a solvent of the polymer, creating a bonding capability through segmental or chain interdiffusion at the bonding interface. The technique has advantages over the more commonly used thermal bonding due to its much lower operation temperature (30 degrees C lower than the material's Tg), lower load, as well as shorter time. Lap shear test indicated bonding shear strength of up to 2.9 MPa. Leak test based on the bubble emission technique showed that the bonded microfluidic device can withstand at least 6 bars (87 psi) of internal pressure (gauge) in the microchannel. This technique can be applied to other systems of polymer and solvent.

  2. Formation of Au-Silane Bonds

    Directory of Open Access Journals (Sweden)

    Shira Yochelis

    2012-01-01

    Full Text Available Many intriguing aspects of molecular electronics are attributed to organic-inorganic interactions, yet charge transfer through such junctions still requires fundamental study. Recently, there is a growing interest in anchoring groups, which considered dominating the charge transport. With this respect, we choose to investigate self-assembly of disilane molecules sandwiched between gold surface and gold nanoparticles. These assemblies are found to exhibit covalent bonds not only between the anchoring Si groups and the gold surfaces but also in plane crosslinks that increase the monolayer stability. Finally, using scanning tunneling spectroscopy we demonstrate that the disilane molecules provide strong electrical coupling between the Au nanoparticles and a superconductor substrate.

  3. Interface formation and strength of Be/DSCu diffusion bonding

    Science.gov (United States)

    Makino, T.; Iwadachi, T.

    1998-10-01

    Beryllium has been proposed to be used as a plasma facing material of the first wall for ITER, and will be bonded by HIP process to Dispersion Strengthened Copper (DSCu). Be/DSCu diffusion bonding tests in the range of temperature from 600°C to 850°C by hot pressing techniques have been conducted to identify the effect of bonding temperature and time on interface formation and joint strength. The bonded Be/DSCu joints were evaluated by microstructural analysis of the interface and shear strength tests at room temperature. The diffusion layer of directly bonded Be/DSCu joints and the joints with Be-Cu interlayer consisted of Be 2Cu( δ) phase on the Be side and Cu + BeCu( γ) phase on the DSCu side. Cu + BeCu( γ) phase generated remarkably fast at 800-850°C. The thickness of the diffusion layer was linear to a square root of bonding time. Shear strength of the joints bonded at 650-750°C are all around 200 MPa. Shear strength is dominated by the formation of the layer of Be 2Cu( δ) phase on the Be side.

  4. Disulfide bond formation in prokaryotes: history, diversity and design.

    Science.gov (United States)

    Hatahet, Feras; Boyd, Dana; Beckwith, Jon

    2014-08-01

    The formation of structural disulfide bonds is essential for the function and stability of a great number of proteins, particularly those that are secreted. There exists a variety of dedicated cellular catalysts and pathways from archaea to humans that ensure the formation of native disulfide bonds. In this review we describe the initial discoveries of these pathways and report progress in recent years in our understanding of the diversity of these pathways in prokaryotes, including those newly discovered in some archaea. We will also discuss the various successful efforts to achieve laboratory-based evolution and design of synthetic disulfide bond formation machineries in the bacterium Escherichia coli. These latter studies have also led to new more general insights into the redox environment of the cytoplasm and bacterial cell envelope. This article is part of a Special Issue entitled: Thiol-Based Redox Processes.

  5. Machining parameter optimization of C/SiC composites using high power picosecond laser

    Science.gov (United States)

    Zhang, Ruoheng; Li, Weinan; Liu, Yongsheng; Wang, Chunhui; Wang, Jing; Yang, Xiaojun; Cheng, Laifei

    2015-03-01

    Picosecond laser is an important machining technology for high hardness materials. In this paper, high power picosecond laser was utilized to drill micro-holes in C/SiC composites, and the effects of different processing parameters including the helical line width and spacing, machining time and scanning speed were discussed. To characterize the qualities of machined holes, scanning electron microscope (SEM) was used to analyze the surface morphology, energy dispersive spectroscopy (EDS) and X-ray photoelectric spectroscopy (XPS) were employed to describe the element composition change between the untreated and laser-treated area. The experimental results indicated that all parameters mentioned above had remarkable effects on the qualities of micro-holes such as shape and depth. Additionally, the debris consisted of C, Si and O was observed on the machined surface. The Sisbnd C bonds of the SiC matrix transformed into Sisbnd O bonds after machined. Furthermore, the physical process responsible for the mechanism of debris formation was discussed as well.

  6. Hydrophobic interactions and hydrogen bonds in \\beta-sheet formation

    CERN Document Server

    Narayanan, Chitra

    2013-01-01

    In this study, we investigate interactions of extended conformations of homodimeric peptides made of small (glycine or alanine) and large hydrophobic (valine or leucine) sidechains using all-atom molecular dynamics simulations to decipher driving forces for \\beta-sheet formation. We make use of a periodic boundary condition setup in which individual peptides are infinitely long and stretched. Dimers adopt \\beta-sheet conformations at short interpeptide distances (\\xi ~ 0.5 nm) and at intermediate distances (~ 0.8 nm), valine and leucine homodimers assume cross-\\beta-like conformations with side chains interpenetrating each other. These two states are identified as minima in the Potential of Mean Force (PMF). While the number of interpeptide hydrogen bonds increases with decreasing interpeptide distance, the total hydrogen bond number in the system does not change significantly, suggesting that formation of \\beta-sheet structures from extended conformations is not driven by hydrogen bonds. This is supported by...

  7. Investigations of Reactive Carbohydrates in Glycosidic Bond Formation and Degradation

    DEFF Research Database (Denmark)

    Heuckendorff, Mads

    The overall objective of the research described in this thesis was to explore the field of glycosidic bond formation and degradation. In more detail, the objective was to do further research in the field of highly reactive glycosyl donors. New ways of making highly reactive donors were explored...

  8. Development and Performance Evaluations of HfO2-Si and Rare Earth-Si Based Environmental Barrier Bond Coat Systems for SiC/SiC Ceramic Matrix Composites

    Science.gov (United States)

    Zhu, Dongming

    2014-01-01

    Ceramic environmental barrier coatings (EBC) and SiCSiC ceramic matrix composites (CMCs) will play a crucial role in future aircraft propulsion systems because of their ability to significantly increase engine operating temperatures, improve component durability, reduce engine weight and cooling requirements. Advanced EBC systems for SiCSiC CMC turbine and combustor hot section components are currently being developed to meet future turbine engine emission and performance goals. One of the significant material development challenges for the high temperature CMC components is to develop prime-reliant, high strength and high temperature capable environmental barrier coating bond coat systems, since the current silicon bond coat cannot meet the advanced EBC-CMC temperature and stability requirements. In this paper, advanced NASA HfO2-Si based EBC bond coat systems for SiCSiC CMC combustor and turbine airfoil applications are investigated. The coating design approach and stability requirements are specifically emphasized, with the development and implementation focusing on Plasma Sprayed (PS) and Electron Beam-Physic Vapor Deposited (EB-PVD) coating systems and the composition optimizations. High temperature properties of the HfO2-Si based bond coat systems, including the strength, fracture toughness, creep resistance, and oxidation resistance were evaluated in the temperature range of 1200 to 1500 C. Thermal gradient heat flux low cycle fatigue and furnace cyclic oxidation durability tests were also performed at temperatures up to 1500 C. The coating strength improvements, degradation and failure modes of the environmental barrier coating bond coat systems on SiCSiC CMCs tested in simulated stress-environment interactions are briefly discussed and supported by modeling. The performance enhancements of the HfO2-Si bond coat systems with rare earth element dopants and rare earth-silicon based bond coats are also highlighted. The advanced bond coat systems, when

  9. Sulfur(IV)-mediated carbon-carbon bond formation

    OpenAIRE

    Dean, William Michael

    2016-01-01

    This thesis details the development of methods for and application of the synthesis of carbon carbon bonds using organic sulfur(IV) chemistry. More specifically, the formation of C(sp2) C(sp3) and C(sp3) C(sp3) bonds is explored in detail. The necessity for this research stems from a correlation between a high proportion of sp3 centres in drug candidates, and their success in clinical trials. By facilitating the synthesis of drug candidates with higher fractions of sp3 hybridised carbon atoms...

  10. Structure and reactivity of bis(silyl) dihydride complexes (PMe(3))(3)Ru(SiR(3))(2)(H)(2): model compounds and real intermediates in a dehydrogenative C-Si bond forming reaction.

    Science.gov (United States)

    Dioumaev, Vladimir K; Yoo, Bok R; Procopio, Leo J; Carroll, Patrick J; Berry, Donald H

    2003-07-23

    . The structure of 4b was determined crystallographically and exhibits a tetrahedral P(3)Si environment around the metal with the three hydrides adjacent to silicon and capping the P(2)Si faces. Although strong Si.HRu interactions are not indicated in the structure or by IR, the HSi distances (2.00(4) - 2.09(4) A) and average coupling constant (J(SiH) = 25 Hz) suggest some degree of nonclassical SiH bonding in the RuH(3)Si moiety. The least hindered complex, 3a, reacts with carbon monoxide principally via an H(2) elimination pathway to yield mer-(PMe(3))(3)(CO)Ru(SiH(2)Ph)(2), with SiH elimination as a minor process. However, only SiH elimination and formation of (PMe(3))(3)(CO)Ru(SiR(3))H is observed for 3b-d. The most hindered bis(silyl) complex, 3d, is extremely labile and even in the absence of CO undergoes SiH reductive elimination to generate the 16e(-) species 1 (DeltaH(SiH)(-)(elim) = 11.0 +/- 0.6 kcal x mol(-)(1) and DeltaS(SiH)(-)(elim) = 40 +/- 2 cal x mol(-)(1) x K(-)(1); Delta = 9.2 +/- 0.8 kcal x mol(-)(1) and Delta = 9 +/- 3 cal x mol(-)(1).K(-)(1)). The minimum barrier for the H(2) reductive elimination can be estimated, and is higher than that for silane elimination at temperatures above ca. -50 degrees C. The thermodynamic preferences for oxidative additions to 1 are dominated by entropy contributions and steric effects. Addition of H(2) is by far most favorable, whereas the relative aptitudes for intramolecular silyl CH activation and intermolecular SiH addition are strongly dependent on temperature (DeltaH(SiH)(-)(add) = -11.0 +/- 0.6 kcal x mol(-)(1) and DeltaS(SiH)(-)(add) = -40 +/- 2 cal.mol(-)(1) x K(-)(1); DeltaH(beta)(-CH)(-)(add) = -2.7 +/- 0.3 kcal x mol(-)(1) and DeltaS(beta)(-CH)(-)(add) = -6 +/- 1 cal x mol(-)(1) x K(-)(1)). Kinetic preferences for oxidative additions to 1 - intermolecular SiH and intramolecular CH - have been also quantified: Delta = -1.8 +/- 0.8 kcal x mol(-)(1) and Delta = -31 +/- 3 cal x mol(-)(1).K(-)(1); Delta = 16

  11. Effect of different parameters on machining of SiC/SiC composites via pico-second laser

    Energy Technology Data Exchange (ETDEWEB)

    Li, Weinan; Zhang, Ruoheng [State Key Laboratory of Transient Optics and Photonics, Xi’an Institute of Optics and Precision Mechanics, Chinese Academy of Sciences, Xi’an, Shaanxi 10068 (China); Liu, Yongsheng, E-mail: yongshengliu@nwpu.edu.cn [Science and technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi’an, Shaanxi 710072 (China); Wang, Chunhui; Wang, Jing [Science and technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi’an, Shaanxi 710072 (China); Yang, Xiaojun [State Key Laboratory of Transient Optics and Photonics, Xi’an Institute of Optics and Precision Mechanics, Chinese Academy of Sciences, Xi’an, Shaanxi 10068 (China); Cheng, Laifei [Science and technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi’an, Shaanxi 710072 (China)

    2016-02-28

    Graphical abstract: - Highlights: • The highlights of the manuscript include the following two aspects. • First, we found that the different machining modes (helical line scanning and single ring line scanning) and processing power of machining have remarkable effect on the surface morphology of the machined area, such as the shape, depth and the formation of different surface structures. • Secondly, we investigated that the debris consisted of C, Si and O was observed on the machined surface. • Some of the Si–C bonds of the SiC matrix and fibers would be transformed into Si–O bonds after machined, depending on the processing power. - Abstract: Pico-second laser plays an important role in modern machining technology, especially in machining high hardness materials. In this article, pico-second laser was utilized for irradiation on SiC/SiC composites, and effects of different processing parameters including the machining modes and laser power were discussed in detail. The results indicated that the machining modes and laser power had great effect on machining of SiC/SiC composites. Different types of surface morphology and structure were observed under helical line scanning and single ring line scanning, and the analysis of their formulation was discussed in detail. It was believed that the machining modes would be responsible to the different shapes of machining results at the same parameters. The processing power shall also influence the surface morphology and quality of machining results. In micro-hole drilling process, large amount of debris and fragments were observed within the micro-holes, and XPS analysis showed that there existed Si–O bonds and Si–C bonds, indicating that the oxidation during processing was incomplete. Other surface morphology, such as pores and pits were discussed as well.

  12. Irregular Characteristics of Bond Interface Formation in Ultrasonic Wire Wedge Bonding

    Institute of Scientific and Technical Information of China (English)

    Mingyu LI; Hongjun JI; Chunqing WANG; Au Tai KUNG; Han Sur BANG; Hee Seon BANG

    2006-01-01

    The mechanism of ultrasonic wire wedge bonding, one of the die/chip interconnection methods, was investigated based on the characteristics of the ultrasonic wire bonding joints. The Al-1%Si wire of 25 μm in diameter was bonded on Au/Ni/Cu pad and the joint cross-section was analyzed by scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX). The results indicated that it is irregular for the ultrasonic bond formation, non-welded at the centre but joining well at the periphery, especially at the heel and toe of the joint. Furthermore, the diffusion and/or reaction at the cross-section interface are not clear at C-zone, while there exists a strip layer microstructure at P-zone, and the composition is 78.96 at. pct Al and 14.88 at. pct Ni, close to the Al3Ni intermetallic compound. All these observations are tentatively ascribed to the plastic flow enhanced by ultrasonic vibration and repeated cold deformation driving interdiffusion between Al and Ni at bond interface.

  13. Amide-directed photoredox-catalysed C-C bond formation at unactivated sp3 C-H bonds

    Science.gov (United States)

    Chu, John C. K.; Rovis, Tomislav

    2016-11-01

    Carbon-carbon (C-C) bond formation is paramount in the synthesis of biologically relevant molecules, modern synthetic materials and commodity chemicals such as fuels and lubricants. Traditionally, the presence of a functional group is required at the site of C-C bond formation. Strategies that allow C-C bond formation at inert carbon-hydrogen (C-H) bonds enable access to molecules that would otherwise be inaccessible and the development of more efficient syntheses of complex molecules. Here we report a method for the formation of C-C bonds by directed cleavage of traditionally non-reactive C-H bonds and their subsequent coupling with readily available alkenes. Our methodology allows for amide-directed selective C-C bond formation at unactivated sp3 C-H bonds in molecules that contain many such bonds that are seemingly indistinguishable. Selectivity arises through a relayed photoredox-catalysed oxidation of a nitrogen-hydrogen bond. We anticipate that our findings will serve as a starting point for functionalization at inert C-H bonds through a strategy involving hydrogen-atom transfer.

  14. Fabrication of c-Si:H(p)/c-Si(n) Heterojunction Solar Cells with Microcrystalline Emitters

    Institute of Scientific and Technical Information of China (English)

    ZHOU Bing-Qing; LIU Feng-Zhen; ZHANG Qun-Fang; XU Ying; ZHOU Yu-Qin; LIU Jin-Long; ZHU Mei-Fang

    2006-01-01

    The p-type microcrystalline silicon (fj,c-Si) on n-type crystalline silicon (c-Si) heterojunction solar cells is fabricated by radio-frequency plasma enhanced chemical vapour deposition (rf-PECVD). The effect of the pc-Si:H p-layers on the performance of the heterojunction solar cells is investigated. Optimum μcSi:H p-layer is obtained with hydrogen dilution ratio of 99.65%, rf-power of 0.08 W/cm2, gas phase doping ratio of 0.125%, and the p-layer thickness of 15 nm. We fabricate μc-Si:H(p)/c-Si(n) heterojunction solar cells without texturing and obtained an efficiency of 13.4%. The comparisons of the solar-cell performances using different surface passivation techniques are discussed.

  15. Critical Temperature Programs for Surface Carbonization of Si(111) and Their Effects on 3C-SiC Film Growth

    Science.gov (United States)

    Giang Nguyen, Nam; Liu, Chie-Sheng; Hu, Ming-Shien; Hong, Lu-Sheng

    2013-08-01

    We have studies of the changes in the surface states of carbonized Si(111) substrates treated under various temperature programs prior to high-temperature 3C-SiC film growth in a low pressure chemical vapor deposition system using SiH4, C2H2, and H2 as reactant gases. The carbonized Si surface underwent a change in bonding from SiC to disordered graphite, together with the formation of etch pits, when heated directly from the carbonization temperature of 1343 K to the growth temperature of 1523 K under a H2 flow over a period of 5 min; this transformation deteriorated the quality of the subsequent 3C-SiC growth. In contrast, a void-free stoichiometric SiC surface was preserved when we inserted a rapid cooling step, to near room temperature, under a H2 flow of 352 sccm within a period of 15 min after shutting off the C2H2 gas flow at the end of the surface carbonization process. The sharp temperature decrease in this program sealed off the carbonized substrate surface and, thus, led to a high film quality for subsequent 3C-SiC(111) growth.

  16. SiC-SiC and C-SiC Honeycomb for Advanced Flight Structures Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The proposed project builds upon the work done in Phase I with the development of a C-SiC CMC honeycomb material that was successfully tested for mechanical...

  17. Understanding the Formation of Limited Interlamellar Bonding in Plasma Sprayed Ceramic Coatings Based on the Concept of Intrinsic Bonding Temperature

    Science.gov (United States)

    Yao, Shu-Wei; Tian, Jia-Jia; Li, Chang-Jiu; Yang, Guan-Jun; Li, Cheng-Xin

    2016-12-01

    Interlamellar bonding is an important factor controlling the mechanical, thermal and electrical properties of plasma sprayed ceramic coatings. In order to understand the formation of limited interlamellar bonding, a theoretical model is proposed based on the concept of the intrinsic bonding temperature. The numerical simulation of the interface temperature between a molten splat and underlying splats was performed for splats with uniform and non-uniform thickness, in order to reveal the conditions for the interlamellar bonding formation. The interlamellar bonding ratio was theoretically estimated based on the bonding forming conditions. The features of interlamellar bonding revealed by the simulation agree well with the experimental observations. The bonding ratio of plasma sprayed coatings is significantly influenced by the distribution of splat thickness. According to the distribution of Al2O3 splat thickness in the coating, the theoretical estimation of bonding ratio yielded a value of 0.41 for the plasma sprayed Al2O3 coating at the ambient atmosphere conditions, which is reasonably consistent with the observation value. Therefore, the limited interlamellar bonding can be reasonably explained based on the sufficient condition that the maximum interface temperature between a molten splat and underlying splats is larger than the intrinsic bonding temperature.

  18. Surface Reconstruction-Induced Coincidence Lattice Formation Between Two-Dimensionally Bonded Materials and a Three-Dimensionally Bonded Substrate

    NARCIS (Netherlands)

    Boschker, Jos E.; Momand, Jamo; Bragaglia, Valeria; Wang, Ruining; Perumal, Karthick; Giussani, Alessandro; Kooi, Bart J.; Riechert, Henning; Calarco, Raffaella

    2014-01-01

    Sb2Te3 films are used for studying the epitaxial registry between two-dimensionally bonded (2D) materials and three-dimensional bonded (3D) substrates. In contrast to the growth of 3D materials, it is found that the formation of coincidence lattices between Sb2Te3 and Si(111) depends on the geometry

  19. Concentration-dependent study of electronic and optical properties of c-Si and c-Si:H

    Energy Technology Data Exchange (ETDEWEB)

    Nunez-Gonzalez, R. [Departamento de Matematicas, Universidad de Sonora, C.P. 83000, Hermosillo, Sonora (Mexico); Posada-Amarillas, A. [Departamento de Investigacion en Fisica, Universidad de Sonora, Apdo. Postal 5-088 C.P. 83190, Hermosillo, Sonora (Mexico); Galvan, D.H.; Reyes-Serrato, A. [Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autonoma de Mexico, Ensenada, B. C. (Mexico)

    2011-07-15

    Electronic and optical properties of crystalline silicon (c-Si) and hydrogen-doped crystalline silicon (c-Si:H) were calculated using the full-potential linearized augmented plane waves (FLAPWs) method, within the density functional theory (DFT), and the supercell method to model different hydrogen concentrations. Hydrogen was introduced in both bond-centered (BC) and tetrahedral (Td) interstitial sites to find out the most favorable configuration by searching for the lowest energy structure. The Td interstitial site yields the most stable and lowest energy structure. For several hydrogen concentrations we found that the effect of interstitial hydrogen is to introduce electronic states at the silicon band gap, turning it into a metallic system. Analysis of the calculated energy-loss function of doped silicon shows the existence of a plasmon peak at low energy of the loss spectrum, and the position of this plasmon peak is highly dependent on hydrogen concentration into silicon. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Addition of Carbon–Fluorine Bonds to a Mg(I)–Mg(I) Bond: An Equivalent of Grignard Formation in Solution

    Science.gov (United States)

    2016-01-01

    Addition of the carbon–fluorine bond of a series of perfluorinated and polyfluorinated arenes across the Mg–Mg bond of a simple coordination complex proceeds rapidly in solution. The reaction results in the formation of a new carbon–magnesium bond and a new fluorine–magnesium bond and is analogous to Grignard formation in homogeneous solution. PMID:27636244

  1. Shedding light on disulfide bond formation: engineering a redox switch in green fluorescent protein

    DEFF Research Database (Denmark)

    Østergaard, H.; Henriksen, A.; Hansen, Flemming G.

    2001-01-01

    To visualize the formation of disulfide bonds in living cells, a pair of redox-active cysteines was introduced into the yellow fluorescent variant of green fluorescent protein. Formation of a disulfide bond between the two cysteines was fully reversible and resulted in a >2-fold decrease in the i......To visualize the formation of disulfide bonds in living cells, a pair of redox-active cysteines was introduced into the yellow fluorescent variant of green fluorescent protein. Formation of a disulfide bond between the two cysteines was fully reversible and resulted in a >2-fold decrease...

  2. Metastability of a-SiOx:H thin films for c-Si surface passivation

    Science.gov (United States)

    Serenelli, L.; Martini, L.; Imbimbo, L.; Asquini, R.; Menchini, F.; Izzi, M.; Tucci, M.

    2017-01-01

    The adoption of a-SiOx:H films obtained by PECVD in heterojunction solar cells is a key to further increase their efficiency, because of its transparency in the UV with respect to the commonly used a-Si:H. At the same time this layer must guarantee high surface passivation of the c-Si to be suitable in high efficiency solar cell manufacturing. On the other hand the application of amorphous materials like a-Si:H and SiNx on the cell frontside expose them to the mostly energetic part of the sun spectrum, leading to a metastability of their passivation properties. Moreover as for amorphous silicon, thermal annealing procedures are considered as valuable steps to enhance and stabilize thin film properties, when performed at opportune temperature. In this work we explored the reliability of a-SiOx:H thin film layers surface passivation on c-Si substrates under UV exposition, in combination with thermal annealing steps. Both p- and n-type doped c-Si substrates were considered. To understand the effect of UV light soaking we monitored the minority carriers lifetime and Sisbnd H and Sisbnd O bonding, by FTIR spectra, after different exposure times to light coming from a deuterium lamp, filtered to UV-A region, and focused on the sample to obtain a power density of 50 μW/cm2. We found a certain lifetime decrease after UV light soaking in both p- and n-type c-Si passivated wafers according to a a-SiOx:H/c-Si/a-SiOx:H structure. The role of a thermal annealing, which usually enhances the as-deposited SiOx passivation properties, was furthermore considered. In particular we monitored the UV light soaking effect on c-Si wafers after a-SiOx:H coating by PECVD and after a thermal annealing treatment at 300 °C for 30 min, having selected these conditions on the basis of the study of the effect due to different temperatures and durations. We correlated the lifetime evolution and the metastability effect of thermal annealing to the a-SiOx:H/c-Si interface considering the evolution

  3. Behaviors of hydrogen in C-SiC films with IR and SIMS analyses

    CERN Document Server

    Huang, N K; Xiong, Q; Liu, Y G; Wang, D Z; Lei, J R

    2002-01-01

    C-SiC films with different content of SiC were prepared with magnetron sputtering deposition followed by Ar sup + ion bombardment. Secondary ion mass spectroscopy depth profiles of hydrogen for the samples of C-SiC coated stainless steel and stainless steel substrate after H sup + ion implantation and thermal annealing show different hydrogen concentrations in C-SiC coatings and stainless steel. Infrared (IR) transmission measurement was selected to study the mechanism of hydrogen retention by C-SiC films. The vibrational spectra in the range between 400 and 3200 cm sup - sup 1 in IR transmission spectra show the Si-CH sub 3 , Si-CH sub 2 , Si-H, CH sub 2 , CH sub 3 etc. bonds, which are responsible for retaining hydrogen. Apart from the mode above, there also exist bonds related to carbon and silicon such as Si-C, C=C. The contamination of oxygen entered the film to form C=O and SiO sub 2 configurations and hydrogen contamination also formed Si-CH sub 2 mode in the films.

  4. 非晶硅/晶体硅(a-Si/c-Si)异质结%Property Investigation of a-Si/c-Si Hetero-Junction Structure

    Institute of Scientific and Technical Information of China (English)

    汪建强; 高华; 张剑; 张松; 李晨; 叶庆好; 孟凡英

    2011-01-01

    通过对非晶硅/晶体硅(a-Si/c-Si)异质结能带不连续、发射结掺杂以及界面态密度进行分析,研究它们对a-Si/c-Si异质结的界面特性,以及a-Si(N+)/c-Si(P)结构电池性能的影响.研究发现,能带不连续以及a-Si发射结高掺杂有利于实现界面复合机制由以悬挂键复合主导的复合机制向由少数载流子复合占主导的SRH(Shockly-Read-Hall)复合机制转变,有效降低界面复合速率.AFORS-HET软件模拟显示:在c-Si(P)衬底掺杂浓度为1.6×1016cm-3时,a-Si(N+)发射结掺杂浓度大于1.5×1020cm-3是获得高电池效率的必要条件;与短路电流密度相比,开路电压受a-Si/c-Si界面态密度影响更明显.%T his paper investigated the influence ot a-hi/c-bi band ottset, amorphous silicon emitter doping concentration and interface defects density on interface property of a-Si/c-Si structure. Band offset in a-Si(N+ )/c-Si(P) hetero-junction and a-Si emitter high level doping is very useful for the transformation of recombination mechanism from dangling bond to SRH (Shockly-Read-Hall). AFORS-HET simulation indicates that a-Si(N+ ) emitter doping level of over 1. 5X1020 cm~3 on c-Si(P) is an indispensable condition for achieving high efficiency. Comparing with density of short circuit current, open circuit voltage of a-Si/c-Si structure cell is much more susceptible to interface defect density.

  5. Thermo-Oxidative Degradation Of SiC/Si3N4 Composites

    Science.gov (United States)

    Baaklini, George Y.; Batt, Ramakrishna T.; Rokhlin, Stanislav I.

    1995-01-01

    Experimental study conducted on thermo-oxidative degradation of composite-material specimens made of silicon carbide fibers in matrices of reaction-bonded silicon nitride. In SiC/Si3N4 composites of study, interphase is 3-micrometers-thick carbon-rich coat on surface of each SiC fiber. Thermo-oxidative degradation of these composites involves diffusion of oxygen through pores of composites to interphases damaged by oxidation. Nondestructive tests reveal critical exposure times.

  6. Asymmetric and symmetric bolaform supra-amphiphiles: formation of imine bond influenced by aggregation.

    Science.gov (United States)

    Wang, Guangtong; Wu, Guanglu; Wang, Zhiqiang; Zhang, Xi

    2014-02-18

    A series of bolaform supra-amphilphiles with different symmetries were fabricated through dynamic benzoic imine bond formation. The pH dependence of imine formations of these supra-amphiphiles were characterazied. We found that the extent of the imine formation of these supra-amphiphies were different. The supra-amphiphiles with a poorer symmetry always exhibited a lower imine formation at a given pH. Therefore, the varied extent of imine bond formation indicate the different aggregations of these supra-amphilphiles, which are controlled by the molecular symmetry of the supra-amphiphiles.

  7. Mild Catalytic methods for Alkyl-Alkyl Bond Formation

    Energy Technology Data Exchange (ETDEWEB)

    Vicic, David A

    2009-08-10

    Overview of Research Goals and Accomplishments for the Period 07/01/06 – 06/30/07: Our overall research goal is to transform the rapidly emerging synthetic chemistry involving alkyl-alkyl cross-couplings into more of a mechanism-based field so that that new, rationally-designed catalysts can be performed under energy efficient conditions. Our specific objectives for the previous year were 1) to obtain a proper electronic description of an active catalyst for alkyl-alkyl cross-coupling reactions and 2) to determine the effect of ligand structure on the rate, scope, selectivity, and functional group compatibility of C(sp3)-C(sp3) cross-coupling catalysis. We have completed both of these initial objectives and established a firm base for further studies. The specific significant achievements of the current grant period include: 1) we have performed magnetic and computational studies on (terpyridine)NiMe, an active catalyst for alkyl-alkyl cross couplings, and have discovered that the unpaired electron resides heavily on the terpyridine ligand and that the proper electronic description of this nickel complex is a Ni(II)-methyl cation bound to a reduced terpyridine ligand; 2) we have for the first time shown that alkyl halide reduction by terpyridyl nickel catalysts is substantially ligand based; 3) we have shown by isotopic labeling studies that the active catalyst (terpyridine)NiMe is not produced via a mechanism that involves the formation of methyl radicals when (TMEDA)NiMe2 is used as the catalyst precursor; 4) we have performed an extensive ligand survey for the alkyl-alkyl cross-coupling reactions and have found that electronic factors only moderately influence reactivity in the terpyridine-based catalysis and that the most dramatic effects arise from steric and solubility factors; 5) we have found that the use of bis(dialkylphosphino)methanes as ligands for nickel does not produce active catalysts for cross-coupling but rather leads to bridging hydride

  8. Rhodium-Catalyzed C-C Bond Formation via Heteroatom-Directed C-H Bond Activation

    Energy Technology Data Exchange (ETDEWEB)

    Colby, Denise; Bergman, Robert; Ellman, Jonathan

    2010-05-13

    that has seen widespread success involves the use of a proximal heteroatom that serves as a directing group for the selective functionalization of a specific C-H bond. In a survey of examples of heteroatom-directed Rh catalysis, two mechanistically distinct reaction pathways are revealed. In one case, the heteroatom acts as a chelator to bind the Rh catalyst, facilitating reactivity at a proximal site. In this case, the formation of a five-membered metallacycle provides a favorable driving force in inducing reactivity at the desired location. In the other case, the heteroatom initially coordinates the Rh catalyst and then acts to stabilize the formation of a metal-carbon bond at a proximal site. A true test of the utility of a synthetic method is in its application to the synthesis of natural products or complex molecules. Several groups have demonstrated the applicability of C-H bond functionalization reactions towards complex molecule synthesis. Target-oriented synthesis provides a platform to test the effectiveness of a method in unique chemical and steric environments. In this respect, Rh-catalyzed methods for C-H bond functionalization stand out, with several syntheses being described in the literature that utilize C-H bond functionalization in a key step. These syntheses are highlighted following the discussion of the method they employ.

  9. Investigation of an a-Si/c-Si interface on a c-Si(P) substrate by simulation

    Institute of Scientific and Technical Information of China (English)

    Wang Jianqiang; Gao Hua; Zhang Jian; Meng Fanying; Ye Qinghao

    2012-01-01

    We investigate the recombination mechanism in an a-Si/c-Si interface,and analyze the key factors that influence the interface passivation quality,such as Qs,δp/δn and Dit.The polarity of the dielectric film is very important to the illustration level dependent passivation quality; when nδn =pδp and the defect level Et equal to Ei (c-Si),the defect states are the most effective recombination center,AFORS-HET simulation and analysis indicate that emitter doping and a-Si/c-Si band offset modulation are effective in depleting or accumulating one charged carrier.Interface states (Dit) severely deteriorate Voc compared with Jsc for a-Si/c-Si HJ cell performance when Dit is over 1 × 1010 cm-2.eV-1.For a c-Si(P)/a-Si(P+) structure,ΦBSF in c-Si and Φo in a-Si have different performances in optimization contact resistance and c-Si(P)/a-Si(P+) interface recombination.

  10. Mechanism of the addition of nonenolizable aldehydes and ketones to (Di)metallenes (R(2)X=YR(2), X = Si, Ge Y = C, Si, Ge): a density functional and multiconfigurational perturbation theory study.

    Science.gov (United States)

    Mosey, Nicholas J; Baines, Kim M; Woo, Tom K

    2002-11-06

    The mechanism of the addition of nonenolizable aldehydes and ketones to group 14 (di)metallenes has been examined through a theoretical study of the addition of formaldehyde to Si=C, Ge=C, Si=Si, Si=Ge, and Ge=Ge bonds at the B3LYP/6-311++G(d,p) and CAS-MCQDPT2/6-31++G(d,p) levels of theory. The reaction pathways located can be grouped as either involving the formation of singlet diradical or zwitterionic intermediates or as concerted processes. Within each group of reaction pathways, several different mechanisms have been located, with not all mechanisms being available to all of the (di)metallenes. It was found that for reactions in which a Si-O bond results (i.e., addition to Si=C, Si=Si, and Si=Ge) both diradical and zwitterionic intermediates are possible; however, the formation of diradical intermediates was not found for reactions that result in the formation of a Ge-O bond (addition to Ge=C and Ge=Ge). The underlying cause of this pathway selectivity is examined, as well as the effect of solvent on the relative energies of the pathways. The results of the study shed light on the cause of experimentally obtained results regarding the mechanism of the reaction of (di)metallenes with nonenolizable ketones and aldehydes.

  11. C-SiC Honeycomb for Advanced Flight Structures Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The proposed project is to manufacture a C-SiC honeycomb structure to use as a high temperature material in advanced aircraft, spacecraft and industrial...

  12. Formation of amide bonds without a condensation agent and implications for origin of life.

    Science.gov (United States)

    Keller, M; Blöchl, E; Wächtershäuser, G; Stetter, K O

    1994-04-28

    Amide bonds are of central importance for biochemistry; in the guise of peptide bonds, they form the backbone of proteins. The formation of amide bonds without the assistance of enzymes poses a major challenge for theories of the origin of life. Enzyme-free formation of amide bonds between amino acids has been demonstrated in the presence of condensing agents such as cyanamide. Here we report the formation of amide bonds in aqueous solution in the absence of any condensing agent. We find that the formation of pyrite (FeS2) from FeS and H2S can provide the driving force for reductive acetylation of amino acids with mercaptoacetic acid (HSCH2COOH). The redox energy of pyrite formation permits the activation of the carboxylic acid group, which is converted to a species that reacts readily with amines. This process provides support for the chemo-autotrophic theory for the origin of life, in which pyrite formation supplies the energy source for the first autocatalytic reproduction cycle.

  13. ELECTRONIC STRUCTURE OF CLUSTER ASSEMBLED Al12C (Si) SOLID

    Institute of Scientific and Technical Information of China (English)

    QUAN HONG-JUN; GONG XIN-GAO

    2000-01-01

    The electronic structures of the cluster-assembled solid Al12C (Si) are studied by the ab initio method. We find that Al12C (Si) can solidify into a van der Waals solid. The electronic band structures show very weak dispersion. The main features in the electronic structure of cluster are retained in the solid, and an energy gap up to about 1.5 eV is observed for Al12C and Al12Si solids.

  14. Maturation of Pseudomonas aeruginosa elastase - Formation of the disulfide bonds

    NARCIS (Netherlands)

    Braun, P; Ockhuijsen, C; Eppens, E; Koster, M; Bitter, W; Tommassen, J

    2001-01-01

    Elastase of Pseudomonas aeruginosa is synthesized as a preproenzyme. After propeptide-mediated folding in the periplasm, the proenzyme is autoproteolytically processed, prior to translocation of both the mature enzyme and the propeptide across the outer membrane. The formation of the two disulfide b

  15. Drinking alcohol has sex-dependent effects on pair bond formation in prairie voles.

    Science.gov (United States)

    Anacker, Allison M J; Ahern, Todd H; Hostetler, Caroline M; Dufour, Brett D; Smith, Monique L; Cocking, Davelle L; Li, Ju; Young, Larry J; Loftis, Jennifer M; Ryabinin, Andrey E

    2014-04-22

    Alcohol use and abuse profoundly influences a variety of behaviors, including social interactions. In some cases, it erodes social relationships; in others, it facilitates sociality. Here, we show that voluntary alcohol consumption can inhibit male partner preference (PP) formation (a laboratory proxy for pair bonding) in socially monogamous prairie voles (Microtus ochrogaster). Conversely, female PP is not inhibited, and may be facilitated by alcohol. Behavior and neurochemical analysis suggests that the effects of alcohol on social bonding are mediated by neural mechanisms regulating pair bond formation and not alcohol's effects on mating, locomotor, or aggressive behaviors. Several neuropeptide systems involved in the regulation of social behavior (especially neuropeptide Y and corticotropin-releasing factor) are modulated by alcohol drinking during cohabitation. These findings provide the first evidence to our knowledge that alcohol has a direct impact on the neural systems involved in social bonding in a sex-specific manner, providing an opportunity to explore the mechanisms by which alcohol affects social relationships.

  16. Preventing disulfide bond formation weakens non-covalent forces among lysozyme aggregates.

    Directory of Open Access Journals (Sweden)

    Vijay Kumar Ravi

    Full Text Available Nonnative disulfide bonds have been observed among protein aggregates in several diseases like amyotrophic lateral sclerosis, cataract and so on. The molecular mechanism by which formation of such bonds promotes protein aggregation is poorly understood. Here in this work we employ previously well characterized aggregation of hen eggwhite lysozyme (HEWL at alkaline pH to dissect the molecular role of nonnative disulfide bonds on growth of HEWL aggregates. We employed time-resolved fluorescence anisotropy, atomic force microscopy and single-molecule force spectroscopy to quantify the size, morphology and non-covalent interaction forces among the aggregates, respectively. These measurements were performed under conditions when disulfide bond formation was allowed (control and alternatively when it was prevented by alkylation of free thiols using iodoacetamide. Blocking disulfide bond formation affected growth but not growth kinetics of aggregates which were ∼50% reduced in volume, flatter in vertical dimension and non-fibrillar in comparison to control. Interestingly, single-molecule force spectroscopy data revealed that preventing disulfide bond formation weakened the non-covalent interaction forces among monomers in the aggregate by at least ten fold, thereby stalling their growth and yielding smaller aggregates in comparison to control. We conclude that while constrained protein chain dynamics in correctly disulfide bonded amyloidogenic proteins may protect them from venturing into partial folded conformations that can trigger entry into aggregation pathways, aberrant disulfide bonds in non-amyloidogenic proteins (like HEWL on the other hand, may strengthen non-covalent intermolecular forces among monomers and promote their aggregation.

  17. Formation of RNA phosphodiester bond by histidine-containing dipeptides

    DEFF Research Database (Denmark)

    Wieczorek, Rafal; Dörr, Mark; Chotera, Agata;

    2013-01-01

    A new scenario for prebiotic formation of nucleic acid oligomers is presented. Peptide catalysis is applied to achieve condensation of activated RNA monomers into short RNA chains. As catalysts, L-dipeptides containing a histidine residue, primarily Ser-His, were used. Reactions were carried out....... Details of the mechanism and kinetics, which were elucidated with a set of control experiments, further establish that the imidazole side chain of a histidine at the carboxyl end of the dipeptide plays a crucial role in the catalysis. These results suggest that this oligomerisation catalysis occurs...

  18. Computer simulations of 3C-SiC under hydrostatic and non-hydrostatic stresses.

    Science.gov (United States)

    Guedda, H Z; Ouahrani, T; Morales-García, A; Franco, R; Salvadó, M A; Pertierra, P; Recio, J M

    2016-03-21

    The response of 3C-SiC to hydrostatic pressure and to several uni- and bi-axial stress conditions is thoroughly investigated using first principles calculations. A topological interpretation of the chemical bonding reveals that the so-called non-covalent interactions enhance only at high pressure while the nature of the covalent Si-C bonding network keeps essentially with the same pattern. The calculated low compressibility agrees well with experimental values and is in concordance with the high structural stability of this polymorph under hydrostatic pressure. Under uniaxial [001] stress, the c/a ratio shows a noticeable drop inducing a closure of the band gap and the emergence of a metallic state around 40 GPa. This behavior correlates with a plateau of the electron localization function exhibiting a roughly constant and non-negligible value surrounding CSi4 and SiC4 covalent bonded units.

  19. Optimization of μc-Si1−xGex:H Single-Junction Solar Cells with Enhanced Spectral Response and Improved Film Quality

    Directory of Open Access Journals (Sweden)

    Yen-Tang Huang

    2015-01-01

    Full Text Available Effects of RF power on optical, electrical, and structural properties of μc-Si1−xGex:H films was reported. Raman and FTIR spectra from μc-Si1−xGex:H films reflected the variation in microstructure and bonding configuration. Unlike increasing the germane concentration for Ge incorporation, low RF power enhanced Ge incorporation efficiency in μc-Si1−xGex:H alloy. By decreasing RF power from 100 to 50 W at a fixed reactant gas ratio, the optical bandgap of μc-Si1−xGex:H was reduced owing to the increase in Ge content from 11.2 to 23.8 at.%, while Ge-related defects and amorphous phase were increased. Consequently, photo conductivity of 1.62 × 10−5 S/cm was obtained for the μc-Si1−xGex:H film deposited at 60 W. By applying 0.9 μm thick μc-Si1−xGex:H absorber with XC of 48% and [Ge] of 16.4 at.% in the single-junction cell, efficiency of 6.18% was obtained. The long-wavelength response of μc-Si1−xGex:H cell was significantly enhanced compared with the μc-Si:H cell. In the case of tandem cells, 0.24 μm a-Si:H/0.9 μm μc-Si1−xGex:H tandem cell exhibited a comparable spectral response as 0.24 μm a-Si:H/1.4 μm μc-Si:H tandem cell and achieved an efficiency of 9.44%.

  20. Optical and optomechanical ultralightweight C/SiC components

    Science.gov (United States)

    Papenburg, Ulrich; Pfrang, Wilhelm; Kutter, G. S.; Mueller, Claus E.; Kunkel, Bernd P.; Deyerler, Michael; Bauereisen, Stefan

    1999-11-01

    Optical and optomechanical structures based on silicon carbide (SiC) ceramics are becoming increasingly important for ultra- lightweight optical systems that must work in adverse environments. At IABG and Dornier Satellite Systems (DSS) in Munich, a special form of SiC ceramics carbon fiber reinforced silicon carbide (C/SiCR) has been developed partly under ESA and NASA contracts. C/SiCR is a light-weight, high- strength engineering material that features tunable mechanical and thermal properties. It offers exceptional design freedom due to its reduced brittleness and negligible volume shrinkage during processing in comparison to traditional, powder-based ceramics. Furthermore, its rapid fabrication process produces near-net-shape components using conventional NC machining/milling equipment and, thus, provides substantial schedule, cost, and risk savings. These characteristics allow C/SiCR to overcome many of the problems associated with more traditional optical materials. To date, C/SiCR has been used to produce ultra-lightweight mirrors and reflectors, antennas, optical benches, and monolithic and integrated reference structures for a variety of space and terrestrial applications. This paper describes the material properties, optical system and structural design aspects, the forming and manufacturing process including high-temperature joining technology, precision grinding and cladding techniques, and the performance results of a number of C/SiCR optical components we have built.

  1. Enhanced van der Waals epitaxy via electron transfer-enabled interfacial dative bond formation

    CERN Document Server

    Xie, Weiyu; Wang, Gwo-Ching; Bhat, Ishwara; Zhang, Shengbai

    2016-01-01

    Enhanced van der Waals (vdW) epitaxy of semiconductors on layered vdW substrate is identified as the formation of dative bonds. For example, despite that NbSe2 is a vdW layered material, first-principles calculations reveal that the bond strength at CdTe-NbSe2 interface is five times as large as that of vdW interaction at CdTe-graphene interface. The unconventional chemistry here is enabled by an effective net electron transfer from Cd dangling-bond states at CdTe surface to metallic non-bonding NbSe2 states, which is a necessary condition to activate the Cd for enhanced binding with Se.

  2. Disulfide bond formation network in the three biological kingdoms, bacteria, fungi and mammals.

    Science.gov (United States)

    Sato, Yoshimi; Inaba, Kenji

    2012-07-01

    Almost all organisms, from bacteria to humans, possess catalytic systems that promote disulfide bond formation-coupled protein folding, i.e. oxidative protein folding. These systems are necessary for the biosynthesis of many secretory and membrane proteins, such as antibodies, major histocompatibility complex molecules, growth factors, and insulin. Over the last decade, structural studies have made striking progress in this field of research, identifying how oxidative systems operate in a specific and regulated manner to maintain redox and protein homeostasis within cells. Interestingly, more and more novel catalysts that promote disulfide bond formation have been discovered in mammals, suggesting that the oxidative protein folding network is even more complicated in higher eukaryotes than previously thought. This review highlights the physiological roles and molecular bases of the disulfide bond formation pathways that have evolved in the bacterial periplasm and the endoplasmic reticulum of fungi and mammals. Accumulating knowledge about disulfide bond formation networks widely distributed throughout the biological kingdom has significantly advanced our understanding of the cellular mechanisms dedicated to protein quality control.

  3. Ring-opening of cyclic ethers with carbon–carbon bond formation by Grignard reagents

    DEFF Research Database (Denmark)

    Christensen, Stig Holden; Holm, Torkil; Madsen, Robert

    2014-01-01

    The ring-opening of cyclic ethers with concomitant C–C bond formation was studied with a number of Grignard reagents. The transformation was performed in a sealed vial by heating to ∼160 °C in an aluminum block or at 180 °C in a microwave oven. Good yields of the product alcohols were obtained wi...

  4. Formation of metal-F bonds during frictional sliding : Influence of water and applied load

    NARCIS (Netherlands)

    Shen, J. T.; Pei, Y. T.; De Hosson, J. Th. M.

    2016-01-01

    Effects of water lubrication and applied load on the formation of PTFE transfer films and metal-F bonds during sliding when PTFE filled composites sliding against steel and Al2O3 are investigated. In water lubricated conditions, XPS analysis reveals that a thin layer of water molecules at the slidin

  5. 2D-C/SiC高速深磨磨削特性及去除机制%Investigation of grinding characteristics and removal mechanisms of 2D-C/SiC in high speed deep grinding

    Institute of Scientific and Technical Information of China (English)

    刘杰; 李海滨; 张小彦; 洪智亮; 何宗倍; 张毅; 刘小瀛

    2012-01-01

    The grinding experiments were conducted on 2D-C/SiC composites by using resin bond diamond wheel in this work.The ground surface/subsurface damages were observed.The theory expression of grinding force for the friction layer(surface) of 2D-C/SiC was proposed,and the effect of grinding machining process amount on grinding force and force ratio was also discussed.The result indicates that the removal mechanisms involved in the grinding process for 2D-C/SiC composites are dominated by their brittleness fractures and related to their microstructures,which are different from those of ordinary plastic and brittle materials.%采用树脂结合剂金刚石砂轮,通过对2D-C/SiC复合材料高速深磨磨削加工,并对磨削表面形貌和亚表面损伤进行了观察。提出了2D-C/SiC摩擦层(表面)的磨削力理论公式,讨论了磨削加工用量对磨削力和磨削力比的影响。实验结果表明,2D-C/SiC复合材料的高速深磨材料去除机制与其自身的微观结构相关,既不同于塑性材料,也不同于普通脆性材料,而是以脆性断裂去除为主。

  6. Lightweight C/SiC mirrors for space application

    Science.gov (United States)

    Zhou, Hao; Zhang, Chang-rui; Cao, Ying-bin; Zhou, Xin-gui

    2006-02-01

    Challenges in high resolution space telescopes have led to the desire to create large primary mirror apertures. Ceramic mirrors and complex structures are becoming more important for high precision lightweight optical applications in adverse environments. Carbon-fiber reinforced silicon carbide (C/SiC) has shown great potential to be used as mirror substrate. This material has a high stiffness to weight ratio, dimensional stability from ambient to cryo temperatures, and thermal conductivity, low thermal expansion as well. These properties make C/SiC very attractive for a variety of applications in precision optical structures, especially when considering space-borne application. In this paper, lightweight C/SiC mirror prepared for a scan mirror of a high resolution camera is presented. The manufacturing of C/SiC mirror starts with a porous rigid felt made of short chopped carbon fibers. The fibers are molded with phenolic resin under pressure to form a carbon fiber reinforced plastic blank, followed by a pyrolization process by which the phenolic resin reacts to a carbon matrix. The C/C-felt can be machined by standard computer controlled milling techniques to any virtual shape. This is one of the most significant advantages of this material, as it drastically reduces the making costs and enables the manufacture of truly ultra-lightweight mirrors, reflectors and structures. Upon completion of milling, the C/C-felt preform is mounted in a high-temperature furnace together with silicon and heated under vacuum condition to 1500°C at which the silicon changes into liquid phase. Subsequently, the molten silicon is infiltrated into the porous preform under capillary forces to react with carbon matrix and the surfaces of the carbon fibers to form a density C/SiC substrate. The C/SiC material retains the preform shape to within a tight tolerance after sintering means the ceramization process is a nearly net shaping process. Reactive melt infiltrated C/SiC, followed by

  7. Identification of disulfide bond formation between MitoNEET and glutamate dehydrogenase 1.

    Science.gov (United States)

    Roberts, Morgan E; Crail, Jacquelyn P; Laffoon, Megan M; Fernandez, William G; Menze, Michael A; Konkle, Mary E

    2013-12-17

    MitoNEET is a protein that was identified as a drug target for diabetes, but its cellular function as well as its role in diabetes remains elusive. Protein pull-down experiments identified glutamate dehydrogenase 1 (GDH1) as a potential binding partner. GDH1 is a key metabolic enzyme with emerging roles in insulin regulation. MitoNEET forms a covalent complex with GDH1 through disulfide bond formation and acts as an activator. Proteomic analysis identified the specific cysteine residues that participate in the disulfide bond. This is the first report that effectively links mitoNEET to activation of the insulin regulator GDH1.

  8. Phase Stability and Thermal Conductivity of Composite Environmental Barrier Coatings on SiC/SiC Ceramic Matrix Composites

    Science.gov (United States)

    Benkel, Samantha; Zhu, Dongming

    2011-01-01

    Advanced environmental barrier coatings are being developed to protect SiC/SiC ceramic matrix composites in harsh combustion environments. The current coating development emphasis has been placed on the significantly improved cyclic durability and combustion environment stability in high-heat-flux and high velocity gas turbine engine environments. Environmental barrier coating systems based on hafnia (HfO2) and ytterbium silicate, HfO2-Si nano-composite bond coat systems have been processed and their stability and thermal conductivity behavior have been evaluated in simulated turbine environments. The incorporation of Silicon Carbide Nanotubes (SiCNT) into high stability (HfO2) and/or HfO2-silicon composite bond coats, along with ZrO2, HfO2 and rare earth silicate composite top coat systems, showed promise as excellent environmental barriers to protect the SiC/SiC ceramic matrix composites.

  9. Behavior of intermetallics formation and evolution in Ag–8Au–3Pd alloy wire bonds

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Rui [State Key Laboratory of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai (China); Hang, Tao, E-mail: hangtao@sjtu.edu.cn [State Key Laboratory of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai (China); Mao, Dali [State Key Laboratory of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai (China); Li, Ming, E-mail: mingli90@sjtu.edu.cn [State Key Laboratory of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai (China); Qian, Kaiyou; Lv, Zhong; Chiu, Hope [Packaging RnD and Advanced MFG Engineering, SanDisk Semiconductor (Shanghai) Co., Ltd., Shanghai (China)

    2014-03-05

    Highlights: • Two IMC layers formed between Ag–8Au–3Pd alloy wire and Al pad were identified. • IMCs growth during annealing was discussed by diffusion kinetics. • Ag diffusion controls voids filling at bonding interface during thermal aging. -- Abstract: Ag–8Au–3Pd alloy wire has shown promise as an economical substitute for gold wire interconnects from integrated circuits to substrates. This work is undertaken to gain a better understanding on the intermetallic compounds (IMC) formation and evolution at the interface between Ag–8Au–3Pd wire and Al metallization pad. Longitudinal cross-section of bond interface was prepared by dual-beam focused ion beam (FIB) micro-machining for transmission electron microscopy (TEM) analysis. Two intermetallic regions formed at interface were crystallochemically identified as AuAl{sub 2} + (Au, Ag){sub 4}Al and Ag{sub 2}Al respectively. Interface evolution tracking by back scattered electron (BSE) imaging showed that IMC initially formed at periphery of bonding area. After short-term annealing treatment (175 °C for 24 h), the voids in the center of the bonding interface shrank and vanished, due to the Ag diffusion played dominant part in IMC growing. The mechanism of IMC formation and evolution at interface was finally elaborated on the basis of thermodynamics and diffusion kinetics respectively.

  10. Cytosolic disulfide bond formation in cells infected with large nucleocytoplasmic DNA viruses.

    Science.gov (United States)

    Hakim, Motti; Fass, Deborah

    2010-10-01

    Proteins that have evolved to contain stabilizing disulfide bonds generally fold in a membrane-delimited compartment in the cell [i.e., the endoplasmic reticulum (ER) or the mitochondrial intermembrane space (IMS)]. These compartments contain sulfhydryl oxidase enzymes that catalyze the pairing and oxidation of cysteine residues. In contrast, most proteins in a healthy cytosol are maintained in reduced form through surveillance by NADPH-dependent reductases and the lack of sulfhydryl oxidases. Nevertheless, one of the core functionalities that unify the broad and diverse set of nucleocytoplasmic large DNA viruses (NCLDVs) is the ability to catalyze disulfide formation in the cytosol. The substrates of this activity are proteins that contribute to the assembly, structure, and infectivity of the virions. If the last common ancestor of NCLDVs was present during eukaryogenesis as has been proposed, it is interesting to speculate that viral disulfide bond formation pathways may have predated oxidative protein folding in intracellular organelles.

  11. Lewis acid promoted dual bond formation: facile synthesis of dihydrocoumarins and spiro-tetracyclic dihydrocoumarins.

    Science.gov (United States)

    Niharika, Pedireddi; Ramulu, Bokka Venkat; Satyanarayana, Gedu

    2014-07-07

    Lewis acid (FeCl3) mediated dual bond (C-C and C-O) formation for synthesis of 3,4-dihydrocoumarins is presented. This method has successfully delivered a number of dihydrocoumarins containing dense functionalities on the aromatic ring. Significantly, the present method enabled achieving dihydrocoumarins with tertiary as well as quaternary carbon atoms at the benzylic position. Gratifyingly, the novel spiro-tetracyclic lactones have also been dextrously prepared using this process.

  12. Nickel-catalyzed Csp2-Csp3 bond formation by carbon-fluorine activation.

    Science.gov (United States)

    Sun, Alex D; Leung, Kaylyn; Restivo, Anita D; LaBerge, Nicole A; Takasaki, Harumi; Love, Jennifer A

    2014-03-10

    We report herein a general catalytic method for Csp(2)-Csp(3) bond formation through C-F activation. The process uses an inexpensive nickel complex with either diorganozinc or alkylzinc halide reagents, including those with β-hydrogen atoms. A variety of fluorine substitution patterns and functional groups can be readily incorporated. Sequential reactions involving different precatalysts and coupling partners permit the synthesis of densely functionalized fluorinated building blocks.

  13. On the wettability diversity of C/SiC surface: Comparison of the ground C/SiC surface and ablated C/SiC surface from three aspects

    Science.gov (United States)

    Wu, M. L.; Ren, C. Z.; Xu, H. Z.

    2016-11-01

    The coefficient of thermal conductivity was influenced by the wetting state of material. The wetting state usually depends on the surface wettability. C/SiC is a promising ceramic composites with multi-components. The wettability of C/SiC composites is hard to resort to the classical wetting theory directly. So far, few investigations focused on C/SiC surface wettability diversity after different material removal processes. In this investigation, comparative studies of surface wettability of ground C/SiC surface and laser-ablated C/SiC surface were carried out through apparent contact angle (APCA) measurements. The results showed that water droplets easily reached stable state on ground C/SiC surface; while the water droplets rappidly penetrated into the laser-ablated C/SiC surface. In order to find out the reason for wettability distinctions between the ground C/SiC surface and the laser-ablated C/SiC surface, comparative studies on the surface micro-structure, surface C-O-Si distribution, and surface C-O-Si weight percentage were carried out. The results showed that (1) A large number of micro cracks in the fuzzy pattern layer over laser-ablated C/SiC surfaces easily destoried the surface tension of water droplets, while only a few cracks existed over the ground C/SiC surfaces. (2) Chemical components (C, O, Si) were non-uniformly distributed on ground C/SiC surfaces, while the chemical components (C, O, Si) were uniformly distributed on laser-ablated C/SiC surfaces. (3) The carbon weight percentage on ground C/SiC surfaces were higher than that on laser-ablated C/SiC surfaces. All these made an essential contribution to the surface wettability diversity of C/SiC surface. Although more investigations about the quantitative influence of surface topography and surface chemical composition on composites wettability are still needed, the conslusion can be used in application: the wettability of C/SiC surface can be controlled by different material removal process

  14. Peptide bond formation of alanine on silica and alumina surfaces as a catalyst

    Science.gov (United States)

    Sánchez Arenillas, M.; Mateo-Martí, E.

    2012-09-01

    Polymerization of amino acids has been important for the origin of life because the peptides may have been the first self-replicating systems. The amino acid concentrations in the oceans may have been too diluted in the early phases of the Earth. The formation of the biopolymers could have been due to the catalytic action of various minerals (such as silica or alumina). Our work is based on the comparison between alumina and silica minerals with and without prior activation of their silanol groups for the formation of peptide bonds using alanina like amino acid which it is the simplest quiral amino acid.

  15. Palladium(II)-Catalyzed C-H Bond Activation/C-C and C-O Bond Formation Reaction Cascade: Direct Synthesis of Coumestans.

    Science.gov (United States)

    Neog, Kashmiri; Borah, Ashwini; Gogoi, Pranjal

    2016-12-02

    A palladium catalyzed cascade reaction of 4-hydroxycoumarins and in situ generated arynes has been developed for the direct synthesis of coumestans. This cascade strategy proceeds via C-H bond activation/C-O and C-C bond formations in a single reaction vessel. This methodology affords moderate to good yields of coumestans and is tolerant of a variety of functional groups including halide. The methodology was applied to the synthesis of natural product flemichapparin C.

  16. Bragg reflector and laser fired back contact in a-Si:H/c-Si heterostructure solar cell

    Energy Technology Data Exchange (ETDEWEB)

    Tucci, M. [ENEA, Research Center Casaccia, via Anguillarese 301, S. Maria di Galeria 00123, Rome (Italy)], E-mail: mario.tucci@casaccia.enea.it; Serenelli, L.; Salza, E.; Pirozzi, L. [ENEA, Research Center Casaccia, via Anguillarese 301, S. Maria di Galeria 00123, Rome (Italy); De Cesare, G.; Caputo, D.; Ceccarelli, M. [Department of Electronic Engineering, University ' Sapienza' , via Eudossiana 18 00184, Rome (Italy)

    2009-03-15

    The amorphous/crystalline silicon (a-Si/c-Si) heterostructure has recently attracted new interest due to higher open circuit voltage V{sub oc} and low temperature fabrication processes. By reducing the wafer thickness all these characteristics become a necessity, together with the requirement of a back reflecting mirror, to obtain an effective optical confinement. To this aim dielectric mirrors can be adopted in the rear side of the solar cells, together with a local process of laser fired back Al contact. Taking advantage of a-Si/SiN{sub x} passivation properties of c-Si surface a Bragg reflector configuration can be formed on the rear side of the c-Si wafer by Plasma Enhanced Chemical Vapor Deposition (PECVD) alternating several couples of a-Si/SiN{sub x} and choosing their thicknesses to maximize the reflectance inward the c-Si wafer in the NIR spectrum. In this work we have adopted this mirror on the rear side of an n-a-Si/i-a-Si/p-c-Si heterostructure solar cell to obtain a full low temperature process. The cell back contact has been ensured by an Al diffusion into the c-Si wafer promoted by Nd-YAG pulsed laser. The front cell contact has been enhanced by chromium silicide CrSi formation on top of the n-a-Si layer and ITO deposition followed by an Ag grid. A V{sub oc} of 681 mV and 94% of IQE at 1000 nm have been reached.

  17. {alpha}-Man monolayer formation via Si-C bond formation and protein recognition

    Energy Technology Data Exchange (ETDEWEB)

    Funato, Koji [School of Materials Science, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan); Shirahata, Naoto [National Institute for Materials Science (NIMS), 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Miura, Yoshiko, E-mail: miuray@jaist.ac.j [School of Materials Science, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan)

    2009-11-30

    An acetylenyl-terminated saccharide was synthesized and the thin layer formation on the hydrogen-terminated silicon was investigated. The acetylenyl-terminated saccharide was synthesized by the condensation reaction of hexynoic acid and p-aminophenyl saccharide. This was reacted with hydrogen-terminated silicon (Si-H) by a photochemical reaction. The resulting saccharide modified substrate was analyzed by ellipsometry and X-ray photoelectron spectroscopy, which showed the formation of a uniform monolayer. The surface's ability to recognize proteins was analyzed by fluorescent microscopy, and showed specific interactions with sugar recognition proteins.

  18. Structural investigation of the amorphous/crystalline interface by means of quantitative high-resolution transmission electron microscopy on the systems a-Si/c-Si and a-Ge/c-Si; Strukturelle Untersuchung der amorph/kristallinen Grenzflaeche mittels quantitativer hochaufloesender Transmissionselektronenmikroskopie an den Systemen a-Si/c-Si und a-Ge/c-Si

    Energy Technology Data Exchange (ETDEWEB)

    Thiel, K.

    2006-11-02

    In this Thesis the interfaces between covalently bonded crystalline and amorphous materials were studied with regard to the induced ordering in the amorphous material in the interfacial region by means of high-resolution transmission electron microscopy (HREM). The interface between amorphous germanium and crystalline silicon and the interface between amorphous and crystalline silicon served as material system. In order to quantify the influence of the crystalline order on the amorphous material, the HREM images were periodically averaged along the interface. The intensity components, which are correlated with the period of the lattice image, could thus be separated from the statistical intensity fluctuations, which are characteristic for images of amorphous materials. Since amorphous materials can only be described meaningful by statistical distribution functions, for the induced order a three-dimensional distribution function {rho}{sub 3D}(r) was taken as a basis, which describes the probability to find an atom in the amorphous material, if r=0 is the position of an atom in the crystal. Its two-dimensional projection, {rho}, can be determined using iterative image matching techniques on averaged experimental and simulated interface images. For the analyzed material systems {rho} exhibits lateral ordering as well as a pronounced layering in the vicinity of the interface. In the case of the a-Si/c-Si sample the mean orientation of bonds was 70.5 , as is in the case of the undistorted diamond lattice, while for the a-Ge/c-Si sample 65 resulted. The standard deviation for the distribution of the deviations from the mean bond angle yields for the a-Ge/c-Si sample in the first atomic layer a value of 11.3 and for the a-Si/c-Si sample 1.9 . These results suggest the conclusion, that the differences in these values are to be interpreted as the reaction of the amorphous material to the volume misfit. Although for both material systems 1.4 nm was calculated for the width

  19. Fabrication of laminated ZrC-SiC composite by vacuum hot-pressing sintering

    Directory of Open Access Journals (Sweden)

    Yuanyuan Li

    2015-03-01

    Full Text Available Laminated ZrC-SiC ceramic was prepared through tape casting and hot pressing. The green tapes of ZrC and SiC were prepared at room temperature. In order to improve the density of composite, the binder of green tapes were removed at 550 °C for 1 h. The laminated structure and the cracks propagation path, which is not a straight line, are observed by optical metalloscope. The compact laminated ZrC-SiC composite sintered by vacuum hot-pressing at 1650 °C for 90 min under pressure of 20 MPa was researched by X-ray diffraction and scanning electron microscopy (SEM equipped with energy dispersive X-ray analysis. The results showed that interlayer bonding is tight, and no disordered phase has formed in the interlayers of ZrC or SiC, and the combination mode is physical mechanism.

  20. The Mechanical and Electrical Effects of MEMS Capacitive Pressure Sensor Based 3C-SiC for Extreme Temperature

    Directory of Open Access Journals (Sweden)

    N. Marsi

    2014-01-01

    Full Text Available This paper discusses the mechanical and electrical effects on 3C-SiC and Si thin film as a diaphragm for MEMS capacitive pressure sensor operating for extreme temperature which is 1000 K. This work compares the design of a diaphragm based MEMS capacitive pressure sensor employing 3C-SiC and Si thin films. A 3C-SiC diaphragm was bonded with a thickness of 380 μm Si substrate, and a cavity gap of 2.2 μm is formed between the wafers. The MEMS capacitive pressure sensor designs were simulated using COMSOL ver 4.3 software to compare the diaphragm deflection, capacitive performance analysis, von Mises stress, and total electrical energy performance. Both materials are designed with the same layout dimensional with different thicknesses of the diaphragm which are 1.0 μm, 1.6 μm, and 2.2 μm. It is observed that the 3C-SiC thin film is far superior materials to Si thin film mechanically in withstanding higher applied pressures and temperatures. For 3C-SiC and Si, the maximum von Mises stress achieved is 148.32 MPa and 125.48 MPa corresponding to capacitance value which is 1.93 pF and 1.22 pF, respectively. In terms of electrical performance, the maximum output capacitance of 1.93 pF is obtained with less total energy of 5.87 × 10−13 J, thus having a 50% saving as compared to Si.

  1. Building Bridges: Biocatalytic C-C-Bond Formation toward Multifunctional Products.

    Science.gov (United States)

    Schmidt, Nina G; Eger, Elisabeth; Kroutil, Wolfgang

    2016-07-01

    Carbon-carbon bond formation is the key reaction for organic synthesis to construct the carbon framework of organic molecules. The review gives a selection of biocatalytic C-C-bond-forming reactions which have been investigated during the last 5 years and which have already been proven to be applicable for organic synthesis. In most cases, the reactions lead to products functionalized at the site of C-C-bond formation (e.g., α-hydroxy ketones, aminoalcohols, diols, 1,4-diketones, etc.) or allow to decorate aromatic and heteroaromatic molecules. Furthermore, examples for cyclization of (non)natural precursors leading to saturated carbocycles are given as well as the stereoselective cyclopropanation of olefins affording cyclopropanes. Although many tools are already available, recent research also makes it clear that nature provides an even broader set of enzymes to perform specific C-C coupling reactions. The possibilities are without limit; however, a big library of variants for different types of reactions is required to have the specific enzyme for a desired specific (stereoselective) reaction at hand.

  2. Building Bridges: Biocatalytic C–C-Bond Formation toward Multifunctional Products

    Science.gov (United States)

    2016-01-01

    Carbon–carbon bond formation is the key reaction for organic synthesis to construct the carbon framework of organic molecules. The review gives a selection of biocatalytic C–C-bond-forming reactions which have been investigated during the last 5 years and which have already been proven to be applicable for organic synthesis. In most cases, the reactions lead to products functionalized at the site of C–C-bond formation (e.g., α-hydroxy ketones, aminoalcohols, diols, 1,4-diketones, etc.) or allow to decorate aromatic and heteroaromatic molecules. Furthermore, examples for cyclization of (non)natural precursors leading to saturated carbocycles are given as well as the stereoselective cyclopropanation of olefins affording cyclopropanes. Although many tools are already available, recent research also makes it clear that nature provides an even broader set of enzymes to perform specific C–C coupling reactions. The possibilities are without limit; however, a big library of variants for different types of reactions is required to have the specific enzyme for a desired specific (stereoselective) reaction at hand. PMID:27398261

  3. Understanding the effect of substitution on the formation of S. . .F chalcogen bond

    Indian Academy of Sciences (India)

    RAHUL SHUKLA; DEEPAK CHOPRA

    2016-10-01

    In this study, we have investigated the effect of substitution on the formation of S. . .F non-covalent interactions in XHS. . .FCH₃ complexes (X= −H, −F, −Cl, −OH, −OCH₃, −NH₂, −NHCH₃, −NO₂, −CN) at MP2/aug-cc-pVDZ level of theory. The formation of S. . .F chalcogen bonds was observed in all the cases, except for X = −H. The binding energy of the S. . .F non-covalent interactions is strongly dependent on the nature of the substituent groups. The energy decomposition analysis revealed that electrostatic and exchangeenergy component are the dominant contributors towards the stability of these interactions. The topological analysis established the presence of the S. . .F chalcogen bond due to the presence of a bond critical point exclusively between sulphur and fluorine atoms representing a closed-shell interaction. The natural bondorbital analysis shows that the stability of the interaction comes from a charge transfer from F(lp) to σ* (S-X) orbital transition.

  4. Radical carbon-carbon bond formations enabled by visible light active photocatalysts.

    Science.gov (United States)

    Wallentin, Carl-Johan; Nguyen, John D; Stephenson, Corey R J

    2012-01-01

    This mini-review highlights the Stephenson group's contribution to the field of photoredox catalysis with emphasis on carbon-carbon bond formation. The realization of photoredox mediated reductive dehalogenation initiated investigations toward both intra- and intermolecular coupling reactions. These reactions commenced via visible light-mediated reduction of activated halogens to give carbon-centered radicals that were subsequently involved in carbon-carbon bond forming transformations. The developed protocols using Ru and Ir based polypyridyl complexes as photoredox catalysts were further tuned to efficiently catalyze overall redox neutral atom transfer radical addition reactions. Most recently, a simplistic flow reactor technique has been utilized to affect a broad scope of photocatalytic transformations with significant enhancement in reaction efficiency.

  5. Hydrophilicity of dentin bonding systems influences in vitro Streptococcus mutans biofilm formation

    Science.gov (United States)

    Brambilla, Eugenio; Ionescu, Andrei; Mazzoni, Annalisa; Cadenaro, Milena; Gagliani, Massimo; Ferraroni, Monica; Tay, Franklin; Pashley, David; Breschi, Lorenzo

    2014-01-01

    Objectives To evaluate in vitro Streptococcus mutans (S. mutans) biofilm formation on the surface of five light-curing experimental dental bonding systems (DBS) with increasing hydrophilicity. The null hypothesis tested was that resin chemical composition and hydrophilicity does not affect S. mutans biofilm formation. Methods Five light-curing versions of experimental resin blends with increasing hydrophilicity were investigated (R1, R2, R3, R4 and R5). R1 and R2 contained ethoxylated BisGMA/TEGDMA or BisGMA/TEGDMA, respectively, and were very hydrophobic, were representative of pit-and-fissure bonding agents. R3 was representative of a typical two-step etch- and-rinse adhesive, while R4 and R5 were very hydrophilic resins analogous to self-etching adhesives. Twenty-eight disks were prepared for each resin blend. After a 24 h-incubation at 37 °C, a multilayer monospecific biofilm of S. mutans was obtained on the surface of each disk. The adherent biomass was determined using the MTT assay and evaluated morphologically with confocal laser scanning microscopy (CLSM) and scanning electron microscopy (SEM). Results R2 and R3 surfaces showed the highest biofilm formation while R1 and R4 showed a similar intermediate biofilm formation. R5 was more hydrophilic and acidic and was significantly less colonized than all the other resins. A significant quadratic relationship between biofilm formation and hydrophilicity of the resin blends was found. CLSM and SEM evaluation confirmed MTT assay results. Conclusions The null hypothesis was rejected since S. mutans biofilm formation was influenced by hydrophilicity, surface acidity and chemical composition of the experimental resins. Further studies using a bioreactor are needed to confirm the results and clarify the role of the single factors. PMID:24954666

  6. Thermodynamic Strategies for C-O Bond Formation and Cleavage via Tandem Catalysis.

    Science.gov (United States)

    Lohr, Tracy L; Li, Zhi; Marks, Tobin J

    2016-05-17

    To reduce global reliance on fossil fuels, new renewable sources of energy that can be used with the current infrastructure are required. Biomass represents a major source of renewable carbon based fuel; however, the high oxygen content (∼40%) limits its use as a conventional fuel. To utilize biomass as an energy source, not only with current infrastructure, but for maximum energy return, the oxygen content must be reduced. One method to achieve this is to develop selective catalytic methods to cleave C-O bonds commonly found in biomass (aliphatic and aromatic ethers and esters) for the eventual removal of oxygen in the form of volatile H2O or carboxylic acids. Once selective methods of C-O cleavage are understood and perfected, application to processing real biomass feedstocks such as lignin can be undertaken. This Laboratory previously reported that recyclable "green" lanthanide triflates are excellent catalysts for C-O bond-forming hydroalkoxylation reactions. Based on the virtues of microscopic reversibility, the same lanthanide triflate catalyst should catalyze the reverse C-O cleavage process, retrohydroalkoxylation, to yield an alcohol and an alkene. However, ether C-O bond-forming (retrohydroalkoxylation) to form an alcohol and alkene is endothermic. Guided by quantum chemical analysis, our strategy is to couple endothermic, in tandem, ether C-O bond cleavage with exothermic alkene hydrogenation, thereby leveraging the combined catalytic cycles thermodynamically to form an overall energetically favorable C-O cleavage reaction. This Account reviews recent developments on thermodynamically leveraged tandem catalysis for ether and more recently, ester C-O bond cleavage undertaken at Northwestern University. First, the fundamentals of lanthanide-catalyzed hydroelementation are reviewed, with particular focus on ether C-O bond formation (hydroalkoxylation). Next, the reverse C-O cleavage/retrohydroalkoxylation processes enabled by tandem catalysis are

  7. Joining of SiC ceramics and SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Rabin, B.H. [Idaho National Engineering Lab., Idaho Falls, ID (United States)

    1995-08-01

    This project has successfully developed a practical and reliable method for fabricating SiC ceramic-ceramic joints. This joining method has the potential to facilitate the use of SiC-based ceramics in a variety of elevated temperature fossil energy applications. The technique is based on a reaction bonding approach that provides joint interlayers compatible with SiC, and excellent joint mechanical properties at temperatures exceeding 1000{degrees}C. Recent efforts have focused on transferring the joining technology to industry. Several industrial partners have been identified and collaborative research projects are in progress. Investigations are focusing on applying the joining method to sintered a-SiC and fiber-reinforced SiC/SiC composites for use in applications such as heat exchangers, radiant burners and gas turbine components.

  8. Joining of SiC ceramics and SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Rabin, B.H. [Idaho National Engineering Lab., Idaho Falls, ID (United States)

    1996-08-01

    This project has successfully developed a practical and reliable method for fabricating SiC ceramic-ceramic joints. This joining method will permit the use of SiC-based ceramics in a variety of elevated temperature fossil energy applications. The technique is based on a reaction bonding approach that provides joint interlayers compatible with SiC, and excellent joint mechanical properties at temperatures exceeding 1000{degrees}C. Recent emphasis has been given to technology transfer activities, and several collaborative research efforts are in progress. Investigations are focusing on applying the joining method to sintered {alpha}-SiC and fiber-reinforced SiC/SiC composites for use in applications such as heat exchangers, radiant burners and gas turbine components.

  9. A Synthesis of 1H-Indazoles via a Cu(OAc)2-Catalyzed N-N Bond Formation.

    Science.gov (United States)

    Chen, Cheng-yi; Tang, Guangrong; He, Fengxian; Wang, Zhaobin; Jing, Hailin; Faessler, Roger

    2016-04-01

    A facile synthesis of 1H-indazoles featuring a Cu(OAc)2-catalyzed N-N bond formation using oxygen as the terminal oxidant is described. The reaction of readily available 2-aminobenzonitriles with various organometallic reagents led to o-aminoaryl N-H ketimine species. The subsequent Cu(OAc)2-catalyzed N-N bond formation in DMSO under oxygen afforded a wide variety of 1H-indazoles in good to excellent yields.

  10. Improved C/SiC Ceramic Composites Made Using PIP

    Science.gov (United States)

    Easler, Timothy

    2007-01-01

    Improved carbon-fiber-reinforced SiC ceramic-matrix composite (C/SiC CMC) materials, suitable for fabrication of thick-section structural components, are producible by use of a combination of raw materials and processing conditions different from such combinations used in the prior art. In comparison with prior C/SiC CMC materials, these materials have more nearly uniform density, less porosity, and greater strength. The majority of raw-material/processing-condition combinations used in the prior art involve the use of chemical vapor infiltration (CVI) for densifying the matrix. In contrast, in synthesizing a material of the present type, one uses a combination of infiltration with, and pyrolysis of, a preceramic polymer [polymer infiltration followed by pyrolysis (PIP)]. PIP processing is performed in repeated, tailored cycles of infiltration followed by pyrolysis. Densification by PIP processing takes less time and costs less than does densification by CVI. When one of these improved materials was tested by exposure to a high-temperature, inert-gas environment that caused prior C/SiC CMCs to lose strength, this material did not lose strength. (Information on the temperature and exposure time was not available at the time of writing this article.) A material of the present improved type consists, more specifically, of (1) carbon fibers coated with an engineered fiber/matrix interface material and (2) a ceramic matrix, containing SiC, derived from a pre-ceramic polymer with ceramic powder additions. The enhancements of properties of these materials relative to those of prior C/SiC CMC materials are attributable largely to engineering of the fiber/ matrix interfacial material and the densification process. The synthesis of a material of this type includes processing at an elevated temperature to a low level of open porosity. The approach followed in this processing allows one to fabricate not only simple plates but also more complexly shaped parts. The carbon fiber

  11. Bridging and bonding interactions in higher education: social capital and students' academic and professional identity formation.

    Science.gov (United States)

    Jensen, Dorthe H; Jetten, Jolanda

    2015-01-01

    It is increasingly recognized that graduates' achievements depend in important ways on their opportunities to develop an academic and a professional identity during their studies. Previous research has shown that students' socio-economic status (SES) and social capital prior to entering university affects their ability to obtain these identities in higher education. However, what is less well understood is whether social capital that is built during university studies shapes identity development, and if so, whether the social capital gained during university years impacts on academic and professional identity differently. In a qualitative study, we interviewed 26 Danish and 11 Australian university students about their social interaction experiences, their opportunities to develop bonding capital as well as bridging capital, and their academic and professional identity. Findings show that while bonding social capital with co-students facilitated academic identity formation, such social capital does not lead to professional identity development. We also found that the development of bridging social capital with educators facilitated students' professional identity formation. However, bonding social capital among students stood in the way of participating in bridging interaction with educators, thereby further hindering professional identity formation. Finally, while students' parental background did not affect the perceived difficulty of forming professional identity, there was a tendency for students from lower SES backgrounds to be more likely to make internal attributions while those from higher SES backgrounds were more likely to make external attributions for the failure to develop professional identity. Results point to the importance of creating opportunities for social interaction with educators at university because this facilitates the generation of bridging social capital, which, in turn, is essential for students' professional identity development.

  12. Tribological properties of C/C-SiC composites for brake discs

    Science.gov (United States)

    Jang, G. H.; Cho, K. H.; Park, S. B.; Lee, W. G.; Hong, U. S.; Jang, H.

    2010-02-01

    This study examines the friction and wear of ceramic matrix composites designed for use in automotive brake discs. The composites are produced by reinforcing a SiC matrix with carbon fibers using a liquid silicon infiltration method. C/C-SiC composites with two different compositions are fabricated to examine the compositional effect on the tribological properties. The tribological properties are evaluated using a scale dynamometer with a low-steel type friction material. The results show that the coefficient of friction is determined by the composition of the composite, which affects the propensity of friction film formation on the disc surface. A stable friction film on the disc surface also improves the wear resistance by diminishing the abrasive action of the disc. On the other hand, the friction film formation on the disc is affected by the applied pressure, and stable films are obtained at high pressures. This trend is prominent with discs with high Si content. However, both C/C/-SiC composites show superior performance in terms of the friction force oscillation, which is closely related to brake-induced vibration.

  13. An erbium-based bifuctional heterogeneous catalyst: a cooperative route towards C-C bond formation.

    Science.gov (United States)

    Oliverio, Manuela; Costanzo, Paola; Macario, Anastasia; De Luca, Giuseppina; Nardi, Monica; Procopio, Antonio

    2014-07-15

    Heterogeneous bifuctional catalysts are multifunctional synthetic catalysts enabling efficient organic transformations by exploiting two opposite functionalities without mutual destruction. In this paper we report the first Er(III)-based metallorganic heterogeneous catalyst, synthesized by post-calcination MW-assisted grafting and modification of the natural aminoacid L-cysteine. The natural acid-base distance between sites was maintained to assure the cooperation. The applicability of this new bifunctional heterogeneous catalyst to C-C bond formation and the supposed mechanisms of action are discussed as well.

  14. An Erbium-Based Bifuctional Heterogeneous Catalyst: A Cooperative Route Towards C-C Bond Formation

    Directory of Open Access Journals (Sweden)

    Manuela Oliverio

    2014-07-01

    Full Text Available Heterogeneous bifuctional catalysts are multifunctional synthetic catalysts enabling efficient organic transformations by exploiting two opposite functionalities without mutual destruction. In this paper we report the first Er(III-based metallorganic heterogeneous catalyst, synthesized by post-calcination MW-assisted grafting and modification of the natural aminoacid L-cysteine. The natural acid–base distance between sites was maintained to assure the cooperation. The applicability of this new bifunctional heterogeneous catalyst to C-C bond formation and the supposed mechanisms of action are discussed as well.

  15. Wide-Range Enhancement of Spectral Response by Highly Conductive and Transparent μc-SiOx:H Doped Layers in μc-Si:H and a-Si:H/μc-Si:H Thin-Film Solar Cells

    Directory of Open Access Journals (Sweden)

    Pei-Ling Chen

    2016-01-01

    Full Text Available The enhancement of optical absorption of silicon thin-film solar cells by the p- and n-type μc-SiOx:H as doped and functional layers was presented. The effects of deposition conditions and oxygen content on optical, electrical, and structural properties of μc-SiOx:H films were also discussed. Regarding the doped μc-SiOx:H films, the wide optical band gap (E04 of 2.33 eV while maintaining a high conductivity of 0.2 S/cm could be obtained with oxygen incorporation of 20 at.%. Compared to the conventional μc-Si:H(p as window layer in μc-Si:H single-junction solar cells, the application of μc-SiOx:H(p increased the VOC and led to a significant enhancement in the short-wavelength spectral response. Meanwhile, the employment of μc-SiOx:H(n instead of conventional ITO as back reflecting layer (BRL enhanced the external quantum efficiency (EQE of μc-Si:H single-junction cell in the long-wavelength region, leading to a relative efficiency gain of 10%. Compared to the reference cell, the optimized a-Si:H/μc-Si:H tandem cell by applying p- and n-type μc-SiOx:H films achieved a VOC of 1.37 V, JSC of 10.55 mA/cm2, FF of 73.67%, and efficiency of 10.51%, which was a relative enhancement of 16%.

  16. Photoluminescence Properties of Nanocrystalline 3C-SiC Films

    Institute of Scientific and Technical Information of China (English)

    YU Wei; LU Xue-qin; LU Wan-bing; HAN Li; FU Guang-sheng

    2006-01-01

    Nanocrystalline (nc) 3C-SiC films on the Si substrate were prepared by the helicon wave plasma enhanced chemical vapor deposition (HW-PECVD) technique. With the SiH4-CH4 gas flow ratio changing, the films exhibit different photoluminescence (PL) characteristics. Under the stoichiometric condition, the PL peak redshift from 470 nm to 515 nm is detected with the increase of excitation wavelength, which can be attributed to the quantum confinement effect radiation of 3C-SiC nanocrystals of different sizes. However, the appearance of an additional PL band at 436 nm in Si-rich film might be sourced back to the excess of Si defect centers in it. This is also the case for C-rich film for its PL band lying at 570 nm. The results above quoted indicate an important influence of gas flow ratio on the PL properties of the SiC films providing an effective guidance for analyzing the luminescence mechanism and exploring the high-efficiency light emission of the SiC films.

  17. Dissecting the role of disulfide bonds on the amyloid formation of insulin

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yang; Gong, Hao [Tongji School of Pharmacy, Huazhong University of Science and Technology, Wuhan 430030 (China); Sun, Yue [College of Life Sciences, Wuhan University, Wuhan 430072 (China); Yan, Juan; Cheng, Biao; Zhang, Xin [Tongji School of Pharmacy, Huazhong University of Science and Technology, Wuhan 430030 (China); Huang, Jing [College of Life Sciences, Wuhan University, Wuhan 430072 (China); Yu, Mengying; Guo, Yu [Tongji School of Pharmacy, Huazhong University of Science and Technology, Wuhan 430030 (China); Zheng, Ling, E-mail: lzheng217@hotmail.com [College of Life Sciences, Wuhan University, Wuhan 430072 (China); Huang, Kun, E-mail: kunhuang2008@hotmail.com [Tongji School of Pharmacy, Huazhong University of Science and Technology, Wuhan 430030 (China); Centre for Biomedicine Research, Wuhan Institutes of Biotechnology, Wuhan 430070 (China)

    2012-06-29

    Highlights: Black-Right-Pointing-Pointer We dissect how individual disulfide bond affects the amyloidogenicity of insulin. Black-Right-Pointing-Pointer A controlled reduction system for insulin is established in this study. Black-Right-Pointing-Pointer Disulfide breakage is associated with unfolding and increased amyloidogenicity. Black-Right-Pointing-Pointer Breakage of A6-A11 is associated with significantly increased cytotoxicity. Black-Right-Pointing-Pointer Analogs without A6-A11 have a higher potency to form high order toxic oligomers. -- Abstract: Disulfide bonds play a critical role in the stability and folding of proteins. Here, we used insulin as a model system, to investigate the role of its individual disulfide bond during the amyloid formation of insulin. Tris(2-carboxyethyl)phosphine (TCEP) was applied to reduce two of the three disulfide bonds in porcine insulin and the reduced disulfide bonds were then alkylated by iodoacetamide. Three disulfide bond-modified insulin analogs, INS-2 (lack of A6-A11), INS-3 (lack of A7-B7) and INS-6 (lack of both A6-A11 and A7-B7), were obtained. Far-UV circular dichroism (CD) spectroscopy results indicated that the secondary structure of INS-2 was the closest to insulin under neutral conditions, followed by INS-3 and INS-6, whereas in an acidic solution all analogs were essentially unfolded. To test how these modifications affect the amyloidogenicity of insulin, thioflavin-T (ThT) fluorescence and transmission electronic microscopy (TEM) were performed. Our results showed that all analogs were more prone to aggregation than insulin, with the order of aggregation rates being INS-6 > INS-3 > INS-2. Cross-linking of unmodified proteins (PICUP) assay results showed that analogs without A6-A11 (INS-2 and INS-6) have a higher potential for oligomerization than insulin and INS-3, which is accompanied with a higher cytotoxicity as the hemolytic assays of human erythrocytes suggested. The results indicated that breakage of A7

  18. Optimized Reaction Conditions for Amide Bond Formation in DNA-Encoded Combinatorial Libraries.

    Science.gov (United States)

    Li, Yizhou; Gabriele, Elena; Samain, Florent; Favalli, Nicholas; Sladojevich, Filippo; Scheuermann, Jörg; Neri, Dario

    2016-08-08

    DNA-encoded combinatorial libraries are increasingly being used as tools for the discovery of small organic binding molecules to proteins of biological or pharmaceutical interest. In the majority of cases, synthetic procedures for the formation of DNA-encoded combinatorial libraries incorporate at least one step of amide bond formation between amino-modified DNA and a carboxylic acid. We investigated reaction conditions and established a methodology by using 1-ethyl-3-(3-(dimethylamino)propyl)carbodiimide, 1-hydroxy-7-azabenzotriazole and N,N'-diisopropylethylamine (EDC/HOAt/DIPEA) in combination, which provided conversions greater than 75% for 423/543 (78%) of the carboxylic acids tested. These reaction conditions were efficient with a variety of primary and secondary amines, as well as with various types of amino-modified oligonucleotides. The reaction conditions, which also worked efficiently over a broad range of DNA concentrations and reaction scales, should facilitate the synthesis of novel DNA-encoded combinatorial libraries.

  19. Bimetallic bonding and mixed oxide formation in the Ga-Pd-CeO2 system

    Science.gov (United States)

    Skála, Tomáš; Tsud, Nataliya; Prince, Kevin C.; Matolín, Vladimír

    2011-08-01

    The interaction of gallium and palladium with 2 nm CeO2(111) layers grown on Cu(111) was studied by core level photoelectron spectroscopy and resonant valence band spectroscopy. Palladium alone interacted weakly with ceria layers. Gallium deposited on cerium dioxide formed a mixed Ga2O3-Ce2O3 oxide of 1:1 stoichiometry (cerium gallate CeGaO3), with both metals in the M3+ oxidation state. Increasing Ga coverages led to the formation of lower oxidation states, i.e., Ga1+ in Ga2O oxide and metallic Ga0. Palladium deposited onto this complex system interacted with gallium leading to a breakage of Ga-ceria bonds, a decrease of the oxidation state of gallium, and formation of a Ga-Pd intermetallic alloy in which all components (CeO2, CeGaO3, Ga2O, Ga-Pd, and Pd) are in equilibrium.

  20. Evaluation of the Role of Water in the H2 Bond Formation by Ni(II)-Based Electrocatalysts.

    Science.gov (United States)

    Ho, Ming-Hsun; Raugei, Simone; Rousseau, Roger; Dupuis, Michel; Bullock, R Morris

    2013-08-13

    We investigate the role of water in the H-H bond formation by a family of nickel molecular catalysts that exhibit high rates for H2 production in acetonitrile solvent. A key feature leading to the high reactivity is the Lewis acidity of the Ni(II) center and pendant amines in the diphosphine ligand that function as Lewis bases, facilitating H-H bond formation or cleavage. Significant increases in the rate of H2 production have been reported in the presence of added water. Our calculations show that molecular water can displace an acetonitrile solvent molecule in the first solvation shell of the metal. One or two water molecules can also participate in shuttling a proton that can combine with a metal hydride to form the H-H bond. However the participation of the water molecules does not lower the barrier to H-H bond formation. Thus these calculations suggest that the rate increase due to water in these electrocatalysts is not associated with the elementary step of H-H bond formation or cleavage but rather with the proton delivery steps. We attribute the higher barrier in the H-H bond formation in the presence of water to a decrease in direct interaction between the protic and hydridic hydrogen atoms forced by the water molecules.

  1. Acetic Acid Can Catalyze Succinimide Formation from Aspartic Acid Residues by a Concerted Bond Reorganization Mechanism: A Computational Study

    Science.gov (United States)

    Takahashi, Ohgi; Kirikoshi, Ryota; Manabe, Noriyoshi

    2015-01-01

    Succinimide formation from aspartic acid (Asp) residues is a concern in the formulation of protein drugs. Based on density functional theory calculations using Ace-Asp-Nme (Ace = acetyl, Nme = NHMe) as a model compound, we propose the possibility that acetic acid (AA), which is often used in protein drug formulation for mildly acidic buffer solutions, catalyzes the succinimide formation from Asp residues by acting as a proton-transfer mediator. The proposed mechanism comprises two steps: cyclization (intramolecular addition) to form a gem-diol tetrahedral intermediate and dehydration of the intermediate. Both steps are catalyzed by an AA molecule, and the first step was predicted to be rate-determining. The cyclization results from a bond formation between the amide nitrogen on the C-terminal side and the side-chain carboxyl carbon, which is part of an extensive bond reorganization (formation and breaking of single bonds and the interchange of single and double bonds) occurring concertedly in a cyclic structure formed by the amide NH bond, the AA molecule and the side-chain C=O group and involving a double proton transfer. The second step also involves an AA-mediated bond reorganization. Carboxylic acids other than AA are also expected to catalyze the succinimide formation by a similar mechanism. PMID:25588215

  2. Acetic Acid Can Catalyze Succinimide Formation from Aspartic Acid Residues by a Concerted Bond Reorganization Mechanism: A Computational Study

    Directory of Open Access Journals (Sweden)

    Ohgi Takahashi

    2015-01-01

    Full Text Available Succinimide formation from aspartic acid (Asp residues is a concern in the formulation of protein drugs. Based on density functional theory calculations using Ace-Asp-Nme (Ace = acetyl, Nme = NHMe as a model compound, we propose the possibility that acetic acid (AA, which is often used in protein drug formulation for mildly acidic buffer solutions, catalyzes the succinimide formation from Asp residues by acting as a proton-transfer mediator. The proposed mechanism comprises two steps: cyclization (intramolecular addition to form a gem-diol tetrahedral intermediate and dehydration of the intermediate. Both steps are catalyzed by an AA molecule, and the first step was predicted to be rate-determining. The cyclization results from a bond formation between the amide nitrogen on the C-terminal side and the side-chain carboxyl carbon, which is part of an extensive bond reorganization (formation and breaking of single bonds and the interchange of single and double bonds occurring concertedly in a cyclic structure formed by the amide NH bond, the AA molecule and the side-chain C=O group and involving a double proton transfer. The second step also involves an AA-mediated bond reorganization. Carboxylic acids other than AA are also expected to catalyze the succinimide formation by a similar mechanism.

  3. In vivo biofilm formation on stainless steel bonded retainers during different oral health-care regimens

    Institute of Scientific and Technical Information of China (English)

    Marije A Jongsma; Henny C van der Mei; Jelly Atema-Smit; Henk J Busscher; Yijin Ren

    2015-01-01

    Retention wires permanently bonded to the anterior teeth are used after orthodontic treatment to prevent the teeth from relapsing to pre-treatment positions. A disadvantage of bonded retainers is biofilm accumulation on the wires, which produces a higher incidence of gingival recession, increased pocket depth and bleeding on probing. This study compares in vivo biofilm formation on single-strand and multi-strand retention wires with different oral health-care regimens. Two-centimetre wires were placed in brackets that were bonded to the buccal side of the first molars and second premolars in the upper arches of 22 volunteers. Volunteers used a selected toothpaste with or without the additional use of a mouthrinse containing essential oils. Brushing was performed manually. Regimens were maintained for 1 week, after which the wires were removed and the oral biofilm was collected to quantify the number of organisms and their viability, determine the microbial composition and visualize the bacteria by electron microscopy. A 6-week washout period was employed between regimens. Biofilm formation was reduced on single-strand wires compared with multi-strand wires;bacteria were observed to adhere between the strands. The use of antibacterial toothpastes marginally reduced the amount of biofilm on both wire types, but significantly reduced the viability of the biofilm organisms. Additional use of the mouthrinse did not result in significant changes in biofilm amount or viability. However, major shifts in biofilm composition were induced by combining a stannous fluoride-or triclosan-containing toothpaste with the mouthrinse. These shifts can be tentatively attributed to small changes in bacterial cell surface hydrophobicity after the adsorption of the toothpaste components, which stimulate bacterial adhesion to the hydrophobic oil, as illustrated for a Streptococcus mutans strain.

  4. Comparison of Cyclic Hysteresis Behavior between Cross-Ply C/SiC and SiC/SiC Ceramic-Matrix Composites

    Directory of Open Access Journals (Sweden)

    Longbiao Li

    2016-01-01

    Full Text Available In this paper, the comparison of cyclic hysteresis behavior between cross-ply C/SiC and SiC/SiC ceramic-matrix composites (CMCs has been investigated. The interface slip between fibers and the matrix existed in the matrix cracking mode 3 and mode 5, in which matrix cracking and interface debonding occurred in the 0° plies are considered as the major reason for hysteresis loops of cross-ply CMCs. The hysteresis loops of cross-ply C/SiC and SiC/SiC composites corresponding to different peak stresses have been predicted using present analysis. The damage parameter, i.e., the proportion of matrix cracking mode 3 in the entire matrix cracking modes of the composite, and the hysteresis dissipated energy increase with increasing peak stress. The damage parameter and hysteresis dissipated energy of C/SiC composite under low peak stress are higher than that of SiC/SiC composite; However, at high peak stress, the damage extent inside of cross-ply SiC/SiC composite is higher than that of C/SiC composite as more transverse cracks and matrix cracks connect together.

  5. Nanoscale triboactivity of functionalized c-Si surfaces by Fe+ ion implantation

    Science.gov (United States)

    Nunes, B.; Alves, E.; Colaço, R.

    2016-04-01

    In the present work, we present a study of the effect of Fe+ ion implantation on the tribological response at nanoscale contact lengths of crystalline silicon (c-Si) surfaces. (1 0 0) silicon wafers were implanted with Fe+ at a fluence of 2  ×  1017 cm-2, followed by annealing treatments at temperatures of 800 °C and 1000 °C. After microstructural characterization, nanoabrasive wear tests were performed with an atomic force microscope (AFM) using an AFM diamond tip with a stiff steel cantilever that enables the application of loads between 1 μN and 8 μN. After the nanowear tests, the same AFM was used to visualize and measure the worn craters. It was observed that the as-implanted samples present the poorest nanowear response, i.e. the highest wear rate, even higher than that of the unimplanted Si wafers used as a reference. Nevertheless, annealing treatments result in a measurable increase in the nanowear resistance. In this way we show that Fe+ ion implantation of c-Si, followed by the proper post-heat treatment, results in the formation of FeSi2 nanoprecipitates finely dispersed in a recrystallized matrix. This can be a valuable way of optimizing the nanotribological behavior of silicon.

  6. Spin-orbit coupling and magnetic interactions in Si(111):{C,Si,Sn,Pb}

    Science.gov (United States)

    Badrtdinov, D. I.; Nikolaev, S. A.; Katsnelson, M. I.; Mazurenko, V. V.

    2016-12-01

    We study the magnetic properties of the adatom systems on a semiconductor surface Si(111):{C,Si,Sn,Pb}-(√{3 }×√{3 }) . On the basis of all-electron density functional theory calculations we construct effective low-energy models taking into account spin-orbit coupling and electronic correlations. The Hartree-Fock simulations for the unit cell with nine correlated orbitals put forward insulating ground states with the noncollinear 120∘-Néel (for C, Si, Sn monolayer coverages) and 120∘-row-wise (for Pb adatom) antiferromagnetic orderings. The corresponding spin Hamiltonians with anisotropic exchange interactions are derived by means of the superexchange theory and the calculated Dzyaloshinskii-Moriya interactions in the systems with Sn and Pb adatoms are revealed to be very strong and compatible with the isotropic exchange couplings. To simulate the excited magnetic states we solve the constructed spin models by means of the Monte Carlo method, where at low temperatures and zero magnetic field we observe complex spin spiral patterns in Sn/Si(111) and Pb/Si(111). On this basis the formation of antiferromagnetic skyrmion lattice states at high magnetic fields in the adatom s p electron systems is discussed.

  7. Allylhydridopolycarbosilane (AHPCS) as matrix resin for C/SiC ceramic matrix composites

    Energy Technology Data Exchange (ETDEWEB)

    Sreeja, R. [Ceramic Matrix Products Division, Propellants and Special Chemicals Group, PCM Entity, Vikram Sarabhai Space Center, Thiruvananthapuram 695022 (India); Swaminathan, B., E-mail: swami1423@gmail.co [Ceramic Matrix Products Division, Propellants and Special Chemicals Group, PCM Entity, Vikram Sarabhai Space Center, Thiruvananthapuram 695022 (India); Painuly, Anil; Sebastian, T.V.; Packirisamy, S. [Ceramic Matrix Products Division, Propellants and Special Chemicals Group, PCM Entity, Vikram Sarabhai Space Center, Thiruvananthapuram 695022 (India)

    2010-04-15

    In present study, partially allyl-substituted hydridopolycarbosilane (5 mol% allyl) [AHPCS] has been characterized by spectral techniques and thermal analysis. The DSC studies show that, the polymer is self-cross-linking at lower temperatures without any incorporation of cross-linking agents. The spectral and thermal characterizations carried out at different processing stages indicate the possibility of extensive structural rearrangement accompanied by the loss of hydrogen and other reactions of C and Si containing species resulting in the conversion of the branched chain segment into a 3D SiC network structure. AHPCS gave ceramic residue of 72% and 70% at 900 and 1500 deg. C respectively in argon atmosphere. XRD pattern of 1500 deg. C heat-treated AHPCS, indicates the formation of silicon carbide with the particle size of 3-4 nm. AHPCS was used as matrix resin for the preparation of C/SiC composite without any interfacial coating over the T-300 carbon fabric reinforcement. Flexural strength value of 74-86 MPa for C/SiC specimen with density of 1.7 g/cm{sup 3} was obtained after four infiltration and pyrolysis cycles.

  8. C/SiC陶瓷基复合材料与铌合金钎焊机理研究%Study on brazing mechanism of C/SiC ceramic matrix composite to Nb alloy

    Institute of Scientific and Technical Information of China (English)

    张枝梅; 张权明

    2012-01-01

    阐述了C/SiC陶瓷基复合材料与铌合金的活性钎焊连接方式,通过扫描电镜、金相分析等手段,研究了钛基和铜基活性钎焊料分别在C/SiC陶瓷基复合材料和铌合金上的润湿性,并分析了两种材料的钎焊连接界面的微观元素扩散特征。研究结果表明,陶瓷基复合材料与铌合金的活性钎焊机理主要是通过钎焊料中的活性元素分别向陶瓷和铌合金中扩散并发生化学反应,从而实现三者之间的良好键合。%The active brazing method of C/SiC ceramic matrix composite to Nb alloy is discussed.The wettability of Ti-and Cu-based brazing alloys respective on C/SiC ceramic matrix composite and Nb alloy is studied,and the diffusion features of microcosmic elements on brazing connection interfaces of the two brazing alloys are investigated by the aid of scanning electron microscope(SEM) and metallographic phase analysis.The research results show that the active brazing mechanism of ceramic matrix composites to Nb alloy is that the active elements in brazing alloys are diffused to ceramics and Nb alloy respectively and chemically reacted with each other to realize the perfect bonding among them.

  9. Thermal Shock Properties of a 2D-C/SiC Composite Prepared by Chemical Vapor Infiltration

    Science.gov (United States)

    Zhang, Chengyu; Wang, Xuanwei; Wang, Bo; Liu, Yongsheng; Han, Dong; Qiao, Shengru; Guo, Yong

    2013-06-01

    The thermal shock properties of a two-dimensional carbon fiber-reinforced silicon carbide composite with a multilayered self-healing coating (2D-C/SiC) were investigated in air. The composite was prepared by low-pressure chemical vapor infiltration. 2D-C/SiC specimens were thermally shocked for different cycles between 900 and 300 °C. The thermal shock resistance was characterized by residual tensile properties and mass variation. The change of the surface morphology and microstructural evolution of the composite were examined by a scanning electron microscope. In addition, the phase evolution on the surfaces was identified using an X-ray diffractometer. It is found that the composite retains its tensile strength within 20 thermal shock cycles. However, the modulus of 2D-C/SiC decreases gradually with increasing thermal shock cycles. Extensive pullout of fibers on the fractured surface and peeling off of the coating suggest that the damage caused by the thermal shock involves weakening of the bonding strength of coating/composite and fiber/matrix. In addition, the carbon fibers in the near-surface zone were oxidized through the matrix cracks, and the fiber/matrix interfaces delaminated when the composite was subjected to a larger number of thermal shock cycles.

  10. Comparison of Fatigue Life Between C/SiC and SiC/SiC Ceramic-Matrix Composites at Room and Elevated Temperatures

    Science.gov (United States)

    Longbiao, Li

    2016-10-01

    In this paper, the comparison of fatigue life between C/SiC and SiC/SiC ceramic-matrix composites (CMCs) at room and elevated temperatures has been investigated. An effective coefficient of the fiber volume fraction along the loading direction (ECFL) was introduced to describe the fiber architecture of preforms. Under cyclic fatigue loading, the fibers broken fraction was determined by combining the interface wear model and fibers statistical failure model at room temperature, and interface/fibers oxidation model, interface wear model and fibers statistical failure model at elevated temperatures in the oxidative environments. When the broken fibers fraction approaches to the critical value, the composites fatigue fracture. The fatigue life S-N curves and fatigue limits of cross-ply, 2D and 3D C/SiC and SiC/SiC composites at room temperature, 550 °C in air, 750 °C in dry and humid condition, 800 °C in air, 1000 °C in argon and air, 1100 °C, 1300 °C and 1500 °C in vacuum, have been predicted. At room temperature, the fatigue limit of 2D C/SiC composite with ECFL of 20 % lies between 0.78 and 0.8 tensile strength; and the fatigue limit of 2D SiC/SiC composite with ECFL of 20 % lies between 0.75 and 0.85 tensile strength. The fatigue limit of 2D C/SiC composite increases to 0.83 tensile strength with ECFL increasing from 20 to 22.5 %, and the fatigue limit of 3D C/SiC composite is 0.85 tensile strength with ECFL of 37 %. The fatigue performance of 2D SiC/SiC composite is better than that of 2D C/SiC composite at elevated temperatures in oxidative environment.

  11. Thermodynamic assessment of the C-Si-Zr system

    Energy Technology Data Exchange (ETDEWEB)

    Chen, H.M. [School of Material Science and Engineering, Central South University, Changsha, Hunan 410083 (China); Xiang, Y.; Wang, S. [Key Laboratory of Advanced Ceramic Fibres and Composites, National University of Defense Technology, Changsha 410073 (China); Zheng, F.; Liu, L.B. [School of Material Science and Engineering, Central South University, Changsha, Hunan 410083 (China); Jin, Z.P. [School of Material Science and Engineering, Central South University, Changsha, Hunan 410083 (China)], E-mail: jin@mail.csu.edu.cn

    2009-04-17

    The reaction between Zr and SiC at 1473 K in vacuum has been studied. A layer structure was observed after high-temperature reactions between Zr and SiC complex. ZrC{sub x} was formed next to the SiC. Thermodynamic description for the C-Si-Zr system was developed based on its constituent binaries and critically reviewed experimental data. The Si-Zr binary has been modified. The high-temperature Zr{sub 5}Si{sub 3} phase and the ternary compound Zr{sub 5}Si{sub 3}C{sub x} was described as one phase, using the model (Zr){sub 5}(Si){sub 3}(C, Va){sub 1}. The calculated results were in good agreement with available experimental data.

  12. Environmental Barrier Coating Development for SiC/SiC Ceramic Matrix Composites: Recent Advances and Future Directions

    Science.gov (United States)

    Zhu, Dongming

    2016-01-01

    This presentation briefly reviews the SiC/SiC major environmental and environment-fatigue degradations encountered in simulated turbine combustion environments, and thus NASA environmental barrier coating system evolution for protecting the SiC/SiC Ceramic Matrix Composites for meeting the engine performance requirements. The presentation will review several generations of NASA EBC materials systems, EBC-CMC component system technologies for SiC/SiC ceramic matrix composite combustors and turbine airfoils, highlighting the temperature capability and durability improvements in simulated engine high heat flux, high pressure, high velocity, and with mechanical creep and fatigue loading conditions. This paper will also focus on the performance requirements and design considerations of environmental barrier coatings for next generation turbine engine applications. The current development emphasis is placed on advanced NASA candidate environmental barrier coating systems for SiC/SiC CMCs, their performance benefits and design limitations in long-term operation and combustion environments. The efforts have been also directed to developing prime-reliant, self-healing 2700F EBC bond coat; and high stability, lower thermal conductivity, and durable EBC top coats. Major technical barriers in developing environmental barrier coating systems, the coating integrations with next generation CMCs having the improved environmental stability, erosion-impact resistance, and long-term fatigue-environment system durability performance will be described. The research and development opportunities for turbine engine environmental barrier coating systems by utilizing improved compositions, state-of-the-art processing methods, and simulated environment testing and durability modeling will be briefly discussed.

  13. Electron paramagnetic resonance study on n-type electron-irradiated 3C-SiC

    Energy Technology Data Exchange (ETDEWEB)

    Carlsson, P; Rabia, K; Son, N T; Janzen, E [Department of Physics, Chemistry and Biology, Linkoeping University, SE-581 83 Linkoeping (Sweden); Ohshima, T; Morishita, N; Itoh, H [Japan Atomic Energy Research Institute, Takasaki 370-1292 (Japan); Isoya, J [University of Tsukuba, Tsukuba 305-8550 (Japan)], E-mail: paca@ifm.liu.se

    2008-03-15

    Electron Paramagnetic Resonance (EPR) was used to study defects in n-type 3C-SiC films irradiated by 3-MeV electrons at room temperature with a dose of 2x10{sup 18} cm{sup -2}. After electron irradiation, two new EPR spectra with an effective spin S = 1, labeled L5 and L6, were observed. The L5 center has C{sub 3v} symmetry with g = 2.004 and a fine-structure parameter D = 436.5x10{sup -4} cm{sup -1}. The L5 spectrum was only detected under light illumination and it could not be detected after annealing at {approx}550{sup 0}C. The principal z-axis of the D tensor is parallel to the <111>-directions, indicating the location of spins along the Si-C bonds. Judging from the symmetry and the fact that the signal was detected under illumination in n-type material, the L5 center may be related to the divacancy in the neutral charge state. The L6 center has a C{sub 2v}-symmetry with an isotropic g-value of g = 2.003 and the fine structure parameters D = 547.7x10{sup -4} cm{sup -1} and E = 56.2x10{sup -4} cm{sup -1}. The L6 center disappeared after annealing at a rather low temperature ({approx}200 deg. C), which is substantially lower than the known annealing temperatures for vacancy-related defects in 3C-SiC. This highly mobile defect may be related to carbon interstitials.

  14. Disruption of reducing pathways is not essential for efficient disulfide bond formation in the cytoplasm of E. coli

    Directory of Open Access Journals (Sweden)

    Hatahet Feras

    2010-09-01

    Full Text Available Abstract Background The formation of native disulfide bonds is a complex and essential post-translational modification for many proteins. The large scale production of these proteins can be difficult and depends on targeting the protein to a compartment in which disulfide bond formation naturally occurs, usually the endoplasmic reticulum of eukaryotes or the periplasm of prokaryotes. It is currently thought to be impossible to produce large amounts of disulfide bond containing protein in the cytoplasm of wild-type bacteria such as E. coli due to the presence of multiple pathways for their reduction. Results Here we show that the introduction of Erv1p, a sulfhydryl oxidase and FAD-dependent catalyst of disulfide bond formation found in the inter membrane space of mitochondria, allows the efficient formation of native disulfide bonds in heterologously expressed proteins in the cytoplasm of E. coli even without the disruption of genes involved in disulfide bond reduction, for example trxB and/or gor. Indeed yields of active disulfide bonded proteins were higher in BL21 (DE3 pLysSRARE, an E. coli strain with the reducing pathways intact, than in the commercial Δgor ΔtrxB strain rosetta-gami upon co-expression of Erv1p. Conclusions Our results refute the current paradigm in the field that disruption of at least one of the reducing pathways is essential for the efficient production of disulfide bond containing proteins in the cytoplasm of E. coli and open up new possibilities for the use of E. coli as a microbial cell factory.

  15. A Rough Energy Landscape to Describe Surface-Linked Antibody and Antigen Bond Formation

    Science.gov (United States)

    Limozin, Laurent; Bongrand, Pierre; Robert, Philippe

    2016-01-01

    Antibodies and B cell receptors often bind their antigen at cell-cell interface while both molecular species are surface-bound, which impacts bond kinetics and function. Despite the description of complex energy landscapes for dissociation kinetics which may also result in significantly different association kinetics, surface-bound molecule (2D) association kinetics usually remain described by an on-rate due to crossing of a single free energy barrier, and few experimental works have measured association kinetics under conditions implying force and two-dimensional relative ligand-receptor motion. We use a new laminar flow chamber to measure 2D bond formation with systematic variation of the distribution of encounter durations between antigen and antibody, in a range from 0.1 to 10 ms. Under physiologically relevant forces, 2D association is 100-fold slower than 3D association as studied by surface plasmon resonance assays. Supported by brownian dynamics simulations, our results show that a minimal encounter duration is required for 2D association; an energy landscape featuring a rough initial part might be a reasonable way of accounting for this. By systematically varying the temperature of our experiments, we evaluate roughness at 2kBT, in the range of previously proposed rough parts of landscapes models during dissociation. PMID:27731375

  16. Anatomy of bond formation. Bond length dependence of the extent of electron sharing in chemical bonds from the analysis of domain-averaged Fermi holes.

    Science.gov (United States)

    Ponec, Robert; Cooper, David L

    2007-01-01

    We demonstrate that domain-average Fermi hole (DAFH) analysis, which has previously been used at the Hartree-Fock level, remains useful after the proper introduction of electron correlation. We perform a systematic investigation of the variation of the picture of bonding with increasing bond length in simple diatomic molecules such as N2 and LiH. Alongside values of a shared-electron distribution index (SEDI), this analysis provides further insight into the geometry dependence of the extent of electron sharing in polar and non-polar systems. We also use DAFH analysis, with correlated wave functions, to evaluate the (potential) multicentre bonding in the electron-deficient and electron-rich molecules CH2Li2 and CH2N2, respectively.

  17. Isotopic Studies of O-O Bond Formation During Water Oxidation (SISGR)

    Energy Technology Data Exchange (ETDEWEB)

    Roth, Justine P. [Johns Hopkins Univ., Baltimore, MD (United States)

    2015-03-03

    Isotopic Studies of O-O Bond Formation During Water Oxidation (SISGR) Research during the project period focused primarily on mechanisms of water oxidation by structurally defined transition metal complexes. Competitive oxygen isotope fractionation of water, mediated by oxidized precursors or reduced catalysts together with ceric, Ce(IV), ammonium nitrate in aqueous media, afforded oxygen-18 kinetic isotope effects (O-18 KIEs). Measurement, calculation, and interpretation of O-18 KIEs, described in the accompanying report has important ramifications for the production of electricity and solar hydrogen (as fuel). The catalysis division of BES has acknowledged that understanding mechanisms of transition metal catalyzed water oxidation has major ramifications, potentially leading to transformation of the global economy and natural environment in years to come. Yet, because of program restructuring and decreased availability of funds, it was recommended that the Solar Photochemistry sub-division of BES would be a more appropriate parent program for support of continued research.

  18. Fabrication of double barrier structures in single layer c-Si-QDs/a-SiOx films for realization of energy selective contacts for hot carrier solar cells

    Science.gov (United States)

    Kar, Debjit; Das, Debajyoti

    2017-01-01

    Thin films of c-Si-QDs embedded in an a-SiOx dielectric matrix forming arrays of double barrier structures have been fabricated by reactive rf-magnetron sputtering at ˜400 °C, without post-deposition annealing. The formation of larger size c-Si-QDs of reduced number density in homogeneous distribution within a less oxygenated a-SiOx matrix at higher plasma pressure introduces systematic widening of the average periodic distance between the adjacent `c-Si-QDs in a-SiOx', as obtained by X-ray reflectivity and transmission electron microscopy studies. A wave-like pattern in the J-E characteristics identifies the formation of periodic double-barrier structures along the path of the movement of charge carriers across the QDs and that those are originated by the a-SiOx dielectric matrix around the c-Si-QDs. A finite distribution of the size of c-Si-QDs introduces a broadening of the current density peak and simultaneously originates the negative differential resistance-like characteristics, which have suitable applications in the energy selective contacts that act as energy filters for hot carrier solar cells. A simple yet effective process technology has been demonstrated. Further initiative on tuning the energy selectivity by reducing the size and narrowing the size-distribution of Si-QDs can emerge superior energy selective contacts for hot carrier solar cells, paving ground for accomplishing all-Si solar cells.

  19. mc-Si:H/c-Si solar cell prepared by PECVD

    Institute of Scientific and Technical Information of China (English)

    XU Ying; LIAO Xianbo; DIAO Hongwei; Li Xudong; ZENG Xiangbo; LIU Xiaoping; WANG Minhua; WANG Wenjing

    2006-01-01

    Hetero-junction solar cells with an mc-Si:H window layer were achieved. The open voltage is increased while short current is decreased with increasing the mc-Si:H layer's thickness of emitter layer. The highest of V oc of 597 mV has obtained. When fixed the thickness of 30 nm, changing the N type from amorphous silicon layer to micro-crystalline layer, the efficiency of the hetero-junction solar cells is increased. Although the hydrogen etching before deposition enables the c-Si substrates to become rough by AFM images, it enhances the formation of epitaxial-like micro-crystalline silicon and better parameters of solar cell can be obtained by implying this process. The best result of efficiency is 13.86% with the V oc of 549.8 mV, J sc of 32.19 mA·cm-2 and the cell's area of 1cm2.

  20. DsbL and DsbI contribute to periplasmic disulfide bond formation in Salmonella enterica serovar Typhimurium

    OpenAIRE

    Lin, Dongxia; Kim, Byoungkwan; Slauch, James M.

    2009-01-01

    Disulfide bond formation in periplasmic proteins is catalysed by the DsbA/DsbB system in most Gram-negative bacteria. Salmonella enterica serovar Typhimurium also encodes a paralogous pair of proteins to DsbA and DsbB, DsbL and DsbI, respectively, downstream of a periplasmic arylsulfate sulfotransferase (ASST). We show that DsbL and DsbI function as a redox pair contributing to periplasmic disulfide bond formation and, as such, affect transcription of the Salmonella pathogenicity island 1 (SP...

  1. Oxidation Behavior of C/C-SiC Gradient Matrix Composites

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Oxidation behavior of C/C-SiC gradient matrix composites and C/C composites were compared in stationary air. The results show that oxidation threshold of C-SiC materials increases with the amount of SiC particles in the codeposition matrix. Oxidation rate of C/C-SiC gradient matrix composites is significantly lower than that of C/C material. The micro-oxidation process was observed by SEM.

  2. Growth of boron doped hydrogenated nanocrystalline cubic silicon carbide (3C-SiC) films by Hot Wire-CVD

    Energy Technology Data Exchange (ETDEWEB)

    Pawbake, Amit [School of Energy Studies, Savitribai Phule Pune University, Pune 411 007 (India); Tata Institute of Fundamental Research, Colaba, Mumbai 400 005 (India); Mayabadi, Azam; Waykar, Ravindra; Kulkarni, Rupali; Jadhavar, Ashok [School of Energy Studies, Savitribai Phule Pune University, Pune 411 007 (India); Waman, Vaishali [Modern College of Arts, Science and Commerce, Shivajinagar, Pune 411 005 (India); Parmar, Jayesh [Tata Institute of Fundamental Research, Colaba, Mumbai 400 005 (India); Bhattacharyya, Somnath [Department of Metallurgical and Materials Engineering, IIT Madras, Chennai 600 036 (India); Ma, Yuan‐Ron [Department of Physics, National Dong Hwa University, Hualien 97401, Taiwan (China); Devan, Rupesh; Pathan, Habib [Department of Physics, Savitribai Phule Pune University, Pune 411007 (India); Jadkar, Sandesh, E-mail: sandesh@physics.unipune.ac.in [Department of Physics, Savitribai Phule Pune University, Pune 411007 (India)

    2016-04-15

    Highlights: • Boron doped nc-3C-SiC films prepared by HW-CVD using SiH{sub 4}/CH{sub 4}/B{sub 2}H{sub 6}. • 3C-Si-C films have preferred orientation in (1 1 1) direction. • Introduction of boron into SiC matrix retard the crystallanity in the film structure. • Film large number of SiC nanocrystallites embedded in the a-Si matrix. • Band gap values, E{sub Tauc} and E{sub 04} (E{sub 04} > E{sub Tauc}) decreases with increase in B{sub 2}H{sub 6} flow rate. - Abstract: Boron doped nanocrystalline cubic silicon carbide (3C-SiC) films have been prepared by HW-CVD using silane (SiH{sub 4})/methane (CH{sub 4})/diborane (B{sub 2}H{sub 6}) gas mixture. The influence of boron doping on structural, optical, morphological and electrical properties have been investigated. The formation of 3C-SiC films have been confirmed by low angle XRD, Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), Fourier transform infra-red (FTIR) spectroscopy and high resolution-transmission electron microscopy (HR-TEM) analysis whereas effective boron doping in nc-3C-SiC have been confirmed by conductivity, charge carrier activation energy, and Hall measurements. Raman spectroscopy and HR-TEM analysis revealed that introduction of boron into the SiC matrix retards the crystallanity in the film structure. The field emission scanning electron microscopy (FE-SEM) and non contact atomic force microscopy (NC-AFM) results signify that 3C-SiC film contain well resolved, large number of silicon carbide (SiC) nanocrystallites embedded in the a-Si matrix having rms surface roughness ∼1.64 nm. Hydrogen content in doped films are found smaller than that of un-doped films. Optical band gap values, E{sub Tauc} and E{sub 04} decreases with increase in B{sub 2}H{sub 6} flow rate.

  3. Impact Resistance of Uncoated SiC/SiC Composites

    Science.gov (United States)

    Bhatt, Ramakrishna T.; Choi, Sung R.; Cosgriff, Laura M.; Fox, Dennis S.; Lee, Kang N.

    2008-01-01

    Two-dimensional woven SiC/SiC composites fabricated by melt infiltration method were impact tested at room temperature and at 1316 C in air using 1.59-mm diameter steel-ball projectiles at velocities ranging from 115 to 400 m/s. The extent of substrate damage with increasing projectile velocity was imaged and analyzed using optical and scanning electron microscopy, and non-destructive evaluation (NDE) methods such as pulsed thermography, and computed tomography. The impacted specimens were tensile tested at room temperature to determine their residual mechanical properties. Results indicate that at 115 m/s projectile velocity, the composite showed no noticeable surface or internal damage and retained its as-fabricated mechanical properties. As the projectile velocity increased above this value, the internal damage increased and mechanical properties degraded: At velocities >300 m/s, the projectile penetrated through the composite, but the composite retained approx.50% of the ultimate tensile strength of the as-fabricated composite and exhibited non-brittle failure. Predominant internal damages are delamination of fiber plies, fiber fracture and matrix shearing.

  4. Heterolytic OO bond cleavage: Functional role of Glu113 during bis-Fe(IV) formation in MauG.

    Science.gov (United States)

    Geng, Jiafeng; Huo, Lu; Liu, Aimin

    2017-02-01

    The diheme enzyme MauG utilizes H2O2 to perform oxidative posttranslational modification on a protein substrate. A bis-Fe(IV) species of MauG was previously identified as a key intermediate in this reaction. Heterolytic cleavage of the OO bond of H2O2 drives the formation of the bis-Fe(IV) intermediate. In this work, we tested a hypothesis that a glutamate residue, Glu113 in the distal pocket of the pentacoordinate heme of MauG, facilitates heterolytic OO bond cleavage, thereby leading to bis-Fe(IV) formation. This hypothesis was proposed based on sequence alignment and structural comparison with other H2O2-utilizing hemoenzymes, especially those from the diheme enzyme superfamily that MauG belongs to. Electron paramagnetic resonance (EPR) characterization of the reaction between MauG and H2O2 revealed that mutation of Glu113 inhibited heterolytic OO bond cleavage, in agreement with our hypothesis. This result was further confirmed by the HPLC study in which an analog of H2O2, cumene hydroperoxide, was used to probe the pattern of OO bond cleavage. Together, our data suggest that Glu113 functions as an acid-base catalyst to assist heterolytic OO bond cleavage during the early stage of the catalytic reaction. This work advances our mechanistic understanding of the H2O2-activation process during bis-Fe(IV) formation in MauG.

  5. Effect of different parameters on machining of SiC/SiC composites via pico-second laser

    Science.gov (United States)

    Li, Weinan; Zhang, Ruoheng; Liu, Yongsheng; Wang, Chunhui; Wang, Jing; Yang, Xiaojun; Cheng, Laifei

    2016-02-01

    Pico-second laser plays an important role in modern machining technology, especially in machining high hardness materials. In this article, pico-second laser was utilized for irradiation on SiC/SiC composites, and effects of different processing parameters including the machining modes and laser power were discussed in detail. The results indicated that the machining modes and laser power had great effect on machining of SiC/SiC composites. Different types of surface morphology and structure were observed under helical line scanning and single ring line scanning, and the analysis of their formulation was discussed in detail. It was believed that the machining modes would be responsible to the different shapes of machining results at the same parameters. The processing power shall also influence the surface morphology and quality of machining results. In micro-hole drilling process, large amount of debris and fragments were observed within the micro-holes, and XPS analysis showed that there existed Si-O bonds and Si-C bonds, indicating that the oxidation during processing was incomplete. Other surface morphology, such as pores and pits were discussed as well.

  6. Bond formation effects on the metal-insulator transition in the half-filled kagome Hubbard model

    Science.gov (United States)

    Higa, Ryota; Asano, Kenichi

    2016-06-01

    We study the metal-insulator transition in the half-filled Hubbard model on a Kagome lattice using the variational cluster approximation. The strong coupling limit of the model corresponds to the S =1 /2 Kagome Heisenberg antiferromagnet, which is known to have a singlet ground state, although its detail is still debated. As the results of the cluster methods generally depend much on the choice of the unit cluster, we have chosen the clusters that are compatible with these singlet ground states in the strong coupling case found so far, which basically consist of even number of sites. It is found that the correlated electrons on the Kagome lattice have a strong tendency to form valence-bond structures, which are the resonation of electrons on a single bond or several bonds forming loops. The zero-temperature metal-insulator transition at some interaction strength is possibly driven by the formation of such short range valence bonds and shows a second order character, which is distinctive from the Brinkman-Rice scenario. The electrons on these valence bonds further localizes onto each site as the interaction increases, and the valence bonds of electrons finally turn into magnetic singlet bonds between localized S =1 /2 spins, which are consistent with the ground states of the Kagome antiferromagnet.

  7. Paleobotany and palynology of the Bristol Hill Coal Member (Bond Formation) and Friendsville Coal Member (Mattoon Formation) of the Illinois Basin (Upper Pennsylvania)

    Energy Technology Data Exchange (ETDEWEB)

    Willard, D.A.; Phillips, T.L. [US Geological Survey, Reston, VA (United States)

    1993-12-01

    Late Pennsylvanian coal swamps of the Illinois Basin were dominated by Psaronius tree ferns with a spatially heterogeneous distribution of medullosan pteridosperms (subdominant), calamites, sigillarian lycopsids, and cordaites. Miospore and coal-ball plant assemblages from the Missourian-age Bristol Hill Coal Member (Bond Formation) and Friendsville Coal Member (Mattoon Formation) of southeastern Illinois were quantified to analyze vegetational patterns in Late Pennsylvanian peat swamps and to compare vegetational composition of the coals.

  8. Influence of etching parameters on optoelectronic properties of c-Si/porous silicon heterojunction - application to solar cells

    Science.gov (United States)

    Bechiri, Fatiha; Zerdali, Mokhtar; Rahmoun, Ilham; Hamzaoui, Saad; Adnane, Mohamed; Sahraoui, Taoufik

    2013-03-01

    Thin layers of nanoporous silicon PS were synthesized by anodic etching, in order to develop photovoltaic cells. We proposed a diluted concentration of hydrofluoric acid with different etching current densities (1, 3, 5 mA/cm2) on a fairly short time anodization. Observations by scanning electron microscope, electrical measurements and optical measurements revealed that the structural properties of PS layers depended on strong conditions of prints. The reverse and forward component of the I-V characteristics showed an appropriate method to explore and extract the parameters of the diode ideality factor n. The optimum conditions of formation of PS were: HF concentration of 1% and an etching current density of mA/cm2. Unlike silicon, which has a low absorption of short visible wavelengths, it was shown that the PS had wide energy gap of ≈ 2 eV, and a marked improvement in the absorption between 400 and 600 nm. This property has been used to optimize the response of the solar cell Ni/PS/c-Si. Efficiency performance close to 4.2% was obtained with a Voc of 400 mV, and fill factor of 46%. The solar cell exhibited better response than the reference cell Ni/c-Si. These results show that PS/c-Si heterojunction has a potential for photovoltaic applications.

  9. Ablation behavior and mechanism of 3D Cf/ZrC-SiC composites in a plasma wind tunnel environment

    Directory of Open Access Journals (Sweden)

    Qinggang Li

    2015-12-01

    Full Text Available Three-dimensional needle-like Cf/ZrC-SiC composites were successfully fabricated by polymer infiltration and pyrolysis combined with ZrC precursor impregnation. The ablation properties of the composites were tested in a plasma wind tunnel environment at different temperatures and different times. The microstructure and morphology of the composites were examined after ablation by scanning electron microscopy, and their composition was confirmed by energy dispersive spectroscopy. The composites exhibited good configurational stability with a surface temperature of greater than 2273 K over a 300–1000 s period. The formation of ZrSiO4 and SiO2 melts on the surface of the 3D Cf/ZrC-SiC composites contributed significantly to improvement in their ablation properties. However, these composites exhibited serious ablation when the temperature was increased to 2800 K. The 3D Cf/ZrC-SiC composites obtained after ablation showed three different layers attributed to the temperature and pressure gradients: the ablation central region, the ablation transition region, and the unablation region.

  10. MICROWAVE-ASSISTED CHEMISTRY: SYNTHESIS OF AMINES AND HETEROCYCLES VIA CARBON-NITROGEN BOND FORMATION IN AQUEOUS MEDIA

    Science.gov (United States)

    Improved C-N bond formation under MW influence is demonstrated by a) solventless three-component coupling reaction to generate propargyl amines that uses only Cu (I); b) aqueous N-alkylation of amines by alkyl halides that proceeds expeditiously in the presence of NaOH to deliver...

  11. Imbalance of heterologous protein folding and disulfide bond formation rates yields runaway oxidative stress

    Directory of Open Access Journals (Sweden)

    Tyo Keith EJ

    2012-03-01

    Full Text Available Abstract Background The protein secretory pathway must process a wide assortment of native proteins for eukaryotic cells to function. As well, recombinant protein secretion is used extensively to produce many biologics and industrial enzymes. Therefore, secretory pathway dysfunction can be highly detrimental to the cell and can drastically inhibit product titers in biochemical production. Because the secretory pathway is a highly-integrated, multi-organelle system, dysfunction can happen at many levels and dissecting the root cause can be challenging. In this study, we apply a systems biology approach to analyze secretory pathway dysfunctions resulting from heterologous production of a small protein (insulin precursor or a larger protein (α-amylase. Results HAC1-dependent and independent dysfunctions and cellular responses were apparent across multiple datasets. In particular, processes involving (a degradation of protein/recycling amino acids, (b overall transcription/translation repression, and (c oxidative stress were broadly associated with secretory stress. Conclusions Apparent runaway oxidative stress due to radical production observed here and elsewhere can be explained by a futile cycle of disulfide formation and breaking that consumes reduced glutathione and produces reactive oxygen species. The futile cycle is dominating when protein folding rates are low relative to disulfide bond formation rates. While not strictly conclusive with the present data, this insight does provide a molecular interpretation to an, until now, largely empirical understanding of optimizing heterologous protein secretion. This molecular insight has direct implications on engineering a broad range of recombinant proteins for secretion and provides potential hypotheses for the root causes of several secretory-associated diseases.

  12. Ions colliding with clusters of fullerenes-Decay pathways and covalent bond formations

    Energy Technology Data Exchange (ETDEWEB)

    Seitz, F.; Zettergren, H.; Chen, T.; Gatchell, M.; Alexander, J. D.; Stockett, M. H.; Schmidt, H. T.; Cederquist, H. [Department of Physics, Stockholm University, S-106 91 Stockholm (Sweden); Rousseau, P.; Chesnel, J. Y.; Capron, M.; Poully, J. C.; Mery, A.; Maclot, S.; Adoui, L. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Universite de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen cedex 05 (France); Universite de Caen Basse-Normandie, Esplanade de la Paix, F-14032 Caen (France); Wang, Y.; Martin, F. [Departamento de Quimica, Modulo 13, Universidad Autonoma de Madrid, 28049 Madrid (Spain); Instituto Madrileno de Estudios Avanzados en Nanociencia (IMDEA-Nano), Cantoblanco, 28049 Madrid (Spain); Rangama, J.; Domaracka, A.; Vizcaino, V. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Universite de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen cedex 05 (France); and others

    2013-07-21

    We report experimental results for the ionization and fragmentation of weakly bound van der Waals clusters of n C{sub 60} molecules following collisions with Ar{sup 2+}, He{sup 2+}, and Xe{sup 20+} at laboratory kinetic energies of 13 keV, 22.5 keV, and 300 keV, respectively. Intact singly charged C{sub 60} monomers are the dominant reaction products in all three cases and this is accounted for by means of Monte Carlo calculations of energy transfer processes and a simple Arrhenius-type [C{sub 60}]{sub n}{sup +}{yields}C{sub 60}{sup +}+(n-1)C{sub 60} evaporation model. Excitation energies in the range of only {approx}0.7 eV per C{sub 60} molecule in a [C{sub 60}]{sub 13}{sup +} cluster are sufficient for complete evaporation and such low energies correspond to ion trajectories far outside the clusters. Still we observe singly and even doubly charged intact cluster ions which stem from even more distant collisions. For penetrating collisions the clusters become multiply charged and some of the individual molecules may be promptly fragmented in direct knock-out processes leading to efficient formations of new covalent systems. For Ar{sup 2+} and He{sup 2+} collisions, we observe very efficient C{sub 119}{sup +} and C{sub 118}{sup +} formation and molecular dynamics simulations suggest that they are covalent dumb-bell systems due to bonding between C{sub 59}{sup +} or C{sub 58}{sup +} and C{sub 60} during cluster fragmentation. In the Ar{sup 2+} case, it is possible to form even smaller C{sub 120-2m}{sup +} molecules (m= 2-7), while no molecular fusion reactions are observed for the present Xe{sup 20+} collisions.

  13. A conserved cysteine residue is involved in disulfide bond formation between plant plasma membrane aquaporin monomers.

    Science.gov (United States)

    Bienert, Gerd P; Cavez, Damien; Besserer, Arnaud; Berny, Marie C; Gilis, Dimitri; Rooman, Marianne; Chaumont, François

    2012-07-01

    AQPs (aquaporins) are conserved in all kingdoms of life and facilitate the rapid diffusion of water and/or other small solutes across cell membranes. Among the different plant AQPs, PIPs (plasma membrane intrinsic proteins), which fall into two phylogenetic groups, PIP1 and PIP2, play key roles in plant water transport processes. PIPs form tetramers in which each monomer acts as a functional channel. The intermolecular interactions that stabilize PIP oligomer complexes and are responsible for the resistance of PIP dimers to denaturating conditions are not well characterized. In the present study, we identified a highly conserved cysteine residue in loop A of PIP1 and PIP2 proteins and demonstrated by mutagenesis that it is involved in the formation of a disulfide bond between two monomers. Although this cysteine seems not to be involved in regulation of trafficking to the plasma membrane, activity, substrate selectivity or oxidative gating of ZmPIP1s (Zm is Zea mays), ZmPIP2s and hetero-oligomers, it increases oligomer stability under denaturating conditions. In addition, when PIP1 and PIP2 are co-expressed, the loop A cysteine of ZmPIP1;2, but not that of ZmPIP2;5, is involved in the mercury sensitivity of the channels.

  14. Radicals and ions controlling by adjusting the antenna-substrate distance in a-Si:H deposition using a planar ICP for c-Si surface passivation

    Science.gov (United States)

    Zhou, H. P.; Xu, S.; Xu, M.; Xu, L. X.; Wei, D. Y.; Xiang, Y.; Xiao, S. Q.

    2017-02-01

    Being a key issue in the research and fabrication of silicon heterojunction (SHJ) solar cells, crystalline silicon (c-Si) surface passivation is theoretically and technologically intricate due to its complicate dependence on plasma characteristics, material properties, and plasma-material interactions. Here amorphous silicon (a-Si:H) grown by a planar inductively coupled plasma (ICP) reactor working under different antenna-substrate distances of d was used for the surface passivation of low-resistivity p-type c-Si. It is found that the microstructures (i.e., the crystallinity, Si-H bonding configuration etc.) and passivation function on c-Si of the deposited a-Si:H were profoundly influenced by the parameter of d, which primarily determines the types of growing precursors of SiHn/H contributing to the film growth and the interaction between the plasma and growing surface. c-Si surface passivation is analyzed in terms of the d-dependent a-Si:H properties and plasma characteristics. The controlling of radical types and ion bombardment on the growing surface through adjusting parameter d is emphasized.

  15. Band edge discontinuities and carrier transport in c-Si/porous silicon heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Islam, Md Nazrul [QAED-SRG, Space Applications Centre (ISRO), Ahmedabad - 380015 (India); Ram, Sanjay K [Department of Physics, Indian Institute of Technology, Kanpur - 208016 (India); Kumar, Satyendra [Department of Physics, Indian Institute of Technology, Kanpur - 208016 (India)

    2007-10-07

    We have prepared light emitting nanocrystallline porous silicon (PS) layers by electrochemical anodization of crystalline silicon (c-Si) wafer and characterized the c-Si/PS heterojunctions using temperature dependence of dark current-voltage (I-V) characteristics. The reverse bias I-V characteristics of c-Si/PS heterojunctions are found to behave like the Schottky junctions where carrier transport is mainly governed by the carrier generation-recombination in the depletion region formed on the PS side. Fermi level of c-Si gets pinned to the defect levels at the interface resulting in ln(I) {approx} V{sup 1/2}. The barrier height in the reverse bias condition is shown to be equal to the band offset at the conduction band edges. An energy band diagram for the c-Si/PS heterojunction is proposed.

  16. High thermal conductivity SiC/SiC composites for fusion applications -- 2

    Energy Technology Data Exchange (ETDEWEB)

    Kowbel, W.; Tsou, K.T.; Withers, J.C. [MER Corp., Tucson, AZ (United States); Youngblood, G.E. [Pacific Northwest National Lab., Richland, WA (United States)

    1998-03-01

    This report covers material presented at the IEA/Jupiter Joint International Workshop on SiC/SiC Composites for Fusion Structural Applications held in conjunction with ICFRM-8, Sendai, Japan, Oct. 23--24, 1997. An unirradiated SiC/SiC composite made with MER-developed CVR SiC fiber and a hybrid PIP/CVI SiC matrix exhibited room temperature transverse thermal conductivity of 45 W/mK. An unirradiated SiC/SiC composite made from C/C composite totally CVR-converted to a SiC/SiC composite exhibited transverse thermal conductivity values of 75 and 35 W/mK at 25 and 1000 C, respectively. Both types of SiC/SiC composites exhibited non-brittle failure in flexure testing.

  17. Molecular dynamics simulation of the formation of sp3 hybridized bonds in hydrogenated diamondlike carbon deposition processes.

    Science.gov (United States)

    Murakami, Yasuo; Horiguchi, Seishi; Hamaguchi, Satoshi

    2010-04-01

    The formation process of sp3 hybridized carbon networks (i.e., diamondlike structures) in hydrogenated diamondlike carbon (DLC) films has been studied with the use of molecular-dynamics simulations. The processes simulated in this study are injections of hydrocarbon (CH3 and CH) beams into amorphous carbon (a-C) substrates. It has been shown that diamondlike sp3 structures are formed predominantly at a subsurface level when the beam energy is relatively high, as in the "subplantation" process for hydrogen-free DLC deposition. However, for hydrogenated DLC deposition, the presence of abundant hydrogen at subsurface levels, together with thermal spikes caused by energetic ion injections, substantially enhances the formation of carbon-to-carbon sp3 bonds. Therefore, the sp3 bond formation process for hydrogenated DLC films essentially differs from that for hydrogen-free DLC films.

  18. Legionella pneumophila utilizes a single-player disulfide-bond oxidoreductase system to manage disulfide bond formation and isomerization.

    Science.gov (United States)

    Kpadeh, Zegbeh Z; Day, Shandra R; Mills, Brandy W; Hoffman, Paul S

    2015-03-01

    Legionella pneumophila uses a single homodimeric disulfide bond (DSB) oxidoreductase DsbA2 to catalyze extracytoplasmic protein folding and to correct DSB errors through protein-disulfide isomerase (PDI) activity. In Escherichia coli, these functions are separated to avoid futile cycling. In L. pneumophila, DsbA2 is maintained as a mixture of disulfides (S-S) and free thiols (SH), but when expressed in E. coli, only the SH form is observed. We provide evidence to suggest that structural differences in DsbB oxidases (LpDsbB1 and LpDsbB2) and DsbD reductases (LpDsbD1 and LpDsbD2) (compared with E. coli) permit bifunctional activities without creating a futile cycle. LpdsbB1 and LpdsbB2 partially complemented an EcdsbB mutant while neither LpdsbD1 nor LpdsbD2 complemented an EcdsbD mutant unless DsbA2 was also expressed. When the dsb genes of E. coli were replaced with those of L. pneumophila, motility was restored and DsbA2 was present as a mixture of redox forms. A dominant-negative approach to interfere with DsbA2 function in L. pneumophila determined that DSB oxidase activity was necessary for intracellular multiplication and assembly/function of the Dot/Icm Type IVb secretion system. Our studies show that a single-player system may escape the futile cycle trap by limiting transfer of reducing equivalents from LpDsbDs to DsbA2.

  19. Biofilm formation on stainless steel and gold wires for bonded retainers in vitro and in vivo and their susceptibility to oral antimicrobials

    NARCIS (Netherlands)

    Jongsma, Marije A.; Pelser, Floris D. H.; van der Mei, Henny C.; Atema-Smit, Jelly; van de Belt-Gritter, Betsy; Busscher, Henk J.; Ren, Yijin

    2013-01-01

    OBJECTIVE: Bonded retainers are used in orthodontics to maintain treatment result. Retention wires are prone to biofilm formation and cause gingival recession, bleeding on probing and increased pocket depths near bonded retainers. In this study, we compare in vitro and in vivo biofilm formation on d

  20. In vivo biofilm formation on stainless steel bonded retainers during different oral health-care regimens

    NARCIS (Netherlands)

    Jongsma, Marije A.; van der Mei, Henny C.; Atema-Smit, Jelly; Busscher, Henk I.; Ren, Yijin

    2015-01-01

    Retention wires permanently bonded to the anterior teeth are used after orthodontic treatment to prevent the teeth from relapsing to pre-treatment positions. A disadvantage of bonded retainers is biofilm accumulation on the wires, which produces a higher incidence of gingival recession, increased po

  1. Ultraclean Si/Si interface formation by surface preparation and direct bonding in ultrahigh vacuum

    DEFF Research Database (Denmark)

    Hermansson, Karin; Grey, Francois; Bengtsson, Stefan;

    1998-01-01

    Silicon surfaces have been cleaned and bonded in ultrahigh vacuum, at a pressure in the 10(-10) Torr range. The bonded interfaces show extremely low contamination levels as measured by secondary ion mass spectroscopy. Nevertheless, a potential barrier could be detected at the interface by spreading...

  2. Bridge-bonded formate: active intermediate or spectator species in formic acid oxidation on a Pt film electrode?

    Science.gov (United States)

    Chen, Y-X; Heinen, M; Jusys, Z; Behm, R J

    2006-12-01

    We present and discuss the results of an in situ IR study on the mechanism and kinetics of formic acid oxidation on a Pt film/Si electrode, performed in an attenuated total reflection (ATR) flow cell configuration under controlled mass transport conditions, which specifically aimed at elucidating the role of the adsorbed bridge-bonded formates in this reaction. Potentiodynamic measurements show a complex interplay between formation and desorption/oxidation of COad and formate species and the total Faradaic current. The notably faster increase of the Faradaic current compared to the coverage of bridge-bonded formate in transient measurements at constant potential, but with different formic acid concentrations, reveals that adsorbed formate decomposition is not rate-limiting in the dominant reaction pathway. If being reactive intermediate at all, the contribution of formate adsorption/decomposition to the reaction current decreases with increasing formic acid concentration, accounting for at most 15% for 0.2 M DCOOH at 0.7 VRHE. The rapid build-up/removal of the formate adlayer and its similarity with acetate or (bi-)sulfate adsorption/desorption indicate that the formate adlayer coverage is dominated by a fast dynamic adsorption-desorption equilibrium with the electrolyte, and that formate desorption is much faster than its decomposition. The results corroborate the proposal of a triple pathway reaction mechanism including an indirect pathway, a formate pathway, and a dominant direct pathway, as presented previously (Chen, Y. X.; et al. Angew. Chem. Int. Ed. 2006, 45, 981), in which adsorbed formates act as a site-blocking spectator in the dominant pathway rather than as an active intermediate.

  3. Formation process,microstructure and mechanical property of transient liquid phase bonded aluminium-based metal matrix composite joint

    Institute of Scientific and Technical Information of China (English)

    孙大谦; 刘卫红; 贾树盛; 邱小明

    2004-01-01

    The formation process, microstructure and mechanical properties of transient liquid phase (TLP) bonded aluminium-based metal matrix composite (MMC) joint with copper interlayer were investigated. The formation process of the TLP joint comprises a number of stages: plastic deformation and solid diffusion (stage 1), dissolution of interlayer and base metal (stage 2), isothermal solidification (stage 3) and homogenization (stage 4). The microstructure of the joint depends on the joint formation process (distinct stages). The plastic deformation and solid diffusion in stage 1 favoure the intimate contact at interfaces and liquid layer formation. The microstructure of joint consists of aluminium solid solution, alumina particle, Al2Cu and MgAl2O4 compounds in stage 2. The most pronounced feature of joint microstructure in stage 3 is the alumina particle segregation in the center of the joint. The increase of joint shear strength with increasing bonding temperature is mainly attributed to improving the fluidity and wettability of liquid phase and decreasing the amount of Al2Cu brittle phase in the joint. The principal reason of higher bonding temperature (>600 ℃) resulting in lowering obviously the joint shear strength is the widening of alumina particle segregation region that acts as a preferential site for failure. The increase of joint shear strength with increasing holding time is mainly associated with decreasing the amount of Al2 Cu brittle phase and promoting homogenization of joint.

  4. Slow peptide bond formation by proline and other N-alkylamino acids in translation

    Science.gov (United States)

    Pavlov, Michael Y.; Watts, Richard E.; Tan, Zhongping; Cornish, Virginia W.; Ehrenberg, Måns; Forster, Anthony C.

    2009-01-01

    Proteins are made from 19 aa and, curiously, one N-alkylamino acid (“imino acid”), proline (Pro). Pro is thought to be incorporated by the translation apparatus at the same rate as the 19 aa, even though the alkyl group in Pro resides directly on the nitrogen nucleophile involved in peptide bond formation. Here, by combining quench-flow kinetics and charging of tRNAs with cognate and noncognate amino acids, we find that Pro incorporates in translation significantly more slowly than Phe or Ala and that other N-alkylamino acids incorporate much more slowly. Our results show that the slowest step in incorporation of N-alkylamino acids is accommodation/peptidyl transfer after GTP hydrolysis on EF-Tu. The relative incorporation rates correlate with expectations from organic chemistry, suggesting that amino acid sterics and basicities affect translation rates at the peptidyl transfer step. Cognate isoacceptor tRNAs speed Pro incorporation to rates compatible with in vivo, although still 3–6 times slower than Phe incorporation from Phe-tRNAPhe depending on the Pro codon. Results suggest that Pro is the only N-alkylamino acid in the genetic code because it has a privileged cyclic structure that is more reactive than other N-alkylamino acids. Our data on the variation of the rate of incorporation of Pro from native Pro-tRNAPro isoacceptors at 4 different Pro codons help explain codon bias not accounted for by the “tRNA abundance” hypothesis. PMID:19104062

  5. Semipolar (202̅3) nitrides grown on 3C-SiC/(001) Si substrates

    Science.gov (United States)

    Dinh, Duc V.; Presa, S.; Akhter, M.; Maaskant, P. P.; Corbett, B.; Parbrook, P. J.

    2015-12-01

    Heteroepitaxial growth of GaN buffer layers on 3C-SiC/(001) Si templates (4°-offcut towards [110]) by metalorganic vapour phase epitaxy has been investigated. High-temperature grown Al0.5Ga0.5N/AlN interlayers were employed to produce a single (202̅3) GaN surface orientation. Specular crack-free GaN layers showed undulations along [11̅0]{}3{{C}-{SiC}/{Si}} with a root mean square roughness of about 13.5 nm (50 × 50 μm2). The orientation relationship determined by x-ray diffraction (XRD) was found to be [1̅21̅0]GaN ∥[11̅0]{}3{{C}-{SiC}/{Si}} and [3̅034]GaN ∥[110]3C - SiC/Si . Low-temperature photoluminescence (PL) and XRD measurements showed the presence of basal-plane stacking faults in the layers. PL measurements of (202̅3) multiple-quantum-well and light-emitting diode structures showed uniform luminescence at about 500 nm emission wavelength. A small peak shift of about 3 nm was observed in the electroluminescence when the current was increased from 5 to 50 mA (25-250 A cm-2).

  6. Modification of the catalytic function of human hydroxysteroid sulfotransferase hSULT2A1 by formation of disulfide bonds.

    Science.gov (United States)

    Qin, Xiaoyan; Teesch, Lynn M; Duffel, Michael W

    2013-05-01

    The human cytosolic sulfotransferase hSULT2A1 catalyzes the sulfation of a broad range of xenobiotics, as well as endogenous hydroxysteroids and bile acids. Reversible modulation of the catalytic activity of this enzyme could play important roles in its physiologic functions. Whereas other mammalian sulfotransferases are known to be reversibly altered by changes in their redox environment, this has not been previously shown for hSULT2A1. We have examined the hypothesis that the formation of disulfide bonds in hSULT2A1 can reversibly regulate the catalytic function of the enzyme. Three thiol oxidants were used as model compounds to investigate their effects on homogeneous preparations of hSULT2A1: glutathione disulfide, 5,5'-dithiobis(2-nitrobenzoic acid), and 1,1'-azobis(N,N-dimethylformamide) (diamide). Examination of the effects of disulfide bond formation with these agents indicated that the activity of the enzyme is reversibly altered. Studies on the kinetics of the hSULT2A1-catalyzed sulfation of dehydroepiandrosterone (DHEA) showed the effects of disulfide bond formation on the substrate inhibition characteristics of the enzyme. The effects of these agents on the binding of substrates and products, liquid chromatography-mass spectrometry identification of the disulfides formed, and structural modeling of the modified enzyme were examined. Our results indicate that conformational changes at cysteines near the nucleotide binding site affect the binding of both the nucleotide and DHEA to the enzyme, with the specific effects dependent on the structure of the resulting disulfide. Thus, the formation of disulfide bonds in hSULT2A1 is a potentially important reversible mechanism for alterations in the rates of sulfation of both endogenous and xenobiotic substrates.

  7. Regioselective carbon–carbon bond formation of 5,5,5-trifluoro-1-phenylpent-3-en-1-yne

    Directory of Open Access Journals (Sweden)

    Motoki Naka

    2013-10-01

    Full Text Available The regioselective carbon–carbon bond formation was studied using 5,5,5-trifluoro-1-phenylpent-3-en-1-yne as a model substrate, and predominant acceptance of electrophiles β to a CF3 group as well as a deuterium trap experiment of the lithiated species led to the conclusion that the obtained regioselectivity is kinetically determined for the reactions with electrophiles, under equilibration of the possible two anionic species.

  8. Surveying approaches to the formation of carbon-carbon bonds between a pyran and an adjacent ring

    OpenAIRE

    Frein, Jeffrey D.; Rovis, Tomislav

    2006-01-01

    We have examined several methods for the stereoselective formation of carbon-carbon bonds between contiguous rings where a stereogenic center is already present. The approaches investigated were a [1,3] oxygen to carbon rearrangement of cyclic vinyl acetals, an intermolecular enolsilane addition into an in situ generated oxocarbenium ion, an intramolecular conjugate addition of tethered alkoxy enones, and epimerization of several α-pyranyl cycloalkanones. These routes have been found to be co...

  9. Chiral BINOL-derived phosphoric acids: privileged Brønsted acid organocatalysts for C-C bond formation reactions.

    Science.gov (United States)

    Zamfir, Alexandru; Schenker, Sebastian; Freund, Matthias; Tsogoeva, Svetlana B

    2010-12-07

    BINOL-derived phosphoric acids have emerged during the last five years as powerful chiral Brønsted acid catalysts in many enantioselective processes. The most successful transformations carried out with chiral BINOL phosphates include C-C bond formation reactions. The recent advances have been reviewed in this article with a focus being placed on hydrocyanations, aldol-type, Mannich, Friedel-Crafts, aza-ene-type, Diels-Alder, as well as cascade and multi-component reactions.

  10. Homolytic substitution at phosphorus for C–P bond formation in organic synthesis

    Science.gov (United States)

    2013-01-01

    Summary Organophosphorus compounds are important in organic chemistry. This review article covers emerging, powerful synthetic approaches to organophosphorus compounds by homolytic substitution at phosphorus with a carbon-centered radical. Phosphination reagents include diphosphines, chalcogenophosphines and stannylphosphines, which bear a weak P–heteroatom bond for homolysis. This article deals with two transformations, radical phosphination by addition across unsaturated C–C bonds and substitution of organic halides. PMID:23843922

  11. Homolytic substitution at phosphorus for C–P bond formation in organic synthesis

    Directory of Open Access Journals (Sweden)

    Hideki Yorimitsu

    2013-06-01

    Full Text Available Organophosphorus compounds are important in organic chemistry. This review article covers emerging, powerful synthetic approaches to organophosphorus compounds by homolytic substitution at phosphorus with a carbon-centered radical. Phosphination reagents include diphosphines, chalcogenophosphines and stannylphosphines, which bear a weak P–heteroatom bond for homolysis. This article deals with two transformations, radical phosphination by addition across unsaturated C–C bonds and substitution of organic halides.

  12. Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.

    Science.gov (United States)

    Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W M C; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M; Pérez, Pedro J

    2017-02-15

    Silver(I) promotes the highly chemoselective N-amidation of tertiary amines under catalytic conditions to form aminimides by nitrene transfer from PhI═NTs. Remarkably, this transformation proceeds in a selective manner in the presence of olefins and other functional groups without formation of the commonly observed aziridines or C-H insertion products. The methodology can be applied not only to rather simple tertiary amines but also to complex natural molecules such as brucine or quinine, where the products derived from N-N bond formation were exclusively formed. Theoretical mechanistic studies have shown that this selective N-amidation reaction proceeds through triplet silver nitrenes.

  13. Phosphoric acid-etching promotes bond strength and formation of acid-base resistant zone on enamel.

    Science.gov (United States)

    Li, N; Nikaido, T; Alireza, S; Takagaki, T; Chen, J-H; Tagami, J

    2013-01-01

    This study examined the effect of phosphoric acid (PA) etching on the bond strength and acid-base resistant zone (ABRZ) formation of a two-step self-etching adhesive (SEA) system to enamel. An etch-and-rinse adhesive (EAR) system Single Bond (SB) and a two-step SEA system Clearfil SE Bond (SE) were used. Human teeth were randomly divided into four groups according to different adhesive treatments: 1) SB; 2) SE; 3) 35% PA etching→SE primer→SE adhesive (PA/SEp+a); (4) 35% PA etching→SE adhesive (PA/SEa). Microshear bond strength to enamel was measured and then statistically analyzed using one-way analysis of variance and the Tukey honestly significant difference test. The failure mode was recorded and analyzed by χ( 2 ) test. The etching pattern of the enamel surface was observed with scanning electron microscope (SEM). The bonded interface was exposed to a demineralizing solution (pH=4.5) for 4.5 hours and then 5% sodium hypochlorite with ultrasonication for 30 minutes. After argon-ion etching, the interfacial ultrastructure was observed using SEM. The microshear bond strength to enamel of the SE group was significantly lower (p<0.05) than that of the three PA-etched groups, although the latter three were not significantly different from one another. The ABRZ was detected in all the groups. In morphological observation, the ABRZ in the three PA-etched groups were obviously thicker compared with the SE group with an irregular wave-shaped edge.

  14. Fabrication and characteristics of the nc-Si/c-Si heterojunction MAGFET

    Institute of Scientific and Technical Information of China (English)

    Zhao Xiaofeng; Wen Dianzhong

    2009-01-01

    A MAGFET using an nc-Si/c-Si heterojunction as source and drain was fabricated by CMOS technology, using two ohm-contact electrodes as Hall outputs on double sides of the channel situated 0.7L from the source. The experimental results show that when V_(DS) = -7.0 V, the magnetic sensitivity of the single nc-Si/c-Si heterojunction magnetic metal oxide semiconductor field effect transistor (MAGFET) with an L : W ratio of 2 : 1 is 21.26 mV/T,and that with an L : W ratio of 4 : 1 is 13.88 mV/T. When the outputs of double nc-Si/c-Si heterojunction MAGFETs with an L : W ratio of 4 : 1 are in series, their magnetic sensitivity is 22.74 mV/T, which is an improvement of about 64% compared with that of a single nc-Si/c-Si heterojunction MAGFET.

  15. Minimum bar size for flexure testing of irradiated SiC/SiC composite

    Energy Technology Data Exchange (ETDEWEB)

    Youngblood, G.E.; Jones, R.H. [Pacific Northwest National Lab., Richland, WA (United States)

    1998-03-01

    This report covers material presented at the IEA/Jupiter Joint International Workshop on SiC/SiC Composites for Fusion structural Applications held in conjunction with ICFRM-8, Sendai, Japan, Oct. 23-24, 1997. The minimum bar size for 4-point flexure testing of SiC/SiC composite recommended by PNNL for irradiation effects studies is 30 {times} 6 {times} 2 mm{sup 3} with a span-to-depth ratio of 10/1.

  16. Rh(III)/Cu(II)-cocatalyzed synthesis of 1H-indazoles through C-H amidation and N-N bond formation.

    Science.gov (United States)

    Yu, Da-Gang; Suri, Mamta; Glorius, Frank

    2013-06-19

    Substituted 1H-indazoles can be formed from readily available arylimidates and organo azides by Rh(III)-catalyzed C-H activation/C-N bond formation and Cu-catalyzed N-N bond formation. For the first time the N-H-imidates are demonstrated to be good directing groups in C-H activation, also capable of undergoing intramolecular N-N bond formation. The process is scalable and green, with O2 as the terminal oxidant and N2 and H2O formed as byproducts. Moreover, the products could be transformed to diverse important derivatives.

  17. Diacetoxyiodobenzene assisted C-O bond formation via sequential acylation and deacylation process: synthesis of benzoxazole amides and their mechanistic study by DFT.

    Science.gov (United States)

    Nahakpam, Lokendrajit; Chipem, Francis A S; Chingakham, Brajakishor S; Laitonjam, Warjeet S

    2016-08-10

    An efficient method for the transformation of N-substituted-N'-benzoylthioureas to substituted N-benzoxazol-2-yl-amides using diacetoxyiodobenzene (DIB) is described in this work. The transformation follows the C-O bond formation leading to the benzoxazole derivative, due to oxidative dehydrogenation by DIB, instead of the expected C-S bond formation of the benzothiazole moiety. The C-O bond formation leading to benzoxazole is due to consecutive acylation and deacylation in conjunction with the reduction of two moles of DIB. A plausible mechanism was proposed for the reaction and density functional calculations were also performed to study the reaction mechanism.

  18. NbC/Si multilayer mirror for next generation EUV light sources.

    Science.gov (United States)

    Modi, Mohammed H; Rai, S K; Idir, Mourad; Schaefers, F; Lodha, G S

    2012-07-02

    In the present study we report a new multilayer combination comprised of refracting layers of niobium carbide and spacer layers of silicon as a more stable and high reflecting combination for the 10 - 20 nm wavelength region. The reflectivity of the new combination is comparable to Mo/Si conventional mirrors. Annealing experiments carried out with NbC/Si multilayer at 600°C temperature showed a ~2.5% drop in the soft x-ray reflectivity along with a marginal contraction in the multilayer period length. The multilayer structure is found stable after the heat treatment. Crystallization of the niobium carbide and silicon layers is responsible for the compaction in the period length as revealed by the grazing incidence x-ray diffraction measurements. No signature of silicide formation or any other chemical species could be detected. The multilayer structures were grown by ion beam sputtering technique using a compound target of niobium carbide. Soft x-ray reflectivity measurements performed at the Indus-1 and BESSY-II synchrotron radiation sources are found in good agreement with the simulations.

  19. Doping and stability of 3C-SiC: from thinfilm to bulk growth

    DEFF Research Database (Denmark)

    Jokubavicius, V.; Sun, J.; Linnarsson, M. K.

    Cubic silicon carbide (3C-SiC) could pave the way for development of advanced electronic and optoelectronic devices. It could be an excellent substrate for growth of nitride and epitaxial graphene layers. Boron doped 3C-SiC films could reach up to 60% efficiency and pave the way for a new solar...... cell technology. Nitrogen and boron doped 3C-SiC layers can depict a new infrared LED. Hexagonal SiC is an excellent substrate for heteropeitaxial growth of 3C-SiC due to excellent compatibility in lattice constant and thermal expansion coefficient. However, the growth of 3C-SiC on such substrates...... is still being followed by a number of obstacles like polytype stabilization and high density of double positioning boundaries in the grown material. The polytype stability during epitaxial growth of doped 3C-SiC has not been explored. Consequently, the polytype stability during bulk growth of doped 3C...

  20. μc-Si:H(n)/c-Si(p)异质结太阳能电池性能的模拟研究%Simulation of the Performance of μc-Si: H(n)/c-Si(p) Heterojunction Solar Cell

    Institute of Scientific and Technical Information of China (English)

    吕雁文; 刘淑平; 聂慧军

    2015-01-01

    通过AFORS-HET软件分析了μc-Si:H(n)发射层,前后a-Si:H(i)本征层的厚度和带隙,对μc-Si:H(n)/a-Si:H (i)/c-Si(p)/a-Si:H(i)/μc-Si:H(p+)太阳能电池性能的影响.模拟得出a-Si:H(i)本征层通过钝化界面来提高太阳能电池的性能,同样μc-Si:H(p+)背场提高了电池的转换效率.μc-Si:H(n)发射层的厚度为6nm,带隙为1.6 eV;前后a-Si:H(i)本征层的厚度和带隙分别为3nm和1.6 eV,电池的性能达到最佳.此优化结果可以促进提高低成本高效率的太阳能电池技术.

  1. Synthesis of Oxygen Heterocycles via Aromatic C-O Bond Formation Using Arynes.

    Science.gov (United States)

    Miyabe, Hideto

    2015-07-09

    Most of the synthetic approaches to the benzo-fused heterocycles containing an oxygen atom have involved the use of phenol derivatives as a starting material. This review highlights the new synthetic approaches involving the aromatic C-O bond-forming process using arynes. The insertion of arynes into the C=O bond gives the unstable intermediates, [2 + 2] cycloaddition-type adducts, which can be easily converted into a variety of oxygen atom-containing heterocycles in a single operation. In this review, the syntheses of oxygen heterocycles, such as coumarin, chromene, xanthene, dihydrobenzofuran and benzofuran derivatives, via the insertion of arynes into the C=O bond of aldehydes or formamides are summarized.

  2. Synthesis of Oxygen Heterocycles via Aromatic C-O Bond Formation Using Arynes

    Directory of Open Access Journals (Sweden)

    Hideto Miyabe

    2015-07-01

    Full Text Available Most of the synthetic approaches to the benzo-fused heterocycles containing an oxygen atom have involved the use of phenol derivatives as a starting material. This review highlights the new synthetic approaches involving the aromatic C-O bond-forming process using arynes. The insertion of arynes into the C=O bond gives the unstable intermediates, [2 + 2] cycloaddition-type adducts, which can be easily converted into a variety of oxygen atom-containing heterocycles in a single operation. In this review, the syntheses of oxygen heterocycles, such as coumarin, chromene, xanthene, dihydrobenzofuran and benzofuran derivatives, via the insertion of arynes into the C=O bond of aldehydes or formamides are summarized.

  3. Effectiveness of Diffusion Barrier Coatings for Mo-Re Embedded in C/SiC and C/C

    Science.gov (United States)

    Glass, David E.; Shenoy, Ravi N.; Wang, Zeng-Mei; Halbig, Michael C.

    2001-01-01

    Advanced high-temperature cooling applications may often require the elevated-temperature capability of carbon/silicon carbide or carbon/carbon composites in combination with the hermetic capability of metallic tubes. In this paper, the effects of C/SiC and C/C on tubes fabricated from several different refractory metals were evaluated. Though Mo, Nb, and Re were evaluated in the present study, the primary effort was directed toward two alloys of Mo-Re, namely, arc cast Mo-41Re and powder metallurgy Mo-47.5Re. Samples of these refractory metals were subjected to either the PyC/SiC deposition or embedding in C/C. MoSi2(Ge), R512E, and TiB2 coatings were included on several of the samples as potential diffusion barriers. The effects of the processing and thermal exposure on the samples were evaluated by conducting burst tests, microhardness surveys, and scanning electron microscopic examination (using either secondary electron or back scattered electron imaging and energy dispersive spectroscopy). The results showed that a layer of brittle Mo-carbide formed on the substrates of both the uncoated Mo-41Re and the uncoated Mo-47.5Re, subsequent to the C/C or the PyC/SiC processing. Both the R512E and the MoSi2(Ge) coatings were effective in preventing not only the diffusion of C into the Mo-Re substrate, but also the formation of the Mo-carbides. However, none of the coatings were effective at preventing both C and Si diffusion without some degradation of the substrate.

  4. Effects of Preform Density on Structure and Property of C/C-SiC Composites Fabricated by Gaseous Silicon Infiltration

    Directory of Open Access Journals (Sweden)

    CAO Yu

    2016-07-01

    Full Text Available The 3-D needled C/C preforms with different densities deposited by chemical vapor infiltration (CVI method were used to fabricate C/C-SiC composites by gaseous silicon infiltration (GSI. The porosity and CVI C thickness of the preforms were studied, and the effects of preform density on the mechanical and thermal properties of C/C-SiC composites were analyzed. The results show that with the increase of preform density, the preform porosity decreases and the CVI C thickness increases from several hundred nanometers to several microns. For the C/C-SiC composites, as the preform density increases, the residual C content increases while the density and residual Si content decreases. The SiC content first keeps at a high level of about 40% (volume fraction, which then quickly reduces. Meanwhile, the mechanical properties increase to the highest values when the preform density is 1.085g/cm3, with the flexure strength up to 308.31MP and fracture toughness up to 11.36MPa·m1/2, which then decrease as the preform density further increases. The thermal conductivity and CTE of the composites, however, decrease with the increase of preform density. It is found that when the preform porosity is too high, sufficient infiltration channels lead to more residual Si, and thinner CVI C thickness results in the severe corrosion of the reinforcing fibers by Si and lower mechanical properties. When the preform porosity is relatively low, the contents of Si and SiC quickly reduce since the infiltration channels are rapidly blocked, resulting in the formation of large closed pores and not high mechanical properties.

  5. Formation of Me–O–Si covalent bonds at the interface between polysilazane and stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    Amouzou, Dodji, E-mail: adodji@gmail.com [Research Centre in Physics of Matter and Radiation (PMR), University of Namur, Rue de Bruxelles 61, 5000 Namur (Belgium); Fourdrinier, Lionel; Maseri, Fabrizio [CRM-Group, Boulevard de Colonster, B 57, 4000 Liège (Belgium); Sporken, Robert [Research Centre in Physics of Matter and Radiation (PMR), University of Namur, Rue de Bruxelles 61, 5000 Namur (Belgium)

    2014-11-30

    Highlights: • Natural metal-oxides, hydroxides are detected on the top surface of steel substrates we tested. • Polysilazane reacts with hydroxide functional groups on steel substrates to form Cr–O–Si and Fe–O–Si covalent bonds. • Covalent bonding between steel and polysilazane at the interface was probed using spectroscopic techniques. - Abstract: In earlier works, we demonstrated the potential of polysilazane (PSZ) coatings for a use as insulating layers in Cu(In,Ga)Se{sub 2} (CIGS) solar cells prepared on steels substrates and showed a good adhesion between PSZ coatings and both AISI316 and AISI430 steels. In the present paper, spectroscopic techniques are used to elucidate the reason of such adhesion. X-ray Photoelectron Spectroscopy (XPS) was used to investigate surfaces for the two steel substrates and showed the presence of metal oxides and metal hydroxides at the top surface. XPS has been also used to probe interfaces between substrates and PSZ, and metallosiloxane (Me–O–Si) covalent bonds have been detected. These results were confirmed by Infra-Red Reflection Absorption Spectroscopy (IRRAS) analyses since vibrations related to Cr–O–Si and Fe–O–Si compounds were detected. Thus, the good adhesion between steel substrates and PSZ coatings was explained by covalent bonding through chemical reactions between PSZ precursors and hydroxide functional groups present on top surface of the two types of steel. Based on these results, an adhesion mechanism between steel substrates and PSZ coatings is proposed.

  6. Reusable ionic liquid-catalyzed oxidative coupling of azoles and benzylic compounds via sp(3) C-N bond formation under metal-free conditions.

    Science.gov (United States)

    Liu, Wenbo; Liu, Chenjiang; Zhang, Yonghong; Sun, Yadong; Abdukadera, Ablimit; Wang, Bin; Li, He; Ma, Xuecheng; Zhang, Zengpeng

    2015-07-14

    The heterocyclic ionic liquid-catalyzed direct oxidative amination of benzylic sp(3) C-H bonds via intermolecular sp(3) C-N bond formation for the synthesis of N-alkylated azoles under metal-free conditions is reported for the first time. The catalyst 1-butylpyridinium iodide can be recycled and reused with similar efficacies for at least eight cycles.

  7. Effect of hydrogen bonding and hydrophobic interaction on the formation of supramolecular hydrogels formed by L-phenylalanine derivative hydrogelator

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A new hydrogelator, pyridinium bromide salt of N-6-bromohexanoyl-L-phenylamino octadecane, was synthesized. Supramolecular hydrogels can be formed through the self-assembly of this hydrogelator in water. In this work, D2O was used instead of H2O as solvent for FT-IR measurement due to the fact that it is impossible to obtain useful FT-IR information on the hydrogen bonding in water. The investigation of FT-IR and steady-state fluorescence indicated that the driving forces for the self-assembly were mainly hydrogen bonding and hydrophobic interaction. Based on the data of XRD and molecular modeling, the possible mechanism of the formation of hydrogelator aggregates was proposed.

  8. Computational assessment of electron density in metallo-organic nickel pincer complexes for formation of PC bonds.

    Science.gov (United States)

    Eller, Joshua J; Downey, Karen

    2015-10-05

    Hydrophosphination is an atomically efficient method for introducing new carbon-phosphorous bonds in organic synthesis. New late-transition metal catalytic complexes are proposed to facilitate this process. These nickel-based complexes are analyzed using semiempirical (SE), Hartree-Fock (H-F), and density functional theory (DFT) models. H-F proves to be ineffective, while the SE approach has limited, qualitative use. DFT shows electron density at the metal center suitable for catalyzing bond formation in the proposed, reductive hydrophosphination mechanism. It also shows that the pincer complexes under investigation are relatively insensitive to solvent dielectric constant and to the chemical character of the monodentate ligand, both in terms of electron distribution and in terms of molecular orbital energies.

  9. Carbon-Carbon Bond Formation in a Weak Ligand Field: Leveraging Open Shell First Row Transition Metal Catalysts.

    Science.gov (United States)

    Chirik, Paul James

    2017-01-12

    Unique features of Earth abundant transition metal catalysts are reviewed in the context of catalytic carbon-carbon bond forming reactions. Aryl-substituted bis(imino)pyridine iron and cobalt dihalide compounds, when activated with alkyl aluminum reagents, form highly active catalysts for the polymerization of ethylene. Open shell iron and cobalt alkyl complexes have been synthesized that serve as single component olefin polymerization catalysts. Reduced bis(imino)pyridine iron- and cobalt dinitrogen compounds have also been discovered that promote the unique [2+2] cycloaddition of unactivated terminal alkenes. Electronic structure studies support open shell intermediates, a deviation from traditional strong field organometallic compounds that promote catalytic C-C bond formation.

  10. 多孔C/SiC复合材料的制备及其性能%Fabrication and properties of porous C/SiC composites

    Institute of Scientific and Technical Information of China (English)

    吉洪亮; 张长瑞; 周新贵; 曹英斌

    2011-01-01

    Preforms made of carbon fibers and sacrificial tungsten fibers as a pore forming agent were repeatedly infiltrated with polycarbosilane and pyrolysed for 14 cycles, followed by aqua regia leaching to remove the tungsten fibers to form porous C/SiC composites. The pore structure, mechanical properties and permeability of the porous C/SiC composites to water and kerosene were respectively studied by a scanning electron microscope,a universal materials testing machine and home-made permeation equipment based on a fluid flow model in capillaries. Results showed that the pores of the porous C/SiC composites were mostly straight and that the open porosity can be controlled by the volume fraction of tungsten fibers used. The bend strength , Young's modulus and fracture toughness were 358 MPa, 124 GPa and 16. 7 MPa·m1/2 respectively when the open porosity of the composite was 23. 5% . The fluids permeated through the porous C/SiC composites by linear laminar flow( the osmosis rate value is 1. 02×10-3 mm2 ) . The composites exhibited tough fracture behavior and the presence of pores didn't lead to a significant deterioration of their mechanical properties.%以W丝作为成孔剂,采用孔隙预置技术制备了发汗多孔C/SiC复合材料,对其孔隙结构进行表征,研究了材料的力学性能和渗透行为.结果表明:采用孔隙预置技术能够有效的控制多孔C/SiC材料开孔率和孔隙结构,其孔隙主要由W丝去除后形成的直通孔组成,开孔率决定于W丝的体积含量,所制备的材料具有良好的力学性能和渗透性能.其弯曲强度达到358 MPa、弯曲模量达到124 GPa,断裂韧性达到16.7 MPa·m1/2,空隙率为23.5%,渗透率为1.02×10-3mm2,材料表现为韧性断裂模式,其孔隙的存在并没有对材料的力学性能产生明显的影响.

  11. On the interplay between Si(110) epilayer atomic roughness and subsequent 3C-SiC growth direction

    Science.gov (United States)

    Khazaka, Rami; Michaud, Jean-François; Vennéguès, Philippe; Nguyen, Luan; Alquier, Daniel; Portail, Marc

    2016-11-01

    In this contribution, we performed the growth of a 3C-SiC/Si/3C-SiC layer stack on a Si(001) substrate by means of chemical vapor deposition. We show that, by tuning the growth conditions, the 3C-SiC epilayer can be grown along either the [111] direction or the [110] direction. The key parameter for the growth of the desired 3C-SiC orientation on the Si(110)/3C-SiC(001)/Si(001) heterostructure is highlighted and is linked to the Si epilayer surface morphology. The epitaxial relation between the layers has been identified using X-ray diffraction and transmission electron microscopy (TEM). We showed that, regardless of the top 3C-SiC epilayer orientation, domains rotated by 90° around the growth direction are present in the epilayer. Furthermore, the difference between the two 3C-SiC orientations was investigated by means of high magnification TEM. The results indicate that the faceted Si(110) epilayer surface morphology results in a (110)-oriented 3C-SiC epilayer, whereas a flat hetero-interface has been observed between 3C-SiC(111) and Si(110). The control of the top 3C-SiC growth direction can be advantageous for the development of new micro-electro-mechanical systems.

  12. CVD growth of (001) and (111)3C-SiC epilayers and their interface reactivity with pradeodymium oxide dielectric layers

    Energy Technology Data Exchange (ETDEWEB)

    Sohal, R.

    2006-07-24

    In this work, growth and characterisation of 3C-SiC thin films, investigation of oxidation of thus prepared layers and Pr-silicate and AlON based interface with SiC have been studied. Chemical vapor deposition of 3C-SiC thin films on Si(001) and Si(111) substrates has been investigated. Prior to the actual SiC growth, preparation of initial buffer layers of SiC was done. Using such a buffer layer, epitaxial growth of 3C-SiC has been achieved on Si(111) and Si(001) substrates. The temperature of 1100 C and 1150 C has been determined to be the optimal temperature for 3C-SiC growth on Si (111) and Si(001) substrates respectively. The oxidation studies on SiC revealed that a slow oxidation process at moderate temperatures in steps was useful in reducing and suppressing the g-C at the SiO{sub 2}/SiC interface. Clean, graphite-free SiO{sub 2} has been successfully grown on 3C-SiC by silicon evaporation and UHV anneal. For the application of high-k Pr{sub 2}O{sub 3} on silicon carbide, plausible interlayer, Pr-Silicate and AlON, have been investigated. Praseodymium silicate has been prepared successfully completely consuming the SiO2 and simultaneously suppressing the graphitic carbon formation. A comparatively more stable interlayer using AlON has been achieved. This interlayer mainly consists of stable phases of AlN along with some amount of Pr-aluminates and CN. Such layers act as a reaction barrier between Pr{sub 2}O{sub 3} and SiC, and simultaneously provide higher band offsets. (orig.)

  13. 数值模拟提高μc-Si:H(n)/c-Si(p)异质结太阳能电池的界面载流子传输质量%Numerical Simulations for Improving the Interface Carries Transport Quality of μc-Si:H(n)/c-Si(p) Heterojunction Solar Cell

    Institute of Scientific and Technical Information of China (English)

    吕雁文; 刘淑平; 聂慧军

    2015-01-01

    通过使用AFORS-HET软件模拟透明导电膜(TCO)的功函数对能带结构的影响,以及能带失配的影响,载流子的运动和分布来分析和讨论界面处载流子传输性能.结果表明界面处的能带失配和透明导电膜的功函数强烈的影响载流子的传输质量和太阳能电池的性能.当导带失配在μc-Si:H(n)/c-Si(p)界面低于0.3eV,透明导电膜的功函数在TCO/μc-Si:H(n)界面低于4.3eV并且导带失配在c-Si(p)/BSF界面为0.25eV时,模拟具有纹理结构的TCO/μc-Si:H(n)/a-Si:H(i)/c-Si(p)/a-Si:H(i)/μc-Si: H(p+)/TCO太阳能电池的Voc为775mV,Jsc为42.03mA/cm2,FF为75%,而效率达到了24.43%.这说明进一步深入的理解太阳能电池的界面传输机理可以提高太阳能电池界面载流子传输质量和电池效率.

  14. Directing Group in Decarboxylative Cross-Coupling: Copper-Catalyzed Site-Selective C-N Bond Formation from Nonactivated Aliphatic Carboxylic Acids.

    Science.gov (United States)

    Liu, Zhao-Jing; Lu, Xi; Wang, Guan; Li, Lei; Jiang, Wei-Tao; Wang, Yu-Dong; Xiao, Bin; Fu, Yao

    2016-08-03

    Copper-catalyzed directed decarboxylative amination of nonactivated aliphatic carboxylic acids is described. This intramolecular C-N bond formation reaction provides efficient access to the synthesis of pyrrolidine and piperidine derivatives as well as the modification of complex natural products. Moreover, this reaction presents excellent site-selectivity in the C-N bond formation step through the use of directing group. Our work can be considered as a big step toward controllable radical decarboxylative carbon-heteroatom cross-coupling.

  15. Size effects in tin-based lead-free solder joints: Kinetics of bond formation and mechanical characteristics

    Science.gov (United States)

    Abdelhadi, Ousama Mohamed Omer

    Continuous miniaturization of microelectronic interconnects demands smaller joints with comparable microstructural and structural sizes. As the size of joints become smaller, the volume of intermetallics (IMCs) becomes comparable with the joint size. As a result, the kinetics of bond formation changes and the types and thicknesses of IMC phases that form within the constrained region of the bond varies. This dissertation focuses on investigating combination effects of process parameters and size on kinetics of bond formation, resulting microstructure and the mechanical properties of joints that are formed under structurally constrained conditions. An experiment is designed where several process parameters such as time of bonding, temperature, and pressure, and bond thickness as structural chracteristic, are varied at multiple levels. The experiment is then implemented on the process. Scanning electron microscope (SEM) is then utilized to determine the bond thickness, IMC phases and their thicknesses, and morphology of the bonds. Electron backscatter diffraction (EBSD) is used to determine the grain size in different regions, including the bulk solder, and different IMC phases. Physics-based analytical models have been developed for growth kinetics of IMC compounds and are verified using the experimental results. Nanoindentation is used to determine the mechanical behavior of IMC phases in joints in different scales. Four-point bending notched multilayer specimen and four-point bending technique were used to determine fracture toughness of the bonds containing IMCs. Analytical modeling of peeling and shear stresses and fracture toughness in tri-layer four-point bend specimen containing intermetallic layer was developed and was verified and validated using finite element simulation and experimental results. The experiment is used in conjunction with the model to calculate and verify the fracture toughness of Cu6Sn5 IMC materials. As expected two different IMC phases

  16. Oxidation mechanisms and kinetics of 1D-SiC/C/SiC composite materials; 1: An experimental approach

    Energy Technology Data Exchange (ETDEWEB)

    Filipuzzi, L.; Camus, G.; Naslain, R. (Domaine Univ., Pessac (France). Lab. des Composites Thermostructuraux); Thebault, J. (Societe Europeenne de Propulsion, Saint Medard en Jalles (France))

    1994-02-01

    The oxidation of unidirectional SiC/C/SiC model composites has been investigated through thermogravimetric analysis, optical/electron microscopy, and electrical measurements. The influence of temperature and carbon interphase thickness on the oxidation of the composites is discussed. The oxidation involves three phenomena: (1) reaction of oxygen with the carbon interphase resulting in pores around the fibers, (2) diffusion of oxygen and carbon oxides along the pores, and (3) reaction of oxygen with the pore walls leading to the growth of silica layers on both the fibers and matrix. In composites with a thin carbon interphase treated at T > 1,000 C the pores are rapidly sealed by silica. Under such conditions, the oxidation damages are limited to the vicinity of the external surface and the materials exhibit a self-healing character. Conversely, long exposures at 900 C give rise to the formation of microcracks in the matrix related to mechanical stresses arising from the in situ SiC/SiO[sub 2] conversion. Finally, the self-heating character is not observed in composites with a thick interphase since carbon is totally consumed before silica can seal the pores.

  17. Electrical Resistance of SiC/SiC Ceramic Matrix Composites for Damage Detection and Life-Prediction

    Science.gov (United States)

    Smith, Craig; Morscher, Gregory; Xia, Zhenhai

    2009-01-01

    Ceramic matrix composites (CMC) are suitable for high temperature structural applications such as turbine airfoils and hypersonic thermal protection systems due to their low density high thermal conductivity. The employment of these materials in such applications is limited by the ability to accurately monitor and predict damage evolution. Current nondestructive methods such as ultrasound, x-ray, and thermal imaging are limited in their ability to quantify small scale, transverse, in-plane, matrix cracks developed over long-time creep and fatigue conditions. CMC is a multifunctional material in which the damage is coupled with the material s electrical resistance, providing the possibility of real-time information about the damage state through monitoring of resistance. Here, resistance measurement of SiC/SiC composites under mechanical load at both room temperature monotonic and high temperature creep conditions, coupled with a modal acoustic emission technique, can relate the effects of temperature, strain, matrix cracks, fiber breaks, and oxidation to the change in electrical resistance. A multiscale model can in turn be developed for life prediction of in-service composites, based on electrical resistance methods. Results of tensile mechanical testing of SiC/SiC composites at room and high temperatures will be discussed. Data relating electrical resistivity to composite constituent content, fiber architecture, temperature, matrix crack formation, and oxidation will be explained, along with progress in modeling such properties.

  18. Effects of Cluster Size on Platinum-Oxygen Bonds Formation in Small Platinum Clusters

    Science.gov (United States)

    Oemry, Ferensa; Padama, Allan Abraham B.; Kishi, Hirofumi; Kunikata, Shinichi; Nakanishi, Hiroshi; Kasai, Hideaki; Maekawa, Hiroyoshi; Osumi, Kazuo; Sato, Kaoru

    2012-03-01

    We present the results of density functional theory calculation in oxygen dissociative adsorption process on two types of isolated platinum (Pt) clusters: Pt4 and Pt10, by taking into account the effect of cluster reconstruction. The strength of Pt-Pt bonds in the clusters is mainly defined by d-d hybridization and interstitial bonding orbitals (IBO). Oxygen that adsorbed on the clusters is weakening the IBO and thus inducing geometry reconstruction as occurred in Pt10 cluster. However, cluster that could undergo structural deformation is found to promote oxygen dissociation with no energy barrier. The details show that maintaining well-balanced of attractive and repulsive (Hellmann-Feynman) forces between atoms is considered to be the main key to avoid any considerable rise of energy barrier. Furthermore, a modest energy barrier that gained in Pt4 cluster is presumed to be originate from inequality of intramolecular forces between atoms.

  19. Disulfide bond formation and folding of plant peroxidases expressed as inclusion body protein in Escherichia coli thioredoxin reductase negative strains

    DEFF Research Database (Denmark)

    Teilum, K; Ostergaard, L; Welinder, K G

    1999-01-01

    , two Ca2+ ions, and a heme group. We have studied the expression yield and folding efficiency of (i) a novel Arabidopsis thaliana peroxidase, ATP N; and (ii) barley grain peroxidase, BP 1. The expression yield ranges from 0 to 60 microgram/ml of cell culture depending on the peroxidase gene...... and the vector/host combination. The choice of E. coli strain in particular affects the yield of active peroxidase obtained in the folding step. Thus, the yield of active ATP N peroxidase can be increased 50-fold by using thioredoxin reductase negative strains, which facilitate the formation of disulfide bonds...

  20. Assessment of covalent bond formation between coupling agents and wood by FTIR spectroscopy and pull strength tests

    DEFF Research Database (Denmark)

    Rasmussen, Jonas Stensgaard; Barsberg, Søren Talbro; Venås, Thomas Mark

    2014-01-01

    In the focus was the question whether metal alkoxide coupling agents – titanium, silane, and zirconium – form covalent bonds to wood and how they improve coating adhesion. In a previous work, a downshift of the lignin infrared (IR) band ∼1600 cm-1 was shown to be consistent with the formation...... of ether linkages between lignin and titanium coupling agent. In the present work, changes were found in the attenuated total reflectance-Fourier transform IR (ATR-FTIR) spectra of lignin and wood mixed with silane, and titanium coupling agents, and to a lesser extent for a zirconium coupling agent...

  1. Total synthesis of feglymycin based on a linear/convergent hybrid approach using micro-flow amide bond formation

    Science.gov (United States)

    Fuse, Shinichiro; Mifune, Yuto; Nakamura, Hiroyuki; Tanaka, Hiroshi

    2016-11-01

    Feglymycin is a naturally occurring, anti-HIV and antimicrobial 13-mer peptide that includes highly racemizable 3,5-dihydroxyphenylglycines (Dpgs). Here we describe the total synthesis of feglymycin based on a linear/convergent hybrid approach. Our originally developed micro-flow amide bond formation enabled highly racemizable peptide chain elongation based on a linear approach that was previously considered impossible. Our developed approach will enable the practical preparation of biologically active oligopeptides that contain highly racemizable amino acids, which are attractive drug candidates.

  2. Tuning the colors of c-Si solar cells by exploiting plasmonic effects

    Science.gov (United States)

    Peharz, G.; Grosschädl, B.; Prietl, C.; Waldhauser, W.; Wenzl, F. P.

    2016-09-01

    The color of a crystalline silicon (c-Si) solar cell is mainly determined by its anti-reflective coating. This is a lambda/4 coating made from a transparent dielectric material. The thickness of the anti-reflective coating is optimized for maximal photocurrent generation, resulting in the typical blue or black colors of c-Si solar cells. However, for building-integrated photovoltaic (BiPV) applications the color of the solar cells is demanded to be tunable - ideally by a cheap and flexible coating process on standard (low cost) c-Si solar cells. Such a coating can be realized by applying plasmonic coloring which is a rapidly growing technology for high-quality color filtering and rendering for different fields of application (displays, imaging,…). In this contribution, we present results of an approach for tuning the color of standard industrial c-Si solar cells that is based on coating them with metallic nano-particles. In particular, thin films (green and brownish/red. The position of the resonance peak in the reflection spectrum was found to be almost independent from the angle of incidence. This low angular sensitivity is a clear advantage compared to alternative color tuning methods, for which additional dielectric thin films are deposited on c-Si solar cells.

  3. Path-integral molecular dynamics simulation of 3C-SiC

    Science.gov (United States)

    Ramírez, Rafael; Herrero, Carlos P.; Hernández, Eduardo R.; Cardona, Manuel

    2008-01-01

    Molecular dynamics simulations of 3C-SiC have been performed as a function of pressure and temperature. These simulations treat both electrons and atomic nuclei by quantum mechanical methods. While the electronic structure of the solid is described by an efficient tight-binding Hamiltonian, the nuclei dynamics is treated by the path-integral formulation of statistical mechanics. To assess the relevance of nuclear quantum effects, the results of quantum simulations are compared to others where either the Si nuclei, the C nuclei, or both atomic nuclei are treated as classical particles. We find that the experimental thermal expansion of 3C-SiC is realistically reproduced by our simulations. The calculated bulk modulus of 3C-SiC and its pressure derivative at room temperature show also good agreement with the available experimental data. The effect of the electron-phonon interaction on the direct electronic gap of 3C-SiC has been calculated as a function of temperature and related to results obtained for bulk diamond and Si. Comparison to available experimental data shows satisfactory agreement, although we observe that the employed tight-binding model tends to overestimate the magnitude of the electron-phonon interaction. The effect of treating the atomic nuclei as classical particles on the direct gap of 3C-SiC has been assessed. We find that nonlinear quantum effects related to the atomic masses are particularly relevant at temperatures below 250K .

  4. High thermal conductivity SiC/SiC composites for fusion applications

    Energy Technology Data Exchange (ETDEWEB)

    Withers, J.C.; Kowbel, W.; Loutfy, R.O. [MER Corp., Tucson, AZ (United States)] [and others

    1997-04-01

    SiC/SiC composites are considered for fusion applications due to their neutron irradiation stability, low activation, and good mechanical properties at high temperatures. The projected magnetic fusion power plant first wall and the divertor will operate with surface heat flux ranges of 0.5 to 1 and 4 to 6 MW/m{sup 2}, respectively. To maintain high thermal performance at operating temperatures the first wall and divertor coolant channels must have transverse thermal conductivity values of 5 to 10 and 20 to 30 W/mK, respectively. For these components exposed to a high energy neutron flux and temperatures perhaps exceeding 1000{degrees}C, SiC/SiC composites potentially can meet these demanding requirements. The lack of high-purity SiC fiber and a low through-the-thickness (transverse) thermal conductivity are two key technical problems with currently available SiC/SiC. Such composites, for example produced from Nicalon{trademark} fiber with a chemical vapor infiltrated (CVI) matrix, typically exhibit a transverse conductivity value of less than 8 W/mK (unirradiated) and less than 3 W/mK after neutron irradiation at 800{degrees}C. A new SiC/SiC composite fabrication process has been developed at MER Corp. This paper describes this process, and the thermal and mechanical properties which are observed in this new composite material.

  5. A quantum-chemical validation about the formation of hydrogen bonds and secondary interactions in intermolecular heterocyclic systems

    Directory of Open Access Journals (Sweden)

    Boaz Galdino Oliveira

    2009-08-01

    Full Text Available We have performed a detailed theoretical study in order to understand the charge density topology of the C2H4O···C2H2 and C2H4S···C2H2 heterocyclic hydrogen-bonded complexes. Through the calculations derived from Quantum Theory of Atoms in Molecules (QTAIM, it was observed the formation of hydrogen bonds and secondary interactions. Such analysis was performed through the determination of optimized geometries at B3LYP/6-31G(d,p level of theory, by which is that QTAIM topological operators were computed, such as the electronic density ρ(r, Laplacian Ñ2ρ(r, and ellipticity ε. The examination of the hydrogen bonds has been performed through the measurement of ρ(r, Ñ2ρ(r and ε between (O···H—C and (S···H—C, whereas the secondary interaction between axial hydrogen atoms Hα and carbon of acetylene. In this insight, it was verified the existence of secondary interaction only in C2H4S···C2H2 complex because its structure is propitious to form multiple interactions.

  6. Ab initioelectron paramagnetic resonance study of 3C-SiC/SiO2 interfaces in SiC-nanofiber based solar cells

    Science.gov (United States)

    Nugraha, Taufik Adi; Gerstmann, Uwe; Schmidt, Wolfgang Gero; Wippermann, Stefan

    Semiconducting nanocomposites, e. g. hybrid materials based on inorganic semiconducting 3C-SiC nanofibers and organic surfactants, provide genuinely novel pathways to exceed the Shockley-Queisser limit for solar energy conversion. The synthesis of such functionalized fibers can be performed completely using only inexpensive wet chemical solution processing. During synthesis a thin passivation layer is introduced between the SiC-fiber and surfactants, e. g. the native oxide, whose atomistic details are poorly understood. In this study, we utilize unpaired spins in interfacial defects to probe the local chemical environment with ab initio EPR (Electron Paramagnetic Resonance) calculations, which can be directly compared to experiment. Considering a wide variety of possible interfacial structures, a grand canonical approach is used to generate a phase diagram of the 3C-SiC/SiO2 interface as a function of the chemical potentials of Si, O and H, to provide favorable interfacial structures for g-tensor calculations. This study provides directions about specific types of interfacial defects and their impact on the electronic properties of the interface. The authors wish to thank S. Greulich-Weber for helpful discussions. S. W. acknowledges BMBF NanoMatFutur Grant No. 13N12972.

  7. Synthesis of 1,2,4-Triazoles via Oxidative Heterocyclization: Selective C-N Bond Over C-S Bond Formation.

    Science.gov (United States)

    Gogoi, Anupal; Guin, Srimanta; Rajamanickam, Suresh; Rout, Saroj Kumar; Patel, Bhisma K

    2015-09-18

    The higher propensity of C-N over C-S bond forming ability was demonstrated, through formal C-H functionalization during the construction of 4,5-disubstituted 1,2,4-triazole-3-thiones from arylidenearylthiosemicarbazides catalyzed by Cu(II). However, steric factors imparted by the o-disubstituted substrates tend to change the reaction path giving thiodiazole as the major or an exclusive product. Upon prolonging the reaction time, the in situ generated thiones are transformed to 4,5-disubstituted 1,2,4-triazoles via a desulfurization process. Two classes of heterocycles viz. 4,5-disubstituted 1,2,4-triazole-3-thiones and 4,5-disubstituted 1,2,4-triazoles can be synthesized from arylidenearylthiosemicarbazides by simply adjusting the reaction time. Desulfurization of 1,2,4-triazole-3-thiones is assisted by thiophilic Cu to provide 1,2,4-triazoles with concomitant formation of CuS and polynuclear sulfur anions as confirmed from scanning electron microscope and energy dispersive X-ray spectroscopy measurements. A one-pot synthesis of an antimicrobial compound has been successfully achieved following this strategy.

  8. The first chiral diene-based metal-organic frameworks for highly enantioselective carbon-carbon bond formation reactions

    Energy Technology Data Exchange (ETDEWEB)

    Sawano, Takahiro; Ji, Pengfei; McIsaac, Alexandra R.; Lin, Zekai; Abney, Carter W.; Lin, Wenbin [UC

    2016-02-01

    We have designed the first chiral diene-based metal–organic framework (MOF), E₂-MOF, and postsynthetically metalated E₂-MOF with Rh(I) complexes to afford highly active and enantioselective single-site solid catalysts for C–C bond formation reactions. Treatment of E₂-MOF with [RhCl(C₂H₄)₂]₂ led to a highly enantioselective catalyst for 1,4-additions of arylboronic acids to α,β-unsaturated ketones, whereas treatment of E₂-MOF with Rh(acac)(C₂H₄)₂ afforded a highly efficient catalyst for the asymmetric 1,2-additions of arylboronic acids to aldimines. Interestingly, E₂-MOF·Rh(acac) showed higher activity and enantioselectivity than the homogeneous control catalyst, likely due to the formation of a true single-site catalyst in the MOF. E₂-MOF·Rh(acac) was also successfully recycled and reused at least seven times without loss of yield and enantioselectivity.

  9. Bile salt-induced intermolecular disulfide bond formation activates Vibrio cholerae virulence.

    Science.gov (United States)

    Yang, Menghua; Liu, Zhi; Hughes, Chambers; Stern, Andrew M; Wang, Hui; Zhong, Zengtao; Kan, Biao; Fenical, William; Zhu, Jun

    2013-02-01

    To be successful pathogens, bacteria must often restrict the expression of virulence genes to host environments. This requires a physical or chemical marker of the host environment as well as a cognate bacterial system for sensing the presence of a host to appropriately time the activation of virulence. However, there have been remarkably few such signal-sensor pairs identified, and the molecular mechanisms for host-sensing are virtually unknown. By directly applying a reporter strain of Vibrio cholerae, the causative agent of cholera, to a thin layer chromatography (TLC) plate containing mouse intestinal extracts, we found two host signals that activate virulence gene transcription. One of these was revealed to be the bile salt taurocholate. We then show that a set of bile salts cause dimerization of the transmembrane transcription factor TcpP by inducing intermolecular disulfide bonds between cysteine (C)-207 residues in its periplasmic domain. Various genetic and biochemical analyses led us to propose a model in which the other cysteine in the periplasmic domain, C218, forms an inhibitory intramolecular disulfide bond with C207 that must be isomerized to form the active C207-C207 intermolecular bond. We then found bile salt-dependent effects of these cysteine mutations on survival in vivo, correlating to our in vitro model. Our results are a demonstration of a mechanism for direct activation of the V. cholerae virulence cascade by a host signal molecule. They further provide a paradigm for recognition of the host environment in pathogenic bacteria through periplasmic cysteine oxidation.

  10. Regio-selectivity of the Oxidative C-S Bond Formation in Ergothioneine and Ovothiol Biosyntheses

    Science.gov (United States)

    Song, Heng; Leninger, Maureen; Lee, Norman

    2014-01-01

    Ergothioneine (5) and ovothiol (8) are two novel thiol-containing natural products. Their C-S bonds are formed by oxidative coupling reactions catalyzed by EgtB and OvoA enzymes, respectively. In this work, it was discovered that besides catalyzing the oxidative coupling between histidine and cysteine (1 → 6 conversion), OvoA can also catalyze a direct oxidative coupling between hercynine (2) and cysteine (2 → 4 conversion), which can shorten the ergothioneine biosynthetic pathway by two steps. PMID:24016264

  11. Regioselectivity of the oxidative C-S bond formation in ergothioneine and ovothiol biosyntheses.

    Science.gov (United States)

    Song, Heng; Leninger, Maureen; Lee, Norman; Liu, Pinghua

    2013-09-20

    Ergothioneine (5) and ovothiol (8) are two novel thiol-containing natural products. Their C-S bonds are formed by oxidative coupling reactions catalyzed by EgtB and OvoA enzymes, respectively. In this work, it was discovered that in addition to catalyzing the oxidative coupling between histidine and cysteine (1 → 6 conversion), OvoA can also catalyze a direct oxidative coupling between hercynine (2) and cysteine (2 → 4 conversion), which can shorten the ergothioneine biosynthetic pathway by two steps.

  12. Instantaneous carbon-carbon bond formation using a microchannel reactor with a catalytic membrane.

    Science.gov (United States)

    Uozumi, Yasuhiro; Yamada, Yoichi M A; Beppu, Tomohiko; Fukuyama, Naoshi; Ueno, Masaharu; Kitamori, Takehiko

    2006-12-20

    Instantaneous catalytic carbon-carbon bond forming reactions were achieved in a microchannel reactor having a polymeric palladium complex membrane. The catalytic membrane was constructed inside the microchannel via self-assembling complexation at the interface between the organic and aqueous phases flowing laminarly, where non-cross-linked polymer-bound phosphine and ammonium tetrachloropalladate dissolved, respectively. A palladium-catalyzed coupling reaction of aryl halides and arylboronic acids was performed using the microchannel reactor to give quantitative yields of biaryls within 4 s of retention time in the defined channel region.

  13. Formation and densification of SiAlON materials by reaction bonding and silicothermal reduction routes

    Science.gov (United States)

    Rouquié, Yann; Jones, Mark I.

    2011-05-01

    Samples of β and O-sialon with different levels of substitution (i.e. z = 1 and 4 for β-sialon and x = 0.05 and 0.2 for O-sialon) have been synthesized by both reaction bonding and silicothermal reduction techniques in a nitrogen atmosphere. The possibility of obtaining dense sialon materials by these lower cost production methods has been investigated using a statistical design methodology. The influence of different parameters (temperature, gas pressure and additive type) on the densification and decomposition has been studied and will be discussed in this presentation.

  14. Formation and densification of SiAlON materials by reaction bonding and silicothermal reduction routes

    Energy Technology Data Exchange (ETDEWEB)

    Rouquie, Yann; Jones, Mark I, E-mail: yrou002@aucklanduni.ac.nz [Department of Material and Chemicals Engineering, University of Auckland, New Zealand Private bag 92019, Auckland Mail Center, Auckland, 1142 (New Zealand)

    2011-05-15

    Samples of {beta} and O-sialon with different levels of substitution (i.e. z = 1 and 4 for {beta}-sialon and x = 0.05 and 0.2 for O-sialon) have been synthesized by both reaction bonding and silicothermal reduction techniques in a nitrogen atmosphere. The possibility of obtaining dense sialon materials by these lower cost production methods has been investigated using a statistical design methodology. The influence of different parameters (temperature, gas pressure and additive type) on the densification and decomposition has been studied and will be discussed in this presentation.

  15. Failure wave motion of 3D-C/SiC composites subjected to shock compression

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The response and failure behavior of 3D-C/SiC composites subjected to shock compression have been experimentally studied.With the help of a one-stage light gas gun,the 3D-C/SiC composite samples,which are subjected to the plane shock compression by LY-12 aluminum flyer sheets with different speeds become available.Based on the analysis of observation for the curve of pressure vs time,which has been measured from the tests as well as from the samples,it is found that when the shock speed is larger than a critical value,the material of 3D-C/SiC will be comminuted and the failure surface will move from the shock plane to its inward direction in the waveform.

  16. Light absorption mechanism in single c-Si (core)/a-Si (shell) coaxial nanowires.

    Science.gov (United States)

    Liu, W F; Oh, J I; Shen, W Z

    2011-03-25

    We have carried out detailed investigations on the light absorption mechanism in single crystalline silicon (c-Si) (core)/amorphous Si (a-Si) (shell) coaxial nanowires (NWs). Based on the Lorenz-Mie light scattering theory, we have found that the light absorption in the coaxial NWs relies on the leaky mode resonances and that the light absorption can be optimized towards photovoltaic applications when the a-Si shell thickness is about twice the c-Si core radius. The photocurrent has been found to be enhanced up to ∼ 560% compared to c-Si NWs, and to be further enhanced up to ∼ 60% by coating the nonabsorbing dielectric shells.

  17. High-temperature protective coatings for C/SiC composites

    Directory of Open Access Journals (Sweden)

    Xiang Yang

    2014-12-01

    Full Text Available Carbon fiber-reinforced silicon carbide (C/SiC composites were well-established light weight materials combining high specific strength and damage tolerance. For high-temperature applications, protective coatings had to provide oxidation and corrosion resistance. The literature data introduced various technologies and materials, which were suitable for the application of coatings. Coating procedures and conditions, materials design limitations related to the reactivity of the components of C/SiC composites, new approaches and coating systems to the selection of protective coatings materials were examined. The focus of future work was on optimization by further multilayer coating systems and the anti-oxidation ability of C/SiC composites at temperatures up to 2073 K or higher in water vapor.

  18. Advanced Environmental Barrier Coatings Developed for SiC/SiC Composite Vanes

    Science.gov (United States)

    Lee, Kang N.; Fox, Dennis S.; Eldridge, Jeffrey I.; Zhu, Dongming; Bansal, Narottam P.; Miller, Robert A.

    2003-01-01

    Ceramic components exhibit superior high-temperature strength and durability over conventional component materials in use today, signifying the potential to revolutionize gas turbine engine component technology. Silicon-carbide fiber-reinforced silicon carbide ceramic matrix composites (SiC/SiC CMCs) are prime candidates for the ceramic hotsection components of next-generation gas turbine engines. A key barrier to the realization of SiC/SiC CMC hot-section components is the environmental degradation of SiC/SiC CMCs in combustion environments. This is in the form of surface recession due to the volatilization of silica scale by water vapor. An external environmental barrier coating (EBC) is a logical approach to achieve protection and long-term durability.

  19. Thermogravimetric and microscopic analysis of SiC/SiC materials with advanced interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Windisch, C.F. Jr.; Jones, R.H. [Pacific Northwest National Lab., Richland, WA (United States); Snead, L.L. [Oak Ridge National Lab., TN (United States)

    1997-04-01

    The chemical stability of SiC/SiC composites with fiber/matrix interfaces consisting of multilayers of SiC/SiC and porous SiC have been evaluated using a thermal gravimetric analyzer (TGA). Previous evaluations of SiC/SiC composites with carbon interfacial layers demonstrated the layers are not chemically stable at goal use temperatures of 800-1100{degrees}C and O{sub 2} concentrations greater than about 1 ppm. No measureable mass change was observed for multilayer and porous SiC interfaces at 800-1100{degrees}C and O{sub 2} concentrations of 100 ppm to air; however, the total amount of oxidizable carbon is on the order of the sensitivity of the TGA. Further studies are in progress to evaluate the stability of these materials.

  20. Palladium- and copper-mediated N-aryl bond formation reactions for the synthesis of biological active compounds

    Directory of Open Access Journals (Sweden)

    Burkhard Koenig

    2011-01-01

    Full Text Available N-Arylated aliphatic and aromatic amines are important substituents in many biologically active compounds. In the last few years, transition-metal-mediated N-aryl bond formation has become a standard procedure for the introduction of amines into aromatic systems. While N-arylation of simple aromatic halides by simple amines works with many of the described methods in high yield, the reactions may require detailed optimization if applied to the synthesis of complex molecules with additional functional groups, such as natural products or drugs. We discuss and compare in this review the three main N-arylation methods in their application to the synthesis of biologically active compounds: Palladium-catalysed Buchwald–Hartwig-type reactions, copper-mediated Ullmann-type and Chan–Lam-type N-arylation reactions. The discussed examples show that palladium-catalysed reactions are favoured for large-scale applications and tolerate sterically demanding substituents on the coupling partners better than Chan–Lam reactions. Chan–Lam N-arylations are particularly mild and do not require additional ligands, which facilitates the work-up. However, reaction times can be very long. Ullmann- and Buchwald–Hartwig-type methods have been used in intramolecular reactions, giving access to complex ring structures. All three N-arylation methods have specific advantages and disadvantages that should be considered when selecting the reaction conditions for a desired C–N bond formation in the course of a total synthesis or drug synthesis.

  1. Emotional experiences of preservice science teachers in online learning: the formation, disruption and maintenance of social bonds

    Science.gov (United States)

    Bellocchi, Alberto; Mills, Kathy A.; Ritchie, Stephen M.

    2016-09-01

    The enactment of learning to become a science teacher in online mode is an emotionally charged experience. We attend to the formation, maintenance and disruption of social bonds experienced by online preservice science teachers as they shared their emotional online learning experiences through blogs, or e-motion diaries, in reaction to videos of face-to-face lessons. A multi-theoretic framework drawing on microsociological perspectives of emotion informed our hermeneutic interpretations of students' first-person accounts reported through an e-motion diary. These accounts were analyzed through our own database of emotion labels constructed from the synthesis of existing literature on emotion across a range of fields of inquiry. Preservice science teachers felt included in the face-to-face group as they watched videos of classroom transactions. The strength of these feelings of social solidarity were dependent on the quality of the video recording. E-motion diaries provided a resource for interactions focused on shared emotional experiences leading to formation of social bonds and the alleviation of feelings of fear, trepidation and anxiety about becoming science teachers. We offer implications to inform practitioners who wish to improve feelings of inclusion amongst their online learners in science education.

  2. Effect of Environment on the Stress- Rupture Behavior of a C/SiC Composite Studied

    Science.gov (United States)

    Verrilli, Michael J.; Kiser, J. Douglas; Opila, Elizabeth J.; Calomino, Anthony M.

    2002-01-01

    Advanced reusable launch vehicles will likely incorporate fiber-reinforced ceramic matrix composites (CMC's) in critical propulsion and airframe components. The use of CMC's is highly desirable to save weight, improve reuse capability, and increase performance. One of the candidate CMC materials is carbon-fiber-reinforced silicon carbide (C/SiC). In potential propulsion applications, such as turbopump rotors and nozzle exit ramps, C/SiC components will be subjected to a service cycle that includes mechanical loading under complex, high-pressure environments containing hydrogen, oxygen, and steam. Degradation of both the C fibers and the SiC matrix are possible in these environments. The objective of this effort was to evaluate the mechanical behavior of C/SiC in various environments relevant to reusable launch vehicle applications. Stress-rupture testing was conducted at the NASA Glenn Research Center on C/SiC specimens in air and steam-containing environments. Also, the oxidation kinetics of the carbon fibers that reinforce the composite were monitored by thermogravimetric analysis in the same environments and temperatures used for the stress-rupture tests of the C/SiC composite specimens. The stress-rupture lives obtained for C/SiC tested in air and in steam/argon mixtures are shown in the following bar chart. As is typical for most materials, lives obtained at the lower temperature (600 C) are longer than for the higher temperature (1200 C). The effect of environment was most pronounced at the lower temperature, where the average test duration in steam at 600 C was at least 30 times longer than the lives obtained in air. The 1200 C data revealed little difference between the lives of specimens tested in air and steam at atmospheric pressure.

  3. Formation of Me-O-Si covalent bonds at the interface between polysilazane and stainless steel

    Science.gov (United States)

    Amouzou, Dodji; Fourdrinier, Lionel; Maseri, Fabrizio; Sporken, Robert

    2014-11-01

    In earlier works, we demonstrated the potential of polysilazane (PSZ) coatings for a use as insulating layers in Cu(In,Ga)Se2 (CIGS) solar cells prepared on steels substrates and showed a good adhesion between PSZ coatings and both AISI316 and AISI430 steels. In the present paper, spectroscopic techniques are used to elucidate the reason of such adhesion. X-ray Photoelectron Spectroscopy (XPS) was used to investigate surfaces for the two steel substrates and showed the presence of metal oxides and metal hydroxides at the top surface. XPS has been also used to probe interfaces between substrates and PSZ, and metallosiloxane (Me-O-Si) covalent bonds have been detected. These results were confirmed by Infra-Red Reflection Absorption Spectroscopy (IRRAS) analyses since vibrations related to Cr-O-Si and Fe-O-Si compounds were detected. Thus, the good adhesion between steel substrates and PSZ coatings was explained by covalent bonding through chemical reactions between PSZ precursors and hydroxide functional groups present on top surface of the two types of steel. Based on these results, an adhesion mechanism between steel substrates and PSZ coatings is proposed.

  4. Oxo-group-14-element bond formation in binuclear uranium(V) Pacman complexes.

    Science.gov (United States)

    Jones, Guy M; Arnold, Polly L; Love, Jason B

    2013-07-29

    Simple and versatile routes to the functionalization of uranyl-derived U(V)-oxo groups are presented. The oxo-lithiated, binuclear uranium(V)-oxo complexes [{(py)3LiOUO}2(L)] and [{(py)3LiOUO}(OUOSiMe3)(L)] were prepared by the direct combination of the uranyl(VI) silylamide "ate" complex [Li(py)2][(OUO)(N")3] (N" = N(SiMe3)2) with the polypyrrolic macrocycle H4L or the mononuclear uranyl (VI) Pacman complex [UO2(py)(H2L)], respectively. These oxo-metalated complexes display distinct U-O single and multiple bonding patterns and an axial/equatorial arrangement of oxo ligands. Their ready availability allows the direct functionalization of the uranyl oxo group leading to the binuclear uranium(V) oxo-stannylated complexes [{(R3Sn)OUO}2(L)] (R = nBu, Ph), which represent rare examples of mixed uranium/tin complexes. Also, uranium-oxo-group exchange occurred in reactions with [TiCl(OiPr)3] to form U-O-C bonds [{(py)3LiOUO}(OUOiPr)(L)] and [(iPrOUO)2(L)]. Overall, these represent the first family of uranium(V) complexes that are oxo-functionalised by Group 14 elements.

  5. EFFECTS OF TEMPERATURE ON THE SPECTRAL EMISSIVITY OF C/SiC COMPOSITES

    OpenAIRE

    Yufeng Zhang; Jingmin Dai; Lu Xiaodong; Wu Yuanqing

    2016-01-01

    The effect of temperature on the infrared spectral emissivity of C/SiC composites as a thermal protection material has been studied, using a measurement system based on a FT-IR spectrometer. The spectral emissivity of C/SiC composites in the wavelength range 3-20 μm and in the temperature range from 1000 K to over 2000 K was measured. Based on the analysis of the measured spectral emissivity, variations of the spectral emissivity with temperature were studied. The relationship between emissiv...

  6. Specimen size effect considerations for irradiation studies of SiC/SiC

    Energy Technology Data Exchange (ETDEWEB)

    Youngblood, G.E.; Henager, C.H. Jr.; Jones, R.H. [Pacific Northwest National Lab., Richland, WA (United States)

    1996-10-01

    For characterization of the irradiation performance of SiC/SiC, limited available irradiation volume generally dictates that tests be conducted on a small number of relatively small specimens. Flexure testing of two groups of bars with different sizes cut from the same SiC/SiC plate suggested the following lower limits for flexure specimen number and size: Six samples at a minimum for each condition and a minimum bar size of 30 x 6.0 x 2.0 mm{sup 3}.

  7. Bamboo-like 3C-SiC nanowires with periodical fluctuating diameter: Homogeneous synthesis, synergistic growth mechanism, and their luminescence properties

    Science.gov (United States)

    Zhang, Meng; Zhao, Jian; Li, Zhenjiang; Yu, Hongyuan; Wang, Yaqi; Meng, Alan; Li, Qingdang

    2016-11-01

    Herein, bamboo-like 3C-SiC nanowires have been successfully fabricated on homogeneous 6H-SiC substrate by a simple chemical vapor reaction (CVR) approach. The obtained 3C-SiC nanostructure with periodical fluctuating diameter, is composed of two alternating structure units, the typical normal-sized stem segment with perfect crystallinity and obvious projecting nodes segment having high-density stacking faults. The formation of the interesting morphology is significantly subjected to the peculiar growth condition provided by the homogeneous substrate as well as the varying growth elastic energy. Furthermore, the photoluminescence (PL) performance measured on the bamboo-like SiC nanowire shows an intensive emission peaks centered at 451 nm and 467 nm, which has been expected to make a positive progress toward the optical application of the SiC-based one-dimensional (1D) nanostructures, such as light emission diode (LED).

  8. Catalysis of peptide bond formation by histidyl-histidine in a fluctuating clay environment

    Science.gov (United States)

    White, D. H.; Erickson, J. C.

    1980-01-01

    The condensation of glycine to form oligoglycines during wet-dry fluctuations on clay surfaces was enhanced up to threefold or greater by small amounts of histidyl-histidine. In addition, higher relative yields of the longer oligomers were produced. Other specific dipeptides tested gave no enhancement, and imidazole, histidine, and N-acetylhistidine gave only slight enhancements. Histidyl-histidine apparently acts as a true catalyst (in the sense of repeatedly catalyzing the reaction), since up to 52 nmol of additional glycine were incorporated into oligoglycine for each nmol of catalyst added. This is the first known instance of a peptide or similar molecule demonstrating a catalytic turnover number greater than unity in a prebiotic oligomer synthesis reaction, and suggests that histidyl-histidine is a model for a primitive prebiotic proto-enzyme. Catalysis of peptide bond synthesis by a molecule which is itself a peptide implies that related systems may be capable of exhibiting autocatalytic growth.

  9. Biosynthesis of pyranonaphthoquinone polyketides reveals diverse strategies for enzymatic carbon-carbon bond formation.

    Science.gov (United States)

    Metsä-Ketelä, Mikko; Oja, Terhi; Taguchi, Takaaki; Okamoto, Susumu; Ichinose, Koji

    2013-08-01

    Pyranonaphthoquinones synthesized by Streptomyces bacteria via type II polyketide pathways are aromatic compounds build around a common three-ring structure, which is composed of pyran, quinone and benzene rings. Over the years, actinorhodin in particular has served as a model compound for studying the biosynthesis of aromatic polyketides, while some of the other metabolites such as granaticin, medermycin, frenolicin and alnumycin A have enabled comparative studies that complement our understanding how these complex biological systems function and have evolved. In addition, despite the similarity of the aglycone units, pyranonaphthoquinones in effect display remarkable diversity in tailoring reactions, which include numerous enzymatic carbon-carbon bond forming reactions. This review focuses on the current status of molecular genetic, biochemical and structural investigations on this intriguing family of natural products.

  10. Formation of hydrogen bonds precedes the rate-limiting formation of persistent structure in the folding of ACBP

    DEFF Research Database (Denmark)

    Teilum, K; Kragelund, B B; Knudsen, J;

    2000-01-01

    A burst phase in the early folding of the four-helix two-state folder protein acyl-coenzyme A binding protein (ACBP) has been detected using quenched-flow in combination with site-specific NMR-detected hydrogen exchange. Several of the burst phase structures coincide with a structure consisting...... of eight conserved hydrophobic residues at the interface between the two N and C-terminal helices. Previous mutation studies have shown that the formation of this structure is rate limiting for the final folding of ACBP. The burst phase structures observed in ACBP are different from the previously reported...... collapsed types of burst phase intermediates observed in the folding of other proteins....

  11. Thermoacoustical analysis of solutions of poly(ethylene glycol) 200 through H-bond complex formation

    Energy Technology Data Exchange (ETDEWEB)

    Yasmin, Maimoona, E-mail: myasmin908@gmail.com [Department of Physics, University of Lucknow, Lucknow 226007 (India); Gupta, Manisha, E-mail: guptagm@rediffmail.com [Department of Physics, University of Lucknow, Lucknow 226007 (India)

    2011-05-10

    Research highlights: {yields} The presence of two electronegative elements viz. nitrogen and oxygen in its molecular architecture, ethanolamine has greater extent of interaction with PEG. {yields} Ethanolamine and m-cresol may be involved in a complex type of network of hydrogen bonding. {yields} Ethanolamine has greater extent of interaction with PEG than m-cresol and aniline particularly with least magnitude from aniline, where electron availability is least because of delocalization. {yields} The difference in molar volume between the components of the mixture control the mixture properties. - Abstract: Densities ({rho}) and ultrasonic velocities (u) of binary mixtures of poly(ethylene glycol) 200, PEG, with ethanolamine, m-cresol and aniline have been measured at various concentrations at 293.15, 303.15 and 313.15 K and have been fitted by third order polynomial equations at each temperature. The calculated values of isentropic compressibility (k{sub s}), free volume (V{sub f}), internal pressure ({pi}{sub i}), relaxation time ({tau}) and surface tension ({sigma}) at different mole fractions of PEG have been used to explain the hydrogen bonding and intermolecular interactions present in the mixture. Using these data, excess molar volume (V{sup E}), excess intermolecular free length (L{sub f}{sup E}), excess acoustic impedance (Z{sup E}) and excess pseudo-Grueneisen parameter ({Gamma}{sup E}) have been calculated and the results have been fitted to Redlich-Kister polynomial equation. All the results support each other and help in understanding the interactions in the mixture. Various models and mixing rules have been applied to evaluate the ultrasonic velocity data and have been compared with the experimental results.

  12. Enthalpy of Formation and O-H Bond Dissociation Enthalpy of Phenol: Inconsistency between Theory and Experiment.

    Science.gov (United States)

    Dorofeeva, Olga V; Ryzhova, Oxana N

    2016-04-21

    Gas-phase O–H homolytic bond dissociation enthalpy in phenol, DH298°(C6H5O–H), is still disputed, despite a large number of experimental and computational studies. In estimating this value, the experimental enthalpy of formation of phenol, ΔfH298°(C6H5OH, g) = −96.4 ± 0.6 kJ/mol (Cox, J. D. Pure Appl. Chem. 1961, 2, 125−128), is often used assuming high accuracy of the experimental value. In the present work a substantially less negative value of ΔfH298°(C6H5OH, g) = −91.8 ± 2.5 kJ/mol was calculated combining G4 theory with an isodesmic reaction approach. A benchmark quality of this result was achieved by using a large number of reliable reference species in isodesmic reaction calculations. Among these are the most accurate ΔfH298° values currently available from the Active Thermochemical Tables (ATcT) for 36 species (neutral molecules, radicals, and ions), anisole with recently reassessed enthalpy of formation, and 13 substituted phenols. The internal consistency of the calculated ΔfH298°(C6H5OH, g) value with the experimental enthalpies of formation of more than 50 reference species suggests that the reported experimental enthalpy of formation of phenol is in error. Taking into account that the enthalpy of formation of phenol has not been investigated experimentally since 1961, the new measurements would be extremely valuable. Using the accurate enthalpies of formation of C6H5OH and C6H5O• calculated in the present work, we obtained DH298°(C6H5O–H) = 369.6 ± 4.0 kJ/mol. This value is in satisfactory agreement with that determined from the most precise experimental measurement.

  13. Heat-induced whey protein isolate fibrils: Conversion, hydrolysis, and disulphide bond formation

    NARCIS (Netherlands)

    Bolder, S.G.; Vasbinder, A.; Sagis, L.M.C.; Linden, van der E.

    2007-01-01

    Fibril formation of individual pure whey proteins and whey protein isolate (WPI) was studied. The heat-induced conversion of WPI monomers into fibrils at pH 2 and low ionic strength increased with heating time and protein concentration. Previous studies, using a precipitation method, size-exclusion

  14. A protocol for amide bond formation with electron deficient amines and sterically hindered substrates

    DEFF Research Database (Denmark)

    Due-Hansen, Maria E; Pandey, Sunil K; Christiansen, Elisabeth;

    2016-01-01

    A protocol for amide coupling by in situ formation of acyl fluorides and reaction with amines at elevated temperature has been developed and found to be efficient for coupling of sterically hindered substrates and electron deficient amines where standard methods failed....

  15. Assembly of macrocycles by zirconocene-mediated, reversible carbon-carbon bond formation.

    Science.gov (United States)

    Gessner, Viktoria H; Tannaci, John F; Miller, Adam D; Tilley, T Don

    2011-06-21

    Macrocyclic compounds have attracted considerable attention in numerous applications, including host-guest chemistry, chemical sensing, catalysis, and materials science. A major obstacle, however, is the limited number of convenient, versatile, and high-yielding synthetic routes to functionalized macrocycles. Macrocyclic compounds have been typically synthesized by ring-closing or condensation reactions, but many of these procedures produce mixtures of oligomers and cyclic compounds. As a result, macrocycle syntheses are often associated with difficult separations and low yields. Some successful approaches that circumvent these problems are based on "self-assembly" processes utilizing reversible bond-forming reactions, but for many applications, it is essential that the resulting macrocycle be built with a strong covalent bond network. In this Account, we describe how zirconocene-mediated reductive couplings of alkynes can provide reversible carbon-carbon bond-forming reactions well-suited for this purpose. Zirconocene coupling of alkenes and alkynes has been used extensively as a source of novel, versatile pathways to functionalized organic compounds. Here, we describe the development of zirconocene-mediated reductive couplings as a highly efficient method for the preparation of macrocycles and cages with diverse compositions, sizes, and shapes. This methodology is based on the reversible, regioselective coupling of alkynes with bulky substituents. In particular, silyl substituents provide regioselective, reversible couplings that place them into the α-positions of the resulting zirconacyclopentadiene rings. According to density functional theory (DFT) calculations and kinetic studies, the mechanism of this coupling involves a stepwise process, whereby an insertion of the second alkyne influences regiochemistry through both steric and electronic factors. Zirconocene coupling of diynes that incorporate silyl substituents generates predictable macrocyclic products

  16. COMPARISON OF FATIGUE AND CREEP BEHAVIOR BETWEEN 2D AND 3D-C/SiC COMPOSITES

    Institute of Scientific and Technical Information of China (English)

    D. Han; S.R. Qiao; M. Li; J.T. Hou; X.J. Wu

    2004-01-01

    The differences of tension-tension fatigue and tensile creep characters of 2D-C/SiCand 3D-C/SiC composites have been scrutinized to meet the engineering needs. Experiments of tension-tension fatigue and tensile creep are carried out under vacuum high temperature condition. All of the high temperature fatigue curves are flat; the fatigue curves of the 2D-C/SiC are flatter and even parallel to the horizontal axis. While the tension-tension fatigue limit of the 3D-C/SiC is higher than that of the 2D-C/SiC, the fiber pullout length of the fatigue fracture surface of the 3D-C/SiC is longer than that of the 2D-C/SiC, and fracture morphology of the 3D-C/SiC is rougher, and pullout length of the fiber tows is longer. At the same time the 3D-C/SiC has higher tensile creep resistance. The tensile curve and the tensile creep curve of both materials consist of a series of flat step. These phenomena can be explained by the non-continuity of the damage.

  17. Simulation and Optimization of β-FeSi2(n)/a-Si(i)/c-Si(p)/μc-Si(p+) Heterojunction Solar Cells%β-FeSi2(n)/a-Si(i)/c-Si(p)/μc-Si(p+)异质结太阳能电池的模拟与优化

    Institute of Scientific and Technical Information of China (English)

    刘振芳; 刘淑平; 聂慧军

    2016-01-01

    运用AFORS-HET软件对β-FeSi2(n)/a-Si(i)/c-Si(p)/μc-Si(p+)HIT型异质结太阳能电池的性能进行了模拟,并对各层参数进行了优化.模拟结果表明,在FeSi2(n)/c-si(p)结构上加上本征层和背场,能显著地提高电池的性能.加入缺陷并优化各项参数后,电池的最后参数为VoC=647.7 mV,JSC=42.29 mA·cm-2,FF=75.32%,EFF=20.63%,β-FeSi2(n)/c-Si(p)太阳能电池的效率提高了2.3%.

  18. Tribological characteristics of C/C-SiC braking composites under dry and wet conditions

    Institute of Scientific and Technical Information of China (English)

    LI Zhuan; XIAO Peng; XIONG Xiang; ZHU Su-hua

    2008-01-01

    C/C-SiC braking composites, based on reinforcement of carbon fibers and rnatrices of carbon and silicon carbide, were fabricated by warm compaction and in situ reaction process. The tribological characteristics of C/C-SiC braking composites under dry and wet conditions were investigated by means of MM-1000 type of friction testing machine. The influence of dry and wet conditions on the tribological characteristics of the C/C-SiC composites was ascertained. Under dry condition, C/C-SiC braking composites show superior tribological characteristics, including high coefficient of friction (0.38), good abrasive resistance (thickness loss is 1.10 μm per cycle) and steady breaking. The main wear mechanism is plastic deformation and abrasion caused by plough. Under wet condition, frictional films form on the worn surface. The coefficient of friction (0.35) could maintain mostly, and the thickness loss (0.70 μm per cycle) reduces to a certain extent. Furthermore, braking curves are steady and adhesion and oxidation are the main wear mechanisms.

  19. Local traps as nanoscale reaction-diffusion probes: B clustering in c-Si

    Energy Technology Data Exchange (ETDEWEB)

    Pawlak, B. J., E-mail: bartekpawlak72@gmail.com [Globalfoundries, Kapeldreef 75, B-3001 Leuven (Belgium); Cowern, N. E. B.; Ahn, C. [School of Electrical and Electronic Engineering, University of Newcastle upon Tyne, Newcastle upon Tyne NE1 7RU (United Kingdom); Vandervorst, W. [IMEC, Kapeldreef 75, B-3001 Leuven, Belgium and IKS, Department of Physics, KU Leuven, Leuven (Belgium); Gwilliam, R. [Surrey Ion Beam Centre, Nodus Laboratory, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom); Berkum, J. G. M. van [Philips CFT, Prof. Holstlaan 4, 5656 AA Eindhoven (Netherlands)

    2014-12-01

    A series of B implantation experiments into initially amorphized and not fully recrystallized Si, i.e., into an existing a/c-Si bi-layer material, have been conducted. We varied B dose, energy, and temperature during implantation process itself. Significant B migration has been observed within c-Si part near the a/c-interface and near the end-of-range region before any activation annealing. We propose a general concept of local trapping sites as experimental probes of nanoscale reaction-diffusion processes. Here, the a/c-Si interface acts as a trap, and the process itself is explored as the migration and clustering of mobile BI point defects in nearby c-Si during implantation at temperatures from 77 to 573 K. We find that at room temperature—even at B concentrations as high as 1.6 atomic %, the key B-B pairing step requires diffusion lengths of several nm owing to a small, ∼0.1 eV, pairing energy barrier. Thus, in nanostructures doped by ion implantation, the implant distribution can be strongly influenced by thermal migration to nearby impurities, defects, and interfaces.

  20. Microscopic surface structure of C/SiC composite mirrors for space cryogenic telescopes

    CERN Document Server

    Enya, Keigo; Kaneda, Hidehiro; Onaka, Takashi; Ozaki, Tuyoshi; Kume, Masami

    2007-01-01

    We report on the microscopic surface structure of carbon-fiber-reinforced silicon carbide (C/SiC) composite mirrors that have been improved for the Space Infrared Telescope for Cosmology and Astrophysics (SPICA) and other cooled telescopes. The C/SiC composite consists of carbon fiber, silicon carbide, and residual silicon. Specific microscopic structures are found on the surface of the bare C/SiC mirrors after polishing. These structures are considered to be caused by the different hardness of those materials. The roughness obtained for the bare mirrors is 20 nm rms for flat surfaces and 100 nm rms for curved surfaces. It was confirmed that a SiSiC slurry coating is effective in reducing the roughness to 2 nm rms. The scattering properties of the mirrors were measured at room temperature and also at 95 K. No significant change was found in the scattering properties through cooling, which suggests that the microscopic surface structure is stable with changes in temperature down to cryogenic values. The C/SiC ...

  1. SiC/Si diode trigger circuit provides automatic range switching for log amplifier

    Science.gov (United States)

    1967-01-01

    SiC/Si diode pair provides automatic range change to extend the operating range of a logarithmic amplifier-conversion circuit and assures stability at or near the range switch-over point. the diode provides hysteresis for a trigger circuit that actuates a relay at the desired range extension point.

  2. Chemical compatibility issues associated with use of SiC/SiC in advanced reactor concepts

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, Dane F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-09-01

    Silicon carbide/silicon carbide (SiC/SiC) composites are of interest for components that will experience high radiation fields in the High Temperature Gas Cooled Reactor (HTGR), the Very High Temperature Reactor (VHTR), the Sodium Fast Reactor (SFR), or the Fluoride-cooled High-temperature Reactor (FHR). In all of the reactor systems considered, reactions of SiC/SiC composites with the constituents of the coolant determine suitability of materials of construction. The material of interest is nuclear grade SiC/SiC composites, which consist of a SiC matrix [high-purity, chemical vapor deposition (CVD) SiC or liquid phase-sintered SiC that is crystalline beta-phase SiC containing small amounts of alumina-yttria impurity], a pyrolytic carbon interphase, and somewhat impure yet crystalline beta-phase SiC fibers. The interphase and fiber components may or may not be exposed, at least initially, to the reactor coolant. The chemical compatibility of SiC/SiC composites in the three reactor environments is highly dependent on thermodynamic stability with the pure coolant, and on reactions with impurities present in the environment including any ingress of oxygen and moisture. In general, there is a dearth of information on the performance of SiC in these environments. While there is little to no excess Si present in the new SiC/SiC composites, the reaction of Si with O2 cannot be ignored, especially for the FHR, in which environment the product, SiO2, can be readily removed by the fluoride salt. In all systems, reaction of the carbon interphase layer with oxygen is possible especially under abnormal conditions such as loss of coolant (resulting in increased temperature), and air and/ or steam ingress. A global outline of an approach to resolving SiC/SiC chemical compatibility concerns with the environments of the three reactors is presented along with ideas to quickly determine the baseline compatibility performance of SiC/SiC.

  3. Proton transfer in hydrogen-bonded network of phenol molecules: intracluster formation of water.

    Science.gov (United States)

    Lengyel, Jozef; Gorejová, Radka; Herman, Zdeněk; Fárník, Michal

    2013-11-07

    Electron ionization and time-of-flight mass spectrometry was used to investigate the phenol clusters (PhOH)n of different size from single molecule to large clusters: in coexpansion with He, the dimers n = 2 are mostly generated; in Ar, large species of n ≥ 10 also occur. Besides [(PhOH)n](+•) cluster ion series, hydrated phenol cluster ions [(PhOH)n·xH2O](+•) with up to x = 3 water molecules and dehydrated phenol clusters [(PhOH)n-H2O](+•) were observed. The hydrated phenol series exhibits minima and maxima that are interpreted as evidence for proton transfer between the hydrogen bonded cluster ions of cyclic structures. The proton transfer leads to a water generation within the clusters, and subsequent elimination of the diphenyl ether molecule(s) from the cluster yields the hydrated phenol cluster ions. Alternatively, a water molecule release yields a series of dehydrated phenols, among which the diphenyl ether ion [PhOPh](+•) (n = 2) constitutes the maximum.

  4. Interface formation of two- and three-dimensionally bonded materials in the case of GeTe-Sb₂Te₃ superlattices.

    Science.gov (United States)

    Momand, Jamo; Wang, Ruining; Boschker, Jos E; Verheijen, Marcel A; Calarco, Raffaella; Kooi, Bart J

    2015-12-07

    GeTe-Sb2Te3 superlattices are nanostructured phase-change materials which are under intense investigation for non-volatile memory applications. They show superior properties compared to their bulk counterparts and significant efforts exist to explain the atomistic nature of their functionality. The present work sheds new light on the interface formation between GeTe and Sb2Te3, contradicting previously proposed models in the literature. For this purpose [GeTe(1 nm)-Sb2Te3(3 nm)]15 superlattices were grown on passivated Si(111) at 230 °C using molecular beam epitaxy and they have been characterized particularly with cross-sectional HAADF scanning transmission electron microscopy. Contrary to the previously proposed models, it is found that the ground state of the film actually consists of van der Waals bonded layers (i.e. a van der Waals heterostructure) of Sb2Te3 and rhombohedral GeSbTe. Moreover, it is shown by annealing the film at 400 °C, which reconfigures the superlattice into bulk rhombohedral GeSbTe, that this van der Waals layer is thermodynamically favored. These results are explained in terms of the bonding dimensionality of GeTe and Sb2Te3 and the strong tendency of these materials to intermix. The findings debate the previously proposed switching mechanisms of superlattice phase-change materials and give new insights in their possible memory application.

  5. Interface structure and formation mechanism of diffusion-bonded joints of TiAl-based alloy to titanium alloy

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Vacuum diffusion bonding of a TiAl-based alloy (TAD) to a titanium alloy (TC2) was carried out at 1 273 K for 15~120 min under a pressure of 25 MPa. The kinds of the reaction products and the interface structures of the joints were investigated by SEM, EPMA and XRD. Based on this, a formation mechanism of the interface structure was elucidated. Experimental and analytical results show that two reaction layers have formed during the diffusion bonding of TAD to TC2. One is Al-rich α(Ti)layer adjacent to TC2,and the other is (Ti3Al+TiAl)layer adjacent to TAD,thus the interface structure of the TAD/TC2 joints is TAD/(Ti3Al+TiAl)/α(Ti)/TC2.This interface structure forms according to a three-stage mechanism,namely(a)the occurrence of a single-phase α(Ti)layer;(b)the occurrence of a duplex-phase(Ti3Al+TiAl)layer;and(c)the growth of the α(Ti)and (Ti3Al+TiAl)layers.

  6. Silicon-Carbon Bond Formation via Nickel-Catalyzed Cross-Coupling of Silicon Nucleophiles with Unactivated Secondary and Tertiary Alkyl Electrophiles

    OpenAIRE

    Chu, Crystal K.; Liang, Yufan; Fu, Gregory C.

    2016-01-01

    A wide array of cross-coupling methods for the formation of C–C bonds from unactivated alkyl electrophiles have been described in recent years. In contrast, progress in the development of methods for the construction of C–heteroatom bonds has lagged; for example, there have been no reports of metal-catalyzed cross-couplings of unactivated secondary or tertiary alkyl halides with silicon nucleophiles to form C–Si bonds. In this study, we address this challenge, establishing that a simple, comm...

  7. 3C-SiC nanocrystal growth on 10° miscut Si(001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Deokar, Geetanjali, E-mail: gitudeo@gmail.com [INSP, UPMC, CNRS UMR 7588, 4 place Jussieu, Paris F-75005 (France); D' Angelo, Marie; Demaille, Dominique [INSP, UPMC, CNRS UMR 7588, 4 place Jussieu, Paris F-75005 (France); Cavellin, Catherine Deville [INSP, UPMC, CNRS UMR 7588, 4 place Jussieu, Paris F-75005 (France); Faculté des Sciences et Technologie UPEC, 61 av. De Gaulle, Créteil F-94010 (France)

    2014-04-01

    The growth of 3C-SiC nano-crystal (NC) on 10° miscut Si(001) substrate by CO{sub 2} thermal treatment is investigated by scanning and high resolution transmission electron microscopies. The vicinal Si(001) surface was thermally oxidized prior to the annealing at 1100 °C under CO{sub 2} atmosphere. The influence of the atomic steps at the vicinal SiO{sub 2}/Si interface on the SiC NC growth is studied by comparison with the results obtained for fundamental Si(001) substrates in the same conditions. For Si miscut substrate, a substantial enhancement in the density of the SiC NCs and a tendency of preferential alignment of them along the atomic step edges is observed. The SiC/Si interface is abrupt, without any steps and epitaxial growth with full relaxation of 3C-SiC occurs by domain matching epitaxy. The CO{sub 2} pressure and annealing time effect on NC growth is analyzed. The as-prepared SiC NCs can be engineered further for potential application in optoelectronic devices and/or as a seed for homoepitaxial SiC or heteroepitaxial GaN film growth. - Highlights: • Synthesis of 3C-SiC nanocrystals epitaxied on miscut-Si using a simple technique • Evidence of domain matching epitaxy at the SiC/Si interface • SiC growth proceeds along the (001) plane of host Si. • Substantial enhancement of the SiC nanocrystal density due to the miscut • Effect of the process parameters (CO{sub 2} pressure and annealing duration)

  8. Synthesis of Hybrid SiC/SiO2 Nanoparticles and Their Polymer Nanocomposites

    Science.gov (United States)

    Hassan, Tarig A.; Rangari, Vijaya K.; Baker, Fredric; Jeelani, Shaik

    2013-04-01

    In the present investigation, silicon carbide (β-SiC) nanoparticles ( 30 nm) were coated on silicon dioxide (SiO2) nanoparticles ( 200 nm) using sonochemical method. The resultant hybrid nanoparticles were then infused into SC-15 epoxy resin to enhance the thermal and mechanical properties of SC-15 epoxy for structural application. To fabricate an epoxy-based nanocomposite containing SiC/SiO2 hybrid nanoparticles, we have opted a two-step process. In the first step, the silica nanoparticles were coated with SiC nanoparticles using high intensity ultrasonic irradiation. In a second step, 1 wt.% of as-prepared SiC/SiO2 particles were dispersed in epoxy part-A (diglycidylether of bisphenol A) using a high intensity ultrasound for 30 min at 5°C. The part-B (cycloaliphatic amine hardener) of the epoxy was then mixed with part-A-SiC/SiO2 mixture using a high-speed mechanical stirrer for 10 min. The SiC/SiO2/epoxy resin mixture was cured at room temperature for 24 h. The SiC nanoparticles coating on SiO2 was characterized using X-ray diffraction (XRD) and high resolution transmission electron microscope (TEM). The as-prepared nanocomposite samples were characterized using thermo gravimetric analysis (TGA) and differential scanning calorimeter (DSC). Compression tests have been carried out for both nanocomposite and neat epoxy systems. The results indicated that 1 wt.% (SiC) + (SiO2) loading derived improvements in both thermal and mechanical properties when compared to the neat epoxy system.

  9. Synthesis of Reusable Silica Nanosphere-Supported Pt(IV Complex for Formation of Disulfide Bonds in Peptides

    Directory of Open Access Journals (Sweden)

    Xiaonan Hou

    2017-02-01

    Full Text Available Some peptide-based drugs, including oxytocin, vasopressin, ziconotide, pramlintide, nesiritide, and octreotide, contain one intramolecular disulfide bond. A novel and reusable monodispersed silica nanosphere-supported Pt(IV complex (SiO2@TPEA@Pt(IV; TPEA: N-[3-(trimethoxysilylpropyl]ethylenediamine was synthesized via a four-step procedure and was used for the formation of intramolecular disulfide bonds in peptides. Transmission electron microscopy (TEM and chemical mapping results for the Pt(II intermediates and for SiO2@TPEA@Pt(IV show that the silica nanospheres possess a monodisperse spherical structure and contain uniformly-distributed Si, O, C, N, Cl, and Pt. The valence state of Pt on the silica nanospheres was characterized by X-ray photoelectron spectroscopy (XPS. The Pt(IV loaded on SiO2@TPEA@Pt(IV was 0.15 mmol/g, as determined by UV-VIS spectrometry. The formation of intramolecular disulfides in six dithiol-containing peptides of variable lengths by the use of SiO2@TPEA@Pt(IV was investigated, and the relative oxidation yields were determined by high-performance liquid chromatography (HPLC. In addition, peptide 1 (Ac-CPFC-NH2 was utilized to study the reusability of SiO2@TPEA@Pt(IV. No significant decrease in the relative oxidation yield was observed after ten reaction cycles. Moreover, the structure of SiO2@TPEA@Pt(IV after being used for ten cycles was determined to be similar to its initial one, demonstrating the cycling stability of the complex.

  10. Supramolecular Formation via Hydrogen Bonding in Copper and Nickel Complexes with 2-Hydroxynicotinic Acid

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Two complexes, Cu(HnicO)2 1 and Ni(HnicO)2(H2O)2 2 (H2nicO = 2-hydroxy- nicolinic acid), were synthesized by hydrothermal reactions and structurally characterized. Complex 1 crystallizes in monoclinic, space group P21/n, with a = 8.314(7), b = 6.275(4), c = 11.283(7) (A), β = 98.32(3)°, V = 582.5(7) (A)3, Z = 2, Mr = 339.74, Dc = 1.937 g/cm3, F(000) = 342, μ = 1.908 mm-1, S = 1.097, the final R = 0.0284 and wR = 0.0781 for 1177 observed reflections with I>2σ(I). Complex 2 crystallizes in monoclinic, space group P21/c, with a = 7.438(5), b = 12.22(1), c = 7.537(5) (A), β = 100.07(3)°, V = 674.3(8) (A)3, Z = 2, Mr = 370.95, Dc = 1.827 g/cm3, F(000) = 380, μ = 1.487 mm-1, S = 1.041, the final R = 0.0335 and wR = 0.0779 for 1202 observed reflections with I>2σ(I). There are extended 3D framework structures in complexes 1 and 2 due to the N-H…O and C-H…O hydrogen bonds. The copper atom in 1 has square planar coordination, while the nickel atom in 2 adopts octahedral coordination geometry. The TG curve shows that complex 2 is stable in solid state to 150 ℃.

  11. Effects of the gas feeding method on the properties of 3C-SiC/Si(111) grown by rapid thermal chemical vapor deposition

    CERN Document Server

    Shim, H W; Suh, E K

    1998-01-01

    High-quality crystalline 3C-SiC thin films are grown by rapid thermal chemical vapor deposition (RTCVD) on Si(111) by using two different growth processes. The films are grown along the [111] direction at 1200 .deg. C. The quality of the films are investigated by X-ray diffraction, transmission electron microscopy, and transmission electron diffraction. The SiC film grown by flowing the tetramethylsilane (TMS) gas before heating the substrate up to the growth temperature does not contain many voids at the SiC/Si interface, while the SiC grown by heating the substrate before supplying the TMS gas possesses many voids at the interface. The unintentionally doped SiC film grown by gas flow before heating the substrate appears to be n-type with a carrier concentration of 1.48 x 10 sup 1 sup 6 cm sup - sup 3 , a electron mobility of 884 cm sup 2 /V centre dot s, and a resistivity of 0.462 OMEGA centre dot cm. The physical properties, such as the electrical properties, the surface morphology, and the crystallinity, ...

  12. Application of C/SiC Composites in Space Optical System Abroad%C/SiC材料在国外空间光学系统上的应用

    Institute of Scientific and Technical Information of China (English)

    朱晓娟; 夏英伟

    2013-01-01

    Carbon fiber reinforced silicon carbide ceramic matrix composites (C/SiC) is a material that possess high specific stiffness,low sensitivity of thermal distortion and the adaptability in high and cryogenic temperatures,which make it a most promising space optical application material.The article summarizes the fabrication processes of C/SiC and the practical application of C/SiC to space technologies abroad.%C/SiC复合材料具有高的比强度、低的热变形敏感度以及在高低温环境下的适应性,这使其成为目前最具前途的空间光学系统应用材料.本文总结了国外一些国家C/SiC的制备方法及其在空间技术上的具体应用.

  13. On the formation and bonding of a surface carbonate on Ni(100)

    Science.gov (United States)

    Behm, R. J.; Brundle, C. R.

    1991-09-01

    The formation, stability, adsorption geometry and electronic structure of a surface carbonate on Ni(100) have been investigated by photoemission (XPS, UPS) and temperature-programmed reaction (TPR). The core level binding energies of 531.2 eV for 0(1s) and 289.0 eV for C(1s) are comparable to those of bulk carbonates. The He(II) spectrum of the carbonate valence levels is not well defined because of the coexisting adsorbed and oxidic oxygen. The angular dependence of the carbonate core level intensities is characteristic of the carbonate being present as an overlayer species rather than a thicker surface phase. The XPS data and isotope labelled TPR experiments indicate the oxygen atoms of the carbonate to be electronically and chemically equivalent, and on this basis we favor a structure in which the carbonate is attached to the metal via all three oxygen atoms. This is supported by comparision with the core level binding energies of HCOO ab and chemisorbed CO 2,ad, which are similarly attached to the surface. From the core level angular behavior, the close similarity of core level binding energies and available vibrational spectroscopic data, a (nearly) planar geometry of the CO 3,ad on Ni(100) is concluded, which is comparable to the planar bulk carbonate anion and the planar carbonate species on Ag(110). The activation barrier for decomposition is estimated from the observed maximum in TPR at 420 K to be 25 ± 2 kcal/mol. CO 2 does not accumulate on the clean or O ad-precovered Ni(100) surface at 130 K. The stabilized, chemisorbed CO 2,ad species often observed on other metal surfaces therefore does not play a critical role for carbonate formation on Ni(100). Also a mechanism involving the disproportionation of a CO 2… CO 2,ad- dimer anion can be ruled out from TPR data. The evidence of the experiments discussed in this paper suggests that the carbonate is predominantly formed by reaction of CO 2,ad with a less stable, defect (disordered) O ad species rather

  14. Evidence that the pathway of disulfide bond formation in Escherichia coli involves interactions between the cysteines of DsbB and DsbA.

    OpenAIRE

    Guilhot, C; Jander, G.; Martin, N L; Beckwith, J

    1995-01-01

    Disulfide bond formation is catalyzed in the periplasm of Escherichia coli. This process involves at least two proteins: DsbA and DsbB. Recent evidence suggests that DsbA, a soluble periplasmic protein directly catalyzes disulfide bond formation in proteins, whereas DsbB, an inner membrane protein, is involved in the reoxidation of DsbA. Here we present direct evidence of an interaction between DsbA and DsbB. (Kishigami et al. [Kishigami, S., Kanaya, E., Kikuchi, M. & Ito, K. (1995) J. Biol. ...

  15. Mineral catalysis of the formation of the phosphodiester bond in aqueous solution - The possible role of montmorillonite clays

    Science.gov (United States)

    Ferris, James P.; Ertem, Gozen; KAMALUDDIN; Agarwal, Vipin; Hua, Lu Lin

    1989-01-01

    The possible role of montmorillonite clays in the spontaneous formation on the primitive earth of the phosphodiester bond in the presence of water was investigated in experiments measuring the binding of various nucleosides and nucleotides with Na(+)-montmorillonite 22A and the reactions of these compounds with a water-soluble carbodiimide. It was found that, at neutral pH, adenine derivatives bind stronger than the corresponding uracil derivatives, consistent with the protonation of the adenine by the acidic clay surface and a cationic binding of the protonated ring to the anionic clay surface. The reaction of the 5-prime-AMP with carbodiimide resulted in the formation of 2-prime,5-prime-pApA (18.9 percent), 3-prime,5-prime-pApA (11 percent), and AppA (4.8 percent). The yields of these oligomers obtained when poly(U) was used in place of the clay were 15.5 percent, 3.7 percent, and 14.9 percent AppA, respectively.

  16. Methods of radiation effects evaluation of SiC/SiC composite and SiC fibers

    Energy Technology Data Exchange (ETDEWEB)

    Youngblood, G.E.; Jones, R.H. [Pacific Northwest National Lab., Richland, WA (United States)

    1998-03-01

    This report covers material presented at the IEA/Jupiter Joint International Workshop on SiC/SiC Composites for Fusion structural Applications held in conjunction with ICFRM-8, Sendai, Japan, Oct. 23--24, 1997. Several methods for radiation effects evaluation of SiC fibers and fiber-reinforced SiC/SiC composite are presented.

  17. Evidence for chemical bond formation at rubber-brass interface: Photoelectron spectroscopy study of bonding interaction between copper sulfide and model molecules of natural rubber

    Science.gov (United States)

    Ozawa, Kenichi; Mase, Kazuhiko

    2016-12-01

    Strong adhesion between rubber and brass has been considered to arise mainly from the mechanical interaction, which is characterized by dendritic interlocking at the interface. In order to examine a possible contribution of the chemical interaction, chemical state analysis was carried out for model molecules of natural rubber (2-methyl-2-butene and isoprene) adsorbed on Cu2S, a key chemical species for adhesion, by means of photoelectron spectroscopy (PES). Absence of a C 1s PES component associated with C=C bonds and the appearance of adsorption-induced components in the S 2p region indicate that the molecules interact with the Cu2S surface via the C=C bond to form C-S covalent bonds. This proves that the chemical interaction certainly plays a role in rubber-brass adhesion along with the mechanical interaction.

  18. From Molecules to Surfaces: Radical-Based Mechanisms of Si-S and Si-Se Bond Formation on Silicon.

    Science.gov (United States)

    Buriak, Jillian M; Sikder, Md Delwar H

    2015-08-05

    The derivatization of silicon surfaces can have profound effects on the underlying electronic properties of the semiconductor. In this work, we investigate the radical surface chemistry of silicon with a range of organochalcogenide reagents (comprising S and Se) on a hydride-terminated silicon surface, to cleanly and efficiently produce surface Si-S and Si-Se bonds, at ambient temperature. Using a diazonium-based radical initiator, which induces formation of surface silicon radicals, a group of organochalcogenides were screened for reactivity at room temperature, including di-n-butyl disulfide, diphenyl disulfide, diphenyl diselenide, di-n-butyl sulfide, diphenyl selenide, diphenyl sulfide, 1-octadecanethiol, t-butyl disulfide, and t-butylthiol, which comprises the disulfide, diselenide, thiol, and thioether functionalities. The surface reactions were monitored by transmission mode Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy, and time-of-flight secondary ionization mass spectrometry. Calculation of Si-Hx consumption, a semiquantitative measure of yield of production of surface-bound Si-E bonds (E = S, Se), was carried out via FTIR spectroscopy. Control experiments, sans the BBD diazonium radical initiator, were all negative for any evident incorporation, as determined by FTIR spectroscopy. The functional groups that did react with surface silicon radicals included the dialkyl/diphenyl disulfides, diphenyl diselenide, and 1-octadecanethiol, but not t-butylthiol, diphenyl sulfide/selenide, and di-n-butyl sulfide. Through a comparison with the rich body of literature regarding molecular radicals, and in particular, silyl radicals, reaction mechanisms were proposed for each. Armed with an understanding of the reaction mechanisms, much of the known chemistry within the extensive body of radical-based reactivity has the potential to be harnessed on silicon and could be extended to a range of technologically relevant semiconductor

  19. Hot pressing of B{sub 4}C/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Sahin, F.C.; Turhan, E.; Yesilcubuk, S.A.; Addemir, O. [Ystanbul Technical University, Faculty of Chemistry and Metallurgy, Materials and Metallurgical Engineering Dept., Maslak-Ystanbul (Turkey)

    2005-07-01

    B{sub 4}C/SiC ceramic composites containing 10-20-30 vol % SiC were prepared by hot pressing method. The effect of SiC addition and hot pressing temperature on sintering behaviour and mechanical properties of hot pressed composites were investigated. Microstructures of hot pressed samples were examined by SEM technique. Three different temperatures (2100 deg. C, 2200 deg. C and 2250 deg. C) were used to optimize hot pressing temperature applying 100 MPa pressure under argon atmosphere during the sintering procedure. The highest relative density of 98.44 % was obtained by hot pressing at 2250 deg. C. However, bending strengths of B{sub 4}C/SiC composite samples were lower than monolithic B{sub 4}C in all experimental conditions. (authors)

  20. Investigation of the chemical interaction in the TiC-Si3N4 system

    Directory of Open Access Journals (Sweden)

    Izhevskyi V.A.

    1999-01-01

    Full Text Available Chemical interaction in the TiCSi3N4 system was investigated. Thermodynamic calculations and kinetic analysis were carried out for a number of powder mixtures with various TiC:Si3N4 molar ratios in the temperature range 1300-1750 °C. Stability regions of the TiC-Si3N4 composites were defined. It was shown that the main reaction products are silicon carbide and titanium carbonitride. The overall chemical interaction is described in terms of chemical reaction between titanium carbide and silicon nitride, and the diffusion of carbon and nitrogen through the coherent reaction products layer after completion of the initial direct interaction of the components.

  1. In situ observation of mechanical damage within a SiC-SiC ceramic matrix composite

    Science.gov (United States)

    Saucedo-Mora, L.; Lowe, T.; Zhao, S.; Lee, P. D.; Mummery, P. M.; Marrow, T. J.

    2016-12-01

    SiC-SiC ceramic matrix composites are candidate materials for fuel cladding in Generation IV nuclear fission reactors and as accident tolerant fuel clad in current generation plant. Experimental methods are needed that can detect and quantify the development of mechanical damage, to support modelling and qualification tests for these critical components. In situ observations of damage development have been obtained of tensile and C-ring mechanical test specimens of a braided nuclear grade SiC-SiC ceramic composite tube, using a combination of ex situ and in situ computed X-ray tomography observation and digital volume correlation analysis. The gradual development of damage by matrix cracking and also the influence of non-uniform loading are examined.

  2. Incubation time for sub-critical crack propagation in SiC-SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    El-Azab, A.; Ghoniem, N.M. [Univ. of California, Los Angeles, CA (United States)

    1995-04-01

    The objective of this work is to investigate the time for sub-critical crack propagation is SiC-SiC composites at high temperatures. The effects of fiber thermal creep on the relaxation of crack bridging tractions in SiC-SiC ceramic matrix composites (CMCs) is considered in the present work, with the objective of studying the time-to propagation of sub-critical matrix cracks in this material at high temperatures. Under the condition of fiber stress relaxation in the bridiging zone, it is found that the crack opening and the stress intensity factor increase with time for sub-critical matrix cracks. The time elapsed before the stress intensity reaches the critical value for crack propagation is calculated as a function of the initial crack length, applied stress and temperature. Stability domains for matrix cracks are defined, which provide guidelines for conducting high-temperature crack propagation experiments.

  3. 2D SiC/SiC composite for flow channel insert (FCI) application

    Energy Technology Data Exchange (ETDEWEB)

    Yu Haijiao [Key Laboratory of Advanced Ceramic Fibers and Composites, College of Aerospace and Materials Engineering, National University of Defense Technology, 47 Yanwachi Street, Changsha 410073 (China); Zhou Xingui, E-mail: zhouxinguilmy@163.com [Key Laboratory of Advanced Ceramic Fibers and Composites, College of Aerospace and Materials Engineering, National University of Defense Technology, 47 Yanwachi Street, Changsha 410073 (China); Wang Honglei; Zhao Shuang [Key Laboratory of Advanced Ceramic Fibers and Composites, College of Aerospace and Materials Engineering, National University of Defense Technology, 47 Yanwachi Street, Changsha 410073 (China); Wu Yican; Huang Qunying; Zhu Zhiqiang [Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031 (China); Huang Zelan [Chongyi Zhangyuan Tungsten Co. Ltd., Chongyi 341300 (China)

    2010-12-15

    Two-dimensional (2D) silicon carbide fiber reinforced silicon carbide matrix (SiC/SiC) composite suiting for flow channel insert (FCI) application was successfully fabricated by stacking molding-precursor impregnation and pyrolysis (PIP) process. Plain-woven KD-I SiC fiber fabric was used as the reinforcement. SiC coating was deposited as the fiber/matrix interphase layer by chemical vapor deposition (CVD) technique. Mechanical, thermal and electrical properties of the 2D SiC/SiC composite were investigated. The results show that mechanical properties and through thickness thermal conductivity of the 2D KD-I/PIP SiC composite well meet the FCI application requirements; meanwhile, it seems that the electrical conductivity requirement will also be satisfied with a series of improvements.

  4. Behind the Nature of Titanium Oxide Excellent Surface Passivation and Carrier Selectivity of c-Si

    DEFF Research Database (Denmark)

    Plakhotnyuk, Maksym; Crovetto, Andrea; Hansen, Ole

    We present an expanded study of the passivation properties of titanium dioxide (TiO2) on p-type crystalline silicon (c-Si). We report a low surface recombination velocity (16 cm/s) for TiO2 passivation layers with a thin tunnelling oxide interlayer (SiO2 or Al2O3) on p-type crystalline silicon (c......-Si). The TiO2 films were deposited by thermal atomic layer deposition (ALD) at temperatures in the range of 80-300  ̊C using titanium tetrachloride (TiCl4) as Ti precursor and water as the oxidant. The influence of TiO2 thickness (5, 10, 20 nm), presence of additional tunneling interlayer (SiO2 or Al2O3...

  5. Current Status and Recent Research Achievements in SiC/SiC Composites

    Energy Technology Data Exchange (ETDEWEB)

    Katoh, Yutai; Snead, Lance L.; Henager, Charles H.; Nozawa, T.; Hinoki, Tetsuya; Ivekovic, Aljaz; Novak, Sasa; Gonzalez de Vicente, Sehila M.

    2014-12-01

    The development and maturation of the silicon carbide fiber-reinforced silicon carbide matrix (SiC/SiC) composite system for fusion applications has seen the evolution from fundamental development and understanding of the material system and its behavior in a hostile irradiation environment to the current effort which essentially is a broad-based program of technology, directed at moving this material class from a laboratory curiosity to an engineering material. This paper lays out the recent international scientific and technological achievements in the development of SiC/SiC composite material technologies for fusion application and will discuss future research directions. It also reviews the materials system in the larger context of progress to maturity as an engineering material for both the larger nuclear community and for general engineering applications.

  6. Current status and recent research achievements in SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Katoh, Y., E-mail: katohy@ornl.gov [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Snead, L.L. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Henager, C.H. [Pacific Northwest National Laboratory, Richland, WA (United States); Nozawa, T. [Japan Atomic Energy Agency, Rokkasho, Aomori (Japan); Hinoki, T. [Institute of Advanced Energy, Kyoto University, Kyoto (Japan); Iveković, A.; Novak, S. [Jožef Stefan Institute, Ljubljana (Slovenia); Gonzalez de Vicente, S.M. [EFDA Close Support Unit, Garching (Germany)

    2014-12-15

    The silicon carbide fiber-reinforced silicon carbide matrix (SiC/SiC) composite system for fusion applications has seen a continual evolution from development a fundamental understanding of the material system and its behavior in a hostile irradiation environment to the current effort which is directed at a broad-based program of technology maturation program. In essence, over the past few decades this material system has steadily moved from a laboratory curiosity to an engineering material, both for fusion structural applications and other high performance application such as aerospace. This paper outlines the recent international scientific and technological achievements towards the development of SiC/SiC composite material technologies for fusion application and discusses future research directions. It also reviews the materials system in the larger context of progress to maturity as an engineering material for both the larger nuclear community and broader engineering applications.

  7. Design of a creep experiment for SiC/SiC composites in HFIR

    Energy Technology Data Exchange (ETDEWEB)

    Hecht, S.L.; Hamilton, M.L.; Jones, R.H. [and others

    1997-08-01

    A new specimen was designed for performing in-reactor creep tests on composite materials, specifically on SiC/SiC composites. The design was tailored for irradiation at 800{degrees}C in a HFIR RB position. The specimen comprises a composite cylinder loaded by a pressurized internal bladder that is made of Nb1Zr. The experiment was designed for approximately a one year irradiation.

  8. Detection of Potential Induced Degradation in c-Si PV Panels Using Electrical Impedance Spectroscopy

    DEFF Research Database (Denmark)

    Oprea, Matei-lon; Spataru, Sergiu; Sera, Dezso

    This work, for the first time, investigates an Impedance Spectroscopy (IS) based method for detecting potential-induced degradation (PID) in crystalline silicon photovoltaic (c-Si PV) panels. The method has been experimentally tested on a set of panels that were confirmed to be affected by PID...... by using traditional current-voltage (I-V) characterization methods, as well as electroluminescence (EL) imaging. The results confirm the effectiveness of the new approach to detect PID in PV panels....

  9. Identification of Possible Pathways for C-C Bond Formation during Electrochemical Reduction of CO2: New Theoretical Insights from an Improved Electrochemical Model.

    Science.gov (United States)

    Goodpaster, Jason D; Bell, Alexis T; Head-Gordon, Martin

    2016-04-21

    We have carried out a periodic Kohn-Sham density functional theory investigation of the pathways by which carbon-carbon bonds could be formed during the electrochemical reduction of CO2 on Cu(100) using a model that includes the effects of the electrochemical potential, solvent, and electrolyte. The electrochemical potential was set by relating the applied potential to the Fermi energy and then calculating the number of electrons required by the simulation cell for that specific Fermi energy. The solvent was included as a continuum dielectric, and the electrolyte was described using a linearized Poisson-Boltzmann model. The calculated potential of zero charge for a variety of surfaces agrees with experiment to within a mean average error of 0.09 V, thereby validating the assumptions of the model. Analysis of the mechanism for C-C bond formation revealed that at low-applied potential, C-C bond formation occurs through a CO dimer. However, at high applied potentials, a large activation barrier blocks this pathway; therefore, C-C bond formation occurs through reaction of adsorbed CHO and CO. Rate parameters determined from our calculations were used to simulate the kinetics of ethene formation during the electrochemical reduction of CO over a Cu(100) surface. An excellent match was observed between previously reported measurements of the partial current for ethene formation as a function of applied voltage and the variation in the partial current for C-C bond formation predicted by our microkinetic model. The electrochemical model reported here is simple, fairly easy to implement, and involves only a small increase in computational cost over calculations neglecting the effects of the electrolyte and the applied field. Therefore, it can be used to study the effects of applied potential and electrolyte composition on the energetics of surface reactions for a wide variety of electrochemical reactions.

  10. Excellent c-Si surface passivation by low-temperature atomic layer deposited titanium oxide

    Science.gov (United States)

    Liao, Baochen; Hoex, Bram; Aberle, Armin G.; Chi, Dongzhi; Bhatia, Charanjit S.

    2014-06-01

    In this work, we demonstrate that thermal atomic layer deposited (ALD) titanium oxide (TiOx) films are able to provide a—up to now unprecedented—level of surface passivation on undiffused low-resistivity crystalline silicon (c-Si). The surface passivation provided by the ALD TiOx films is activated by a post-deposition anneal and subsequent light soaking treatment. Ultralow effective surface recombination velocities down to 2.8 cm/s and 8.3 cm/s, respectively, are achieved on n-type and p-type float-zone c-Si wafers. Detailed analysis confirms that the TiOx films are nearly stoichiometric, have no significant level of contaminants, and are of amorphous nature. The passivation is found to be stable after storage in the dark for eight months. These results demonstrate that TiOx films are also capable of providing excellent passivation of undiffused c-Si surfaces on a comparable level to thermal silicon oxide, silicon nitride, and aluminum oxide. In addition, it is well known that TiOx has an optimal refractive index of 2.4 in the visible range for glass encapsulated solar cells, as well as a low extinction coefficient. Thus, the results presented in this work could facilitate the re-emergence of TiOx in the field of high-efficiency silicon wafer solar cells.

  11. C/C-SiC Composites for Nozzle of Solid Propellant Ramjet

    Directory of Open Access Journals (Sweden)

    WANG Lingling

    2017-01-01

    Full Text Available Carbon fiber reinforced carbon and silicon carbide matrix composites for nozzle inner of solid propellant ramjet were prepared by using the hybrid process of "chemical vapor infiltration + precursor impregnation pyrolysis (CVI+PIP". The microstructure, flexural and anti-ablation properties of the C/C-SiC composites and hydraulic test and rocket motor hot firing test for nozzle inner of solid propellant ramjet were comprehensively investigated. The results show that when the flexural strength of the composite reachs 197 MPa, the fracture damage behavior of the composites presents typical toughness mode.Also the composites has excellent anti-ablative property, i.e., linear ablation rate is only 0.0063 mm·s-1 after 200 s ablation. The C/C-SiC component have excellent integral bearing performance with the hydraulic bursting pressure of 6.5 MPa, and the high temperature combination property of the C/C-SiC composite nozzle inner is verified through motor hot firing of solid propellant ramjet.

  12. Effect of fiber orientations on surface grinding process of unidirectional C/SiC composites

    Science.gov (United States)

    Zhang, Lifeng; Ren, Chengzu; Ji, Chunhui; Wang, Zhiqiang; Chen, Guang

    2016-03-01

    The machining mechanism of woven ceramic matrix composites is one of the most challenging problems in composite application. To elucidate the grinding mechanism of the woven ceramic matrix composites, a new model material consisting of unidirectional CVI-C/SiC was prepared and ground. The composite was ground in three typical directions and the experimental investigation of the surface grinding process for this composite is described. In addition, the micro structural characteristics and grinding mechanism of the composite were analyzed. The result shows that brittle fracture is the dominant removal mechanism for grinding of the C/SiC composites, and the destroy form of the composites is mainly the syntheses of the matrix cracking, fiber fracture, and interfacial debonding. The grinding force follows the order: Normal > Longitudinal > Transverse, and the surface roughness follows: Longitudinal > Normal > Transverse. The grinding parameters (feed speed, cut depth, grinding speed) have great influence on the grinding force and surface roughness. Based on the findings, the grinding force and surface integrity of the woven ceramic matrix composites can be predicted. Furthermore, it is expected to provide a useful guideline for the design, evaluation and optimal application of the C/SiC composites.

  13. High-forward-bias transport mechanism in a-Si:H/c-Si heterojunction solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Schulze, T.F.; Korte, L.; Conrad, E.; Schmidt, M.; Rech, B. [Department of Silicon Photovoltaics, Helmholtz-Zentrum Berlin fuer Materialien und Energie, Kekulestrasse 5, 12489 Berlin (Germany)

    2010-03-15

    In order to elucidate the transport mechanism in a-Si:H/c-Si heterojunction solar cells under high forward bias (U > 0.5 V), we conducted temperature-dependent measurements of current-voltage (I-V) curves in the dark and under illumination. ZnO:Al/(p)a-Si:H/(n)c-Si/(n{sup +})a-Si:H cells are compared with inversely doped structures and the impact of thin undoped a-Si:H buffer layers on charge carrier transport is explored. The solar cell I-V curves are analyzed employing a generalized two-diode model which allows fitting I-V data for a broad range of samples. The fitting results are complemented with numerical simulations using AFORS-HET under consideration of microscopic a-Si:H parameters as determined by constant-final-state-yield photoelectron spectroscopy (CFSYS) to identify possible origins for a systematic increase of the high-forward-bias ideality factor along with the open-circuit voltage (V{sub oc}). It is further shown that also for a-Si:H/c-Si heterojunctions, dark I-V curve fit parameters can unequivocally be linked to V{sub oc} under illumination, which may prove helpful for device assessment. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  14. Fiber creep rate and high-temperature properties of SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Lewinsohn, C.A.; Jones, R.H.; Youngblood, G.E.; Henager, C.H. Jr. [Pacific Northwest National Lab., Richland, WA (United States)

    1998-03-01

    Results of studies aimed at relating the fiber creep rate to the subcritical crack growth rate and fracture properties of SiC/SiC composites have demonstrated that the crack growth rate in a bulk composite is controlled by the fiber creep rate. This result was demonstrated for Nicalon-CG and Hi-Nicalon fiber reinforced material where a 50--75 c shift in the creep strength of the fiber resulted in a similar shift in the crack growth rate of the composite. Irradiation enhanced creep of SiC fibers and matrix must also be considered in the performance assessment of SiC/SiC composites. The shape of the displacement versus time curve for composites containing Hi-Nicalon fibers were similar to those of the previously tested materials, containing Ceramic-grade fibers, that exhibited subcritical crack growth controlled by time-dependent relaxation of the fiber-bridging stresses due to fiber creep. The crack velocity in the CG-C composites at 1100 C in argon was very close to that of the Hi-C materials at 1150--1175 C, this roughly corresponds to the temperature differential shown by DiCarlo et al. to obtain the same relaxation in 1 hour bend stress relaxation (BSR) tests in the two fibers. This supports the hypothesis that subcritical crack growth in SiC/SiC composites is controlled by fiber creep.

  15. Improvement of parameters in a-Si(p)/c-Si(n)/a-Si(n) solar cells

    Science.gov (United States)

    Moustafa Bouzaki, Mohammed; Aillerie, Michel; Ould Saad Hamady, Sidi; Chadel, Meriem; Benyoucef, Boumediene

    2016-10-01

    We analyzed and discussed the influence of thickness and doping concentration of the different layers in a-Si(p)/c-Si(n)/a-Si(n) photovoltaic (PV) cells with the aim of increasing its efficiency while decreasing its global cost. Compared to the efficiency of a standard marketed PV cell, elaborated with a ZnO transparent conductive oxide (TCO) layer but without Back Surface Field (BSF) layer, an optimization of the thickness and dopant concentration of both the emitter a-Si(p) and absorber c-Si(n) layers will gain about 3% in the global efficiency of the cell. The results also reveal that with introduction of the third layer, i.e. the BSF layer, the efficiency always achieves values above 20% and all other parameters of the cell, such as the open-circuit voltage, the short-circuit current and the fill-factor, are strongly affected by the thickness and dopant concentration of the layers. The values of all parameters are given and discussed in the paper. Thereby, the simulation results give for an optimized a-Si(p)/c-Si(n)/a-Si(n) PV cells the possibility to decrease the thickness of the absorber layer down to 50 μm which is lower than in the state-of-the-art. This structure of the cell achieves suitable properties for high efficiency, cost-effectiveness and reliable heterojunction (HJ) solar cell applications.

  16. Improved PEDOT:PSS/c-Si hybrid solar cell using inverted structure and effective passivation.

    Science.gov (United States)

    Zhang, Xisheng; Yang, Dong; Yang, Zhou; Guo, Xiaojia; Liu, Bin; Ren, Xiaodong; Liu, Shengzhong Frank

    2016-10-11

    The PEDOT:PSS is often used as the window layer in the normal structured PEDOT:PSS/c-Si hybrid solar cell (HSC), leading to significantly reduced response, especially in red and near-infrared region. By depositing the PEDOT:PSS on the rear side of the c-Si wafer, we developed an inverted structured HSC with much higher solar cell response in the red and near-infrared spectrum. Passivating the other side with hydrogenated amorphous silicon (a-Si:H) before electrode deposition, the minority carrier lifetime has been significantly increased and the power conversion efficiency (PCE) of the inverted HSC is improved to as high as 16.1% with an open-circuit voltage (Voc) of 634 mV, fill factor (FF) of 70.5%, and short-circuit current density (Jsc) of 36.2 mA cm(-2), an improvement of 33% over the control device. The improvements are ascribed to inverted configuration and a-Si:H passivation, which can increase photon carrier generation and reduce carrier recombination, respectively. Both of them will benefit the photovoltaic performance and should be considered as effective design strategies to improve the performance of organic/c-Si HSCs.

  17. Advanced Environmental Barrier Coating Development for SiC/SiC Ceramic Matrix Composites: NASA's Perspectives

    Science.gov (United States)

    Zhu, Dongming

    2016-01-01

    This presentation reviews NASA environmental barrier coating (EBC) system development programs and the coating materials evolutions for protecting the SiC/SiC Ceramic Matrix Composites in order to meet the next generation engine performance requirements. The presentation focuses on several generations of NASA EBC systems, EBC-CMC component system technologies for SiC/SiC ceramic matrix composite combustors and turbine airfoils, highlighting the temperature capability and durability improvements in simulated engine high heat flux, high pressure, high velocity, and with mechanical creep and fatigue loading conditions. The current EBC development emphasis is placed on advanced NASA 2700F candidate environmental barrier coating systems for SiC/SiC CMCs, their performance benefits and design limitations in long-term operation and combustion environments. Major technical barriers in developing environmental barrier coating systems, the coating integrations with next generation CMCs having the improved environmental stability, erosion-impact resistance, and long-term fatigue-environment system durability performance are described. The research and development opportunities for advanced turbine airfoil environmental barrier coating systems by utilizing improved compositions, state-of-the-art processing methods, and simulated environment testing and durability modeling are discussed.

  18. Improved PEDOT:PSS/c-Si hybrid solar cell using inverted structure and effective passivation

    Science.gov (United States)

    Zhang, Xisheng; Yang, Dong; Yang, Zhou; Guo, Xiaojia; Liu, Bin; Ren, Xiaodong; Liu, Shengzhong (Frank)

    2016-10-01

    The PEDOT:PSS is often used as the window layer in the normal structured PEDOT:PSS/c-Si hybrid solar cell (HSC), leading to significantly reduced response, especially in red and near-infrared region. By depositing the PEDOT:PSS on the rear side of the c-Si wafer, we developed an inverted structured HSC with much higher solar cell response in the red and near-infrared spectrum. Passivating the other side with hydrogenated amorphous silicon (a-Si:H) before electrode deposition, the minority carrier lifetime has been significantly increased and the power conversion efficiency (PCE) of the inverted HSC is improved to as high as 16.1% with an open-circuit voltage (Voc) of 634 mV, fill factor (FF) of 70.5%, and short-circuit current density (Jsc) of 36.2 mA cm-2, an improvement of 33% over the control device. The improvements are ascribed to inverted configuration and a-Si:H passivation, which can increase photon carrier generation and reduce carrier recombination, respectively. Both of them will benefit the photovoltaic performance and should be considered as effective design strategies to improve the performance of organic/c-Si HSCs.

  19. Determination of material properties for short fibre reinforced C/C-SiC

    Directory of Open Access Journals (Sweden)

    Hausherr J.-M.

    2015-01-01

    Full Text Available Determining the mechanical properties of short fibre reinforced CMC using standard sized coupons has always been a challenge due to a high statistical scattering of the measured values. Although the random orientation of short fibres results in a quasi-isotropic material behavior of 2D-structures with a sufficiently large volume, the small volume typical for test coupons usually results in a non-isotropic fibre orientation in the tested volume. This paper describes a method for manufacturing unidirectional oriented short fibre reinforced CMC materials and presents material properties of UD-C/C-SiC. After verifying the fibre orientation of the CMC using micro-computed tomography, coupons were extracted to determine the orthotropic material properties. These orthotropic material properties were then used to predict the properties of C/C-SiC with randomly distributed short fibres. To validate the method, micro-computed tomography is used to quantitatively determine the fibre orientation within coupons extracted from randomly distributed short fibre C/C-SiC. After mechanical three-point-bending tests, the measured stiffness and bending strength is compared with the predicted properties. Finally, the data are used to devise a method suited for reducing the inherent large spread of material properties associated with the measurement of CMC materials with randomly distributed short fibres.

  20. Remarkably efficient synthesis of 2H-indazole 1-oxides and 2H-indazoles via tandem carbon-carbon followed by nitrogen-nitrogen bond formation.

    Science.gov (United States)

    Bouillon, Isabelle; Zajícek, Jaroslav; Pudelová, Nadĕzda; Krchnák, Viktor

    2008-11-21

    Base-catalyzed tandem carbon-carbon followed by nitrogen-nitrogen bond formations quantitatively converted N-alkyl-2-nitro-N-(2-oxo-2-aryl-ethyl)-benzenesulfonamides to 2H-indazoles 1-oxides under mild conditions. Triphenylphosphine or mesyl chloride/triethylamine-mediated deoxygenation afforded 2H-indazoles.

  1. Consecutive condensation, C-N and N-N bond formations: a copper- catalyzed one-pot three-component synthesis of 2H-indazole.

    Science.gov (United States)

    Kumar, Manian Rajesh; Park, Ahbyeol; Park, Namjin; Lee, Sunwoo

    2011-07-01

    2H-Indazoles are synthesized using copper-catalyzed, one-pot, three-component reactions of 2-bromobenzaldehydes, primary amines, and sodium azide. A copper catalyst plays the key role in the formation of C-N and N-N bonds. This method has a broad substrate scope with a high tolerance for a variety of functional groups.

  2. Possible evidence of amide bond formation between sinapinic acid and lysine-containing bacterial proteins by matrix-assisted laser desorption/ionization (MALDI) at 355 nm

    Science.gov (United States)

    We previously reported the apparent formation of matrix adducts of 3,5-dimethoxy-4-hydroxy-cinnamic acid (sinapinic acid or SA) via covalent attachment to disulfide bond-containing proteins (HdeA, HdeB and YbgS) from bacterial cell lysates ionized by matrix-assisted laser desorption/ionization (MALD...

  3. Theoretical studies on N-O or N-N bond formation from aryl azide catalyzed by iron(II) bromide complex.

    Science.gov (United States)

    Li, Juan; Zhang, Qi; Zhou, Lixin

    2012-03-02

    DFT calculations have been carried out to study the reaction mechanism on N-O or N-N bond formation from aryl azide catalyzed by iron(II) bromide complex. A favorable reaction pathway is proposed to account for the construction of the core structure of 2H-indazoles or 2,1-benzisoxazoles.

  4. A domino palladium-catalyzed C-C and C-O bonds formation via dual O-H bond activation: synthesis of 6,6-dialkyl-6H-benzo[c]chromenes.

    Science.gov (United States)

    Mahendar, Lodi; Krishna, Jonnada; Reddy, Alavala Gopi Krishna; Ramulu, Bokka Venkat; Satyanarayana, Gedu

    2012-01-20

    An efficient Pd-catalyzed domino reaction of α,α-dialkyl-(2-bromoaryl)methanols to 6,6-dialkyl-6H-benzo[c]chromenes is presented. Their formation can be explained via a five membered Pd(II)-cycle that efficiently involves a domino homocoupling with the second molecule, β-carbon cleavage, and finally intramolecular Buchwald-Hartwig cyclization. This domino process effectively involves breaking of five σ-bonds (2C-Br, 2O-H, and a C-C) and formation of two new σ-bonds (C-C and C-O). This mechanistic pathway is unprecedented and further illustrates the power of transition metal catalysis.

  5. Unusual C-C bond cleavage in the formation of amine-bis(phenoxy) group 4 benzyl complexes: Mechanism of formation and application to stereospecific polymerization

    KAUST Repository

    Gowda, Ravikumar R.

    2014-08-11

    Group 4 tetrabenzyl compounds MBn4 (M = Zr, Ti), upon protonolysis with an equimolar amount of the tetradentate amine-tris(phenol) ligand N[(2,4-tBu2C6H2(CH 2)OH]3 in toluene from -30 to 25 °C, unexpectedly lead to amine-bis(phenoxy) dibenzyl complexes, BnCH2N[(2,4- tBu2C6H2(CH2)O] 2MBn2 (M = Zr (1), Ti (2)) in 80% (1) and 75% (2) yields. This reaction involves an apparent cleavage of the >NCH2-ArOH bond (loss of the phenol in the ligand) and formation of the >NCH 2-CH2Bn bond (gain of the benzyl group in the ligand). Structural characterization of 1 by X-ray diffraction analysis confirms that the complex formed is a bis(benzyl) complex of Zr coordinated by a newly derived tridentate amine-bis(phenoxy) ligand arranged in a mer configuration in the solid state. The abstractive activation of 1 and 2 with B(C6F 5)3·THF in CD2Cl2 at room temperature generates the corresponding benzyl cations {BnCH2N[(2,4- tBu2C6H2(CH2)O] 2MBn(THF)}+[BnB(C6F5) 3]- (M = Zr (3), Ti, (4)). These cationic complexes, along with their analogues derived from (imino)phenoxy tri- and dibenzyl complexes, [(2,6-iPr2C6H3)N=C(3,5- tBu2C6H2)O]ZrBn3 (5) and [2,4-Br2C6H2(O)(6-CH2(NC 5H9))CH2N=CH(2-adamantyl-4-MeC 6H2O)]ZrBn2 (6), have been found to effectively polymerize the biomass-derived renewable β-methyl-α-methylene- γ-butyrolactone (βMMBL) at room temperature into the highly stereoregular polymer PβMMBL with an isotacticity up to 99% mm. A combined experimental and DFT study has yielded a mechanistic pathway for the observed unusual C-C bond cleavage in the present protonolysis reaction between ZrBn4 and N[(2,4-tBu2C 6H2(CH2)OH]3 for the formation of complex 1, which involves the benzyl radical and the Zr(III) species, resulting from thermal and photochemical decomposition of ZrBn4, followed by a series of reaction sequences consisting of protonolysis, tautomerization, H-transfer, oxidation, elimination, and radical coupling. © 2014 American Chemical Society.

  6. Carenium—Calkyl Bond Making and Breaking: Key Process in the Platinum-Mediated Caryl—Calkyl Bond Formation. Analogies to Organic Electrophilic Aromatic Substitution

    NARCIS (Netherlands)

    Koten, G. van; Albrecht, M.A.; Spek, A.L.

    2001-01-01

    The reaction of cationic platinum aqua complexes 2 [Pt(C6H2{CH2NMe2}2-E-4)(OH2)](X') (X' = SO3CF3, BF4) with alkyl halides RX gave various air-stable arenium complexes 3-5 containing a new C-C bond (R = Me, 3; Et, 4; Bn, 5). Electron-releasing oxo-substituents on the aromatic ligand (E = e.g., OH, b

  7. Constructing safe and durable antibacterial textile surfaces using a robust graft-to strategy via covalent bond formation

    Science.gov (United States)

    He, Liang; Li, Sha; Chung, Cordelia T. W.; Gao, Chang; Xin, John H.

    2016-11-01

    Recently zwitterionic materials have been widely applied in the biomedical and bioengineering fields due to their excellent biocompatibility. Inspired by these, this study presents a graft-to strategy via covalent bond formation to fabricate safe and durable antibacterial textile surfaces. A novel zwitterionic sulfobetaine containing triazine reactive group was specifically designed and synthesized. MTT assay showed that it had no obvious cytotoxicity to human skin HaCaT cells as verified by ca. 89.9% relative viability at a rather high concentration of 0.8 mg·mL‑1. In the evaluation for its skin sensitization, the maximum score for symptoms of erythema and edema in all tests were 0 in all observation periods. The sulfobetaine had a hydrophilic nature and the hydrophilicity of the textiles was enhanced by 43.9% when it was covalently grafted onto the textiles. Moreover, the textiles grafted with the reactive sulfobetaine exhibited durable antibacterial activities, which was verified by the fact that they showed antibacterial rates of 97.4% against gram-positive S. aureus and 93.2% against gram-negative E. coli even after they were laundered for 30 times. Therefore, the titled zwitterionic sulfobetaine is safe to human for healthcare and wound dressing and shows a promising prospect on antibacterial textile application.

  8. Chemically fixed p-n heterojunctions for polymer electronics by means of covalent B-F bond formation

    Science.gov (United States)

    Hoven, Corey V.; Wang, Huiping; Elbing, Mark; Garner, Logan; Winkelhaus, Daniel; Bazan, Guillermo C.

    2010-03-01

    Widely used solid-state devices fabricated with inorganic semiconductors, including light-emitting diodes and solar cells, derive much of their function from the p-n junction. Such junctions lead to diode characteristics and are attained when p-doped and n-doped materials come into contact with each other. Achieving bilayer p-n junctions with semiconducting polymers has been hindered by difficulties in the deposition of thin films with independent p-doped and n-doped layers. Here we report on how to achieve permanently fixed organic p-n heterojunctions by using a cationic conjugated polyelectrolyte with fluoride counteranions and an underlayer composed of a neutral conjugated polymer bearing anion-trapping functional groups. Application of a bias leads to charge injection and fluoride migration into the neutral layer, where irreversible covalent bond formation takes place. After the initial charging and doping, one obtains devices with no delay in the turn on of light-emitting electrochemical behaviour and excellent current rectification. Such devices highlight how mobile ions in organic media can open opportunities to realize device structures in ways that do not have analogies in the world of silicon and promise new opportunities for integrating organic materials within technologies now dominated by inorganic semiconductors.

  9. Kinetics of T3-DNA Ligase-Catalyzed Phosphodiester Bond Formation Measured Using the α-Hemolysin Nanopore.

    Science.gov (United States)

    Tan, Cherie S; Riedl, Jan; Fleming, Aaron M; Burrows, Cynthia J; White, Henry S

    2016-12-27

    The latch region of the wild-type α-hemolysin (α-HL) protein channel can be used to distinguish single base modifications in double-stranded DNA (dsDNA) via ion channel measurements upon electrophoretic capture of dsDNA in the vestibule of α-HL. Herein, we investigated the use of the latch region to detect a nick in the phosphodiester DNA backbone. The presence of a nick in the phosphodiester backbone of one strand of the duplex results in a significant increase in both the blockade current and noise level relative to the intact duplex. Differentiation between the nicked and intact duplexes based on blockade current or noise, with near baseline resolution, allows real-time monitoring of the rate of T3-DNA ligase-catalyzed phosphodiester bond formation. Under low ionic strength conditions containing divalent cations and a molecular crowding agent (75 mg mL(-1) PEG), the rate of enzyme-catalyzed reaction in the bulk solution was continuously monitored by electrophoretically capturing reaction substrate or product dsDNA in the α-HL protein channel vestibule. Enzyme kinetic results obtained from the nanopore experiments match those from gel electrophoresis under the same reaction conditions, indicating the α-HL nanopore measurement provides a viable approach for monitoring enzymatic DNA repair activity.

  10. Active Metal Brazing and Characterization of Brazed Joints in C-C and C-SiC Composites to Copper-Clad-Molybdenum System

    Science.gov (United States)

    Singh, M.; Asthana, R.

    2008-01-01

    Carbon/carbon composites with CVI and resin-derived matrices, and C/SiC composites reinforced with T-300 carbon fibers in a CVI SiC matrix were joined to Cu-clad Mo using two Ag-Cu braze alloys, Cusil-ABA (1.75% Ti) and Ticusil (4.5% Ti). The brazed joints revealed good interfacial bonding, preferential precipitation of Ti at the composite/braze interface, and a tendency toward delamination in resin-derived C/C composite. Extensive braze penetration of the inter-fiber channels in the CVI C/C composites was observed. The Knoop microhardness (HK) distribution across the C/C joints indicated sharp gradients at the interface, and a higher hardness in Ticusil than in Cusil-ABA. For the C/SiC composite to Cu-clad-Mo joints, the effect of composite surface preparation revealed that ground samples did not crack whereas unground samples cracked. Calculated strain energy in brazed joints in both systems is comparable to the strain energy in a number of other ceramic/metal systems. Theoretical predictions of the effective thermal resistance suggest that such joined systems may be promising for thermal management applications.

  11. On-Surface Synthesis of Two-Dimensional Covalent Organic Structures versus Halogen-Bonded Self-Assembly: Competing Formation of Organic Nanoarchitectures.

    Science.gov (United States)

    Peyrot, David; Silly, Fabien

    2016-05-24

    The competition between the on-surface synthesis of covalent nanoarchitectures and the self-assembly of star-shaped 1,3,5-Tris(4-iodophenyl)benzene molecules on Au(111) in vacuum is investigated using scanning tunneling microscopy above room temperature. The molecules form covalent polygonal nanoachitectures at the gold surface step edges and at the elbows of the gold reconstruction at low coverage. With coverage increasing two-dimensional halogen-bonded structures appear and grow on the surface terraces. Two different halogen-bonded nanoarchitectures are coexisting on the surface and hybrid covalent-halogen bonded structures are locally observed. At high coverage covalent nanoarchitectures are squeezed at the domain boundary of the halogen-bonded structures. The competitive growth between the covalent and halogen-bonded nanoarchitectures leads to formation of a two-layer film above one monolayer deposition. For this coverage, the covalent nanoarchitectures are propelled on top of the halogen-bonded first layer. These observations open up new opportunities for decoupling covalent nanoarchitectures from catalytically active and metal surfaces in vacuum.

  12. Density functional study of hydrogen bond formation between methanol and organic molecules containing Cl, F, NH2, OH, and COOH functional groups.

    Science.gov (United States)

    Kolev, Stefan K; St Petkov, Petko; Rangelov, Miroslav A; Vayssilov, Georgi N

    2011-12-08

    Various hydrogen-bonded complexes of methanol with different proton accepting and proton donating molecules containing Cl, F, NH(2), OH, OR, and COOH functional groups have been modeled using DFT with hybrid B3LYP and M05-2X functionals. The latter functional was found to provide more accurate estimates of the structural and thermodynamic parameters of the complexes of halides, amines, and alcohols. The characteristics of these complexes are influenced not only by the principle hydrogen bond of the methanol OH with the proton acceptor heteroatom, but also by additional hydrogen bonds of a C-H moiety with methanol oxygen as a proton acceptor. The contribution of the former hydrogen bond in the total binding enthalpy increases in the order chlorides contribution of the second type of hydrogen bond increases in the reverse order. A general correlation was found between the binding enthalpy of the complex and the electrostatic potential at the hydrogen center participating in the formation of the hydrogen bond. The calculated binding enthalpies of different complexes were used to clarify which functional groups can potentially form a hydrogen bond to the 2'-OH hydroxyl group in ribose, which is strong enough to block it from participation in the intramolecular catalytic activation of the peptide bond synthesis. Such blocking could result in inhibition of the protein biosynthesis in the living cell if the corresponding group is delivered as a part of a drug molecule in the vicinity of the active site in the ribosome. According to our results, such activity can be accomplished by secondary or tertiary amines, alkoxy groups, deprotonated carboxyl groups, and aliphatic fluorides, but not by the other modeled functional groups.

  13. Passivation of c-Si surfaces by sub-nm amorphous silicon capped with silicon nitride

    Energy Technology Data Exchange (ETDEWEB)

    Wan, Yimao, E-mail: yimao.wan@anu.edu.au; Yan, Di; Bullock, James; Zhang, Xinyu; Cuevas, Andres [Research School of Engineering, The Australian National University, Canberra, Australian Capital Territory 0200 (Australia)

    2015-12-07

    A sub-nm hydrogenated amorphous silicon (a-Si:H) film capped with silicon nitride (SiN{sub x}) is shown to provide a high level passivation to crystalline silicon (c-Si) surfaces. When passivated by a 0.8 nm a-Si:H/75 nm SiN{sub x} stack, recombination current density J{sub 0} values of 9, 11, 47, and 87 fA/cm{sup 2} are obtained on 10 Ω·cm n-type, 0.8 Ω·cm p-type, 160 Ω/sq phosphorus-diffused, and 120 Ω/sq boron-diffused silicon surfaces, respectively. The J{sub 0} on n-type 10 Ω·cm wafers is further reduced to 2.5 ± 0.5 fA/cm{sup 2} when the a-Si:H film thickness exceeds 2.5 nm. The passivation by the sub-nm a-Si:H/SiN{sub x} stack is thermally stable at 400 °C in N{sub 2} for 60 min on all four c-Si surfaces. Capacitance–voltage measurements reveal a reduction in interface defect density and film charge density with an increase in a-Si:H thickness. The nearly transparent sub-nm a-Si:H/SiN{sub x} stack is thus demonstrated to be a promising surface passivation and antireflection coating suitable for all types of surfaces encountered in high efficiency c-Si solar cells.

  14. Damage buildup in Ar-ion-irradiated 3C-SiC at elevated temperatures

    Science.gov (United States)

    Wallace, J. B.; Bayu Aji, L. B.; Li, T. T.; Shao, L.; Kucheyev, S. O.

    2015-09-01

    Above room temperature, the accumulation of radiation damage in 3C-SiC is strongly influenced by dynamic defect interaction processes and remains poorly understood. Here, we use a combination of ion channeling and transmission electron microscopy to study lattice disorder in 3C-SiC irradiated with 500 keV Ar ions in the temperature range of 25-250 °C. Results reveal sigmoidal damage buildup for all the temperatures studied. For 150 °C and below, the damage level monotonically increases with ion dose up to amorphization. Starting at 200 °C, the shape of damage-depth profiles becomes anomalous, with the damage peak narrowing and moving to larger depths and an additional shoulder forming close to the ion end of range. As a result, damage buildup curves for 200 and 250 °C exhibit an anomalous two-step shape, with a damage saturation stage followed by rapid amorphization above a critical ion dose, suggesting a nucleation-limited amorphization behavior. Despite their complexity, all damage buildup curves are well described by a phenomenological model based on an assumption of a linear dependence of the effective amorphization cross section on ion dose. In contrast to the results of previous studies, 3C-SiC can be amorphized by bombardment with 500 keV Ar ions even at 250 °C with a relatively large dose rate of ˜2 ×1013 cm-2 s-1, revealing a dominant role of defect interaction dynamics at elevated temperatures.

  15. Thermophysical and mechanical properties of SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Zinkle, S.J.; Snead, L.L. [Oak Ridge National Lab., TN (United States)

    1998-09-01

    The key thermophysical and mechanical properties for SiC/SiC composites are summarized, including temperature-dependent tensile properties, elastic constants, thermal conductivity, thermal expansion, and specific heat. The effects of neutron irradiation on the thermal conductivity and dimensional stability (volumetric swelling, creep) of SiC is discussed. The estimated lower and upper temperatures limits for structural applications in high power density fusion applications are 400 and 1000 C due to thermal conductivity degradation and void swelling considerations, respectively. Further data are needed to more accurately determine these estimated temperature limits.

  16. Thermal conductivity/diffusivity of SiC-Mullite and SiC-SiC composites

    OpenAIRE

    1987-01-01

    The purposes of this study were to determine as a function of temperature the thermal diffusivity and/or thermal conductivity of SiC-Mullite and SiC-SiC, and to explain the observed behavior in terms of changes in temperature, microstructure, composition, and/or orientation. Materials used in the SiC-Mullite study consisted of single crystal SiC whiskers (prepared from rice hulls or by the vapor-liquid-solid process) dispersed within a polycrystalline mullite matrix. Dur...

  17. Application of ultrasonic inspection to characterization of advanced SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Nam, K.W., E-mail: namkw@pknu.ac.kr [Pukyong National University, 100 Yongdang, Nam, Busan 608-739 (Korea, Republic of); Kim, J.W., E-mail: jwkim@kims.re.kr [Korea Institute of Materials Science, 66 Sangnam, Changwon 641-831 (Korea, Republic of); Hinoki, T., E-mail: hinoki@iae.kyoto-u.ac.jp [Kyoto University, Gokasho, Uji, Kyoto 611-0011 (Japan); Kohyama, A., E-mail: kohyama@iae.kyoto-u.ac.jp [Muroran Institute of Technology, Mizumoto, Muroran 050-8585 (Japan); Murai, J., E-mail: jmurai@krautkramer.co.jp [Krautkramer Japan Co., Ltd., Sumida, Higasiosaka 578-0912 (Japan); Murakami, T., E-mail: tmurakami@krautkramer.co.jp [Krautkramer Japan Co., Ltd., Sumida, Higasiosaka 578-0912 (Japan)

    2011-10-01

    Nondestructive evaluation (NDE) of ceramic matrix composites is essential to develop reliable ceramics for industrial applications. In this work, C-scan image analysis has been used to nondestructively characterize surface cracks in SiC/SiC composite ceramics. The possibility of detecting surface cracks was evaluated experimentally using ultrasonic equipment of {mu}-SDS with a probe of 170 MHz. The defocus method could detect the shape of surface cracks. As a whole, when the defocus method for the probe was used, we conclude that there is a good possibility of detecting surface cracks.

  18. Detection of Potential Induced Degradation in c-Si PV Panels Using Electrical Impedance Spectroscopy

    DEFF Research Database (Denmark)

    Oprea, Matei-lon; Spataru, Sergiu; Sera, Dezso

    2016-01-01

    Impedance spectroscopy (IS) is an established characterization method in different electrical and chemical research areas, but not yet adopted as a commercial diagnostic tool for PV panels. This work, for the first time, proposes an IS based method for detecting potential-induced degradation (PID......) in c-Si PV panels. The method has been experimentally tested using an automated PID test bed, and the IS results were confirmed using traditional current-voltage characterization methods, as well as electroluminescence imaging. The corroborated results confirm the effectiveness of the new approach...... to identify PID in PV panels....

  19. Investigation of the optoelectronic properties of {mu}c-Si:H pin solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Stiebig, H.; Brammer, T.; Zimmer, J.; Vetterl, O.; Wagner, H. [Forschungszentrum Juelich GmbH, ISI-PV, D-52425 Juelich (Germany)

    2000-05-01

    We have investigated microcrystalline silicon ({mu}c-Si:H) pin solar cells deposited at different silane concentrations in the gas phase varying from 2% to 7.2%. For these cells three features were found: the dark current of the cells decreased, the open circuit voltage increased and the blue response reduced with increasing silane concentration during deposition. To study the transport and recombination of these structures we have compared the experimentally determined optoelectronic properties with simulated data. The simulations reveal that the equilibrium carrier concentration of free carriers decreases and the affect of the nucleation region of the i-layer on the blue response increases with increasing silane concentration.

  20. Understanding 3C-SiC/SiO2 interfaces in SiC-nanofiber based solar cells from ab initio theory

    Science.gov (United States)

    Nugraha, Taufik Adi; Wippermann, Stefan

    2015-03-01

    Nanostructured materials - such as e. g. hybrid nanocomposites consisting of inorganic semiconducting nanofibers and organic surfactants - provide genuinely novel pathways to exceed the Shockley-Queisser limit for solar energy conversion. The synthesis of such functionalized nanofibers can be performed completely using only inexpensive wet chemical solution processing. However, the synthesis conditions often lead to complex interfacial structures involving thin oxide layers between the nanofiber and surfactants, whose atomistic details are poorly understood at best. Here we present a combined density functional theory and tight binding investigation of interfaces between 3C-SiC nanofiber surfaces and SiO2. Considering a wide variety of possible interfacial structures we utilize a grand canonical approach to generate a phase diagram and predict the structural details of the interface as a function of the chemical potentials of Si, O and H. This study provides directions about how the synthesis conditions lead to specific types of interfacial structures and their impact on the electronic properties of the interface. The authors wish to thank U. Gerstmann, S. Greulich-Weber and W. G. Schmidt for helpful discussions. S. W. acknowledges BMBF NanoMatFutur Grant No. 13N12972.

  1. Hypertriglyceridemia associated with the c.553G>T APOA5 SNP results from aberrant hetero-disulfide bond formation

    Science.gov (United States)

    Sharma, Vineeta; Witkowski, Andrzej; Witkowska, H. Ewa; Dykstra, Andrew; Simonsen, Jens B.; Nelbach, Lisa; Beckstead, Jennifer A.; Pullinger, Clive R.; Kane, John P.; Malloy, Mary J.; Watson, Gordon; Forte, Trudy M.; Ryan, Robert O.

    2014-01-01

    Objective Apolipoprotein (apo) A-V is a low abundance plasma protein that modulates triacylglycerol (TG) homeostasis. Gene transfer studies were undertaken in apoa5 (−/−) mice to define the mechanism underlying the correlation between the single nucleotide polymorphism (SNP) c.553G>T in APOA5 and hypertriglyceridemia (HTG). Approach and Results Adeno-associated virus (AAV) 2/8 mediated gene transfer of wild type (WT) apoA-V induced a dramatic lowering of plasma TG in apoa5 (−/−) mice while AAV2/8-Gly162Cys apoA-V (corresponding to the c.553G>T SNP: rs2075291) had a modest effect. Characterization studies revealed that plasma levels of WT- and G162C apoA-V in transduced mice were similar and within the physiological range. Fractionation of plasma from mice transduced with AAV2/8-G162C apoA-V indicated that, unlike WT apoA-V, >50% of G162C apoA-V was recovered in the lipoprotein-free fraction. Non-reducing SDS-PAGE immunoblot analysis provided evidence that G162C apoA-V present in the lipoprotein-free fraction, but not that portion associated with lipoproteins, displayed altered electrophoretic mobility consistent with disulfide-linked hetero-dimer formation. Immunoprecipitation followed by liquid chromatography/mass spectrometry of human plasma from subjects homozygous for WT APOA5 and c.553G>T APOA5 revealed that G162C apoA-V forms adducts with extraneous plasma proteins including fibronectin, kininogen-1 and others. Conclusion Substitution of Cys for Gly at position 162 of mature apoA-V introduces a free cysteine that forms disulfide bonds with plasma proteins such that its lipoprotein binding and TG modulation functions are compromised. PMID:25127531

  2. Double Core-Shell Si@C@SiO2 for Anode Material of Lithium-Ion Batteries with Excellent Cycling Stability.

    Science.gov (United States)

    Yang, Tao; Tian, Xiaodong; Li, Xiao; Wang, Kai; Liu, Zhanjun; Guo, Quangui; Song, Yan

    2017-02-10

    Lithium-ion batteries (LIBs) composed of silicon (Si) anodes suffer from severe capacity decay because of the volume expansion deriving from the formation of Li15 Si4 alloy. In this study, we prepared a double core-shell Si@C@SiO2 nanostructure by the modified Stöber method. In the process of Si lithiation, the carbon layer alleviates the large pressure slightly then the silica shell restricts the lithiation degree of Si. The combination of carbon interlayer and silica shell guarantees structural integrity and avoids further decay of capacity because of the formation of stable solid-electrolyte interphase (SEI) films. The resultant Si@C@SiO2 presents remarkable cycling stability with capacity decay of averagely 0.03 % per cycle over 305 cycles at 200 mA g(-1) , an improvement on Si@C (0.22 %) by more than a factor of 7. This encouraging result demonstrates that the designation involved in this work is effective for mitigating the capacity decay of Si-based anodes for LIBs.

  3. Technique development for modulus, microcracking, hermeticity, and coating evaluation capability characterization of SiC/SiC tubes

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Xunxiang [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Ang, Caen K. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Singh, Gyanender P. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Katoh, Yutai [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

    2016-08-01

    Driven by the need to enlarge the safety margins of nuclear fission reactors in accident scenarios, research and development of accident-tolerant fuel has become an important topic in the nuclear engineering and materials community. A continuous-fiber SiC/SiC composite is under consideration as a replacement for traditional zirconium alloy cladding owing to its high-temperature stability, chemical inertness, and exceptional irradiation resistance. An important task is the development of characterization techniques for SiC/SiC cladding, since traditional work using rectangular bars or disks cannot directly provide useful information on the properties of SiC/SiC composite tubes for fuel cladding applications. At Oak Ridge National Laboratory, experimental capabilities are under development to characterize the modulus, microcracking, and hermeticity of as-fabricated, as-irradiated SiC/SiC composite tubes. Resonant ultrasound spectroscopy has been validated as a promising technique to evaluate the elastic properties of SiC/SiC composite tubes and microcracking within the material. A similar technique, impulse excitation, is efficient in determining the basic mechanical properties of SiC bars prepared by chemical vapor deposition; it also has potential for application in studying the mechanical properties of SiC/SiC composite tubes. Complete evaluation of the quality of the developed coatings, a major mitigation strategy against gas permeation and hydrothermal corrosion, requires the deployment of various experimental techniques, such as scratch indentation, tensile pulling-off tests, and scanning electron microscopy. In addition, a comprehensive permeation test station is being established to assess the hermeticity of SiC/SiC composite tubes and to determine the H/D/He permeability of SiC/SiC composites. This report summarizes the current status of the development of these experimental capabilities.

  4. Influence of wavelength on laser doping and laser-fired contact processes for c-Si solar cells

    Science.gov (United States)

    Molpeceres, Carlos; Sánchez-Aniorte, María. Isabel; Morales, Miguel; Muñoz, David; Martín, Isidro; Ortega, Pablo; Colina, Mónica; Voz, Cristóbal; Alcubilla, Ramón

    2012-10-01

    This work investigates the influence of the laser wavelength on laser doping (LD) and laser-fired contact (LFC) formation in solar cell structures. We compare the results obtained using the three first harmonics (corresponding to wavelengths of 1064 nm, 532 nm and 355 nm) of fully commercial solid state laser sources with pulse width in the ns range. The discussion is based on the impact on the morphology and electrical characteristics of test structures. In the case of LFC the study includes the influence of different passivation layers and the assessment of the process quality through electrical resistance measurements of an aluminium single LFC point for the different wavelengths. Values for the normalized LFC resistance far below 1.0 mΩcm2 have been obtained, with better results at shorter wavelengths. To assess the influence of the laser wavelength on LD we have created n+ regions into p-type c-Si wafers, using a dry LD approach to define punctual emitters. J-V characteristics show exponential trends at mid-injection for a broad parametric window in all wavelengths, with local ideality factors well below 1.5. In both processes the best results have been obtained using green (532 nm) and, specially, UV (355 nm). This indicates that to minimize the thermal damage in the material is a clear requisite to obtain the best electrical performance, thus indicating that UV laser shows better potential to be used in high efficiency solar cells.

  5. Reduction of interface states by hydrogen treatment at the aluminum oxide/4H-SiC Si-face interface

    Directory of Open Access Journals (Sweden)

    Hironori Yoshioka

    2016-10-01

    Full Text Available Processes to form aluminum oxide as a gate insulator on the 4H-SiC Si-face are investigated to eliminate the interface state density (DIT and improve the mobility. Processes that do not involve the insertion or formation of SiO2 at the interface are preferential to eliminate traps that may be present in SiO2. Aluminum oxide was formed by atomic layer deposition with hydrogen plasma pretreatment followed by annealing in forming gas. Hydrogen treatment was effective to reduce DIT at the interface of aluminum oxide and SiC without a SiO2 interlayer. Optimization of the process conditions resulted in DIT for the metal oxide semiconductor (MOS capacitor of 1.7×1012 cm−2eV−1 at 0.2 eV, and the peak field-effect mobility of the MOS field-effect transistor (MOSFET was approximately 57 cm2V−1s−1.

  6. SiC/SiC composite fabricated with carbon nanotube interface layer and a novel precursor LPVCS

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Shuang, E-mail: zhsh6007@126.com [Science and Technology on Advanced Ceramic Fibers and Composites Laboratory, National University of Defense Technology, Changsha 410073 (China); School of Mechanical, Aerospace, and Civil Engineering, University of Manchester, Manchester M13 9PL (United Kingdom); Zhou, Xingui; Yu, Jinshan [Science and Technology on Advanced Ceramic Fibers and Composites Laboratory, National University of Defense Technology, Changsha 410073 (China); Mummery, Paul [School of Mechanical, Aerospace, and Civil Engineering, University of Manchester, Manchester M13 9PL (United Kingdom)

    2014-02-15

    Highlights: • The CNTs were distributed uniformly on the SiC fibers in the fabric by CVD process. • The microstructural evolution of the CNTs interface coating was studied. • The closed porosity was investigated by X-ray tomography. • The liquid precursor LPVCS exhibited high densification efficiency. - Abstract: Continuous SiC fiber reinforced SiC matrix composites (SiC/SiC) have been studied as promising candidate materials for nuclear applications. Three-dimensional SiC/SiC composite was fabricated via polymer impregnation and pyrolysis (PIP) process using carbon nanotubes (CNTs) as the interface layer and LPVCS as the polymer precursor. The microstructural evolution of the fiber/matrix interface was studied. The porosity, mechanical properties, thermal and electrical conductivities of the SiC/SiC composite were investigated. The results indicated that the high densification efficiency of the liquid precursor LPVCS resulted in a low porosity of the SiC/SiC composite. The SiC/SiC composite exhibited non-brittle fracture behavior, however, bending strength and fracture toughness of the composite were relatively low because of the absence of CNTs as the interface layer. The thermal and electrical conductivities of the SiC/SiC composite were low enough to meet the requirements desired for flow channel insert (FCI) applications.

  7. Femtosecond X-ray solution scattering reveals that bond formation mechanism of a gold trimer complex is independent of excitation wavelength

    Directory of Open Access Journals (Sweden)

    Kyung Hwan Kim

    2016-07-01

    Full Text Available The [Au(CN2−]3 trimer in water experiences a strong van der Waals interaction between the d10 gold atoms due to large relativistic effect and can serve as an excellent model system to study the bond formation process in real time. The trimer in the ground state (S0 exists as a bent structure without the covalent bond between the gold atoms, and upon the laser excitation, one electron in the antibonding orbital goes to the bonding orbital, thereby inducing the formation of a covalent bond between gold atoms. This process has been studied by various time-resolved techniques, and most of the interpretation on the structure and dynamics converge except that the structure of the first intermediate (S1 has been debated due to different interpretations between femtosecond optical spectroscopy and femtosecond X-ray solution scattering. Recently, the excitation wavelength of 267 nm employed in our previous scattering experiment was suggested as the culprit for misinterpretation. Here, we revisited this issue by performing femtosecond X-ray solution scattering with 310 nm excitation and compared the results with our previous study employing 267 nm excitation. The data show that a linear S1 structure is formed within 500 fs regardless of excitation wavelength and the structural dynamics observed at both excitation wavelengths are identical to each other within experimental errors.

  8. Al2O3 Passivation on c-si Surfaces for Low Temperature Solar Cell Applications

    Energy Technology Data Exchange (ETDEWEB)

    Saynova, D.S.; Janssen, G.J.M.; Burgers, A.R.; Mewe, A.A. [ECN Solar Energy, Westerduinweg 3, NL-1755 LE Petten (Netherlands); Cianci, E.; Seguini, G.; Perego, M. [Laboratorio MDM, IMM-CNR, Via C. Olivetti 2,I-20864 Agrate Brianza MB (Italy)

    2013-07-01

    Functional passivation of high resistivity p-type c-Si wafer surfaces was achieved using 10 nm Al2O3 layers and low temperatures for both the thermal ALD process and post-deposition anneal. Effective lifetime values higher than 1 ms were measured at excess carrier density {delta}n=1015 cm{sup -3}. This result was reached in combination with temperatures of 100C and 200C for the Al2O3 layer deposition and anneal, respectively. The Al2O3/c-Si interface was characterized using conductance-voltage and capacitance-voltage measurements. In particular, significantly reduced interface density of the electrically active defects Dit {approx} 2x1010 eV{sup -1}cm{sup -2} was detected, which enabled excellent chemical passivation. The measured density of fixed charges at the interface, Qf, after anneal were in the range +1x10{sup 12} to -1x10{sup 12} cm{sup -2} indicating that both inversion and accumulation conditions result in relevant field-effect passivation using Al2O3 layers and low temperature processes. Numerical simulations on representative test structures show that the uniform Qf effect can be understood in terms of a surface damage region (SDR) present near the interface in combination with asymmetry in the lifetime of holes and electrons in the SDR. The combination of low processing temperatures, thin layers and good passivation properties facilitate a technology for future low temperature solar cell applications.

  9. Thermal Hysteresis of MEMS Packaged Capacitive Pressure Sensor (CPS) Based 3C-SiC

    Science.gov (United States)

    Marsi, N.; Majlis, B. Y.; Mohd-Yasin, F.; Hamzah, A. A.; Mohd Rus, A. Z.

    2016-11-01

    Presented herein are the effects of thermal hysteresis analyses of the MEMS packaged capacitive pressure sensor (CPS). The MEMS CPS was employed on Si-on-3C-SiC wafer that was performed using the hot wall low-pressure chemical vapour deposition (LPCVD) reactors at the Queensland Micro and Nanotechnology Center (QMNC), Griffith University and fabricated using the bulk-micromachining process. The MEMS CPS was operated at an extreme temperature up to 500°C and high external pressure at 5.0 MPa. The thermal hysteresis phenomenon that causes the deflection, strain and stress on the 3C-SiC diaphragm spontaneously influence the MEMS CPS performances. The differences of temperature, hysteresis, and repeatability test were presented to demonstrate the functionality of the MEMS packaged CPS. As expected, the output hysteresis has a low hysteresis (less than 0.05%) which has the hardness greater than the traditional silicon. By utilizing this low hysteresis, it was revealed that the MEMS packaged CPS has high repeatability and stability of the sensor.

  10. Ultrafast laser direct hard-mask writing for high efficiency c-Si texture designs

    Directory of Open Access Journals (Sweden)

    Nogami Jun

    2013-03-01

    Full Text Available This study reports a high-resolution hard-mask laser writing technique to facilitate the selective etching of crystalline silicon (c-Si into an inverted-pyramidal texture with feature size and periodicity on the order of the wavelength which, thus, provides for both anti-reflection and effective light-trapping of infrared and visible light. The process also enables engineered positional placement of the inverted-pyramid thereby providing another parameter for optimal design of an optically efficient pattern. The proposed technique, a non-cleanroom process, is scalable for large area micro-fabrication of high-efficiency thin c-Si photovoltaics. Optical wave simulations suggest the fabricated textured surface with 1.3 μm inverted-pyramids and a single anti-reflective coating increases the relative energy conversion efficiency by 11% compared to the PERL-cell texture with 9 μm inverted pyramids on a 400 μm thick wafer. This efficiency gain is anticipated to improve further for thinner wafers due to enhanced diffractive light trapping effects.

  11. Influence of Constituents on Creep Properties of SiC/SiC Composites

    Science.gov (United States)

    Bhatt, R.; DiCarlo, J.

    2016-01-01

    SiC-SiC composites are being considered as potential candidate materials for next generation turbine components such as combustor liners, nozzle vanes and blades because of their low density, high temperature capability, and tailorable mechanical properties. These composites are essentially fabricated by infiltrating matrix into a stacked array of fibers or fiber preform by one or a combination of manufacturing methods such as, Melt Infiltration (MI) of molten silicon metal, Chemical Vapor Infiltration (CVI), Polymer Infiltration and Pyrolysis (PIP). To understand the influence of constituents, the SiC-SiC composites fabricated by MI, CVI, and PIP methods were creep tested in air between 12000 and 14500 degrees Centigrade for up to 500 hours. The failed specimens were analyzed under a scanning electron microscope to assess damage mechanisms. Also, knowing the creep deformation parameters of the fiber and the matrix under the testing conditions, the creep behavior of the composites was modeled and compared with the measured data. The implications of the results on the long term durability of these composites will be discussed.

  12. Decoupling and ordering of multilayer graphene on C-face 3C-SiC(111)

    Science.gov (United States)

    Bouhafs, C.; Stanishev, V.; Zakharov, A. A.; Hofmann, T.; Kühne, P.; Iakimov, T.; Yakimova, R.; Schubert, M.; Darakchieva, V.

    2016-11-01

    We show experimentally that few layer graphene (FLG) grown on the carbon terminated surface (C-face) of 3C-SiC(111) is composed of decoupled graphene sheets. Landau level spectroscopy on FLG graphene is performed using the infrared optical Hall effect. We find that Landau level transitions in the FLG exhibit polarization preserving selection rules and the transition energies obey a square-root dependence on the magnetic field strength. These results show that FLG on C-face 3C-SiC(111) behave effectively as a single layer graphene with linearly dispersing bands (Dirac cones) at the graphene K point. We estimate from the Landau level spectroscopy an upper limit of the Fermi energy of about 60 meV in the FLG, which corresponds to a carrier density below 2.5 × 1011 cm-2. Low-energy electron diffraction μ-LEED) reveals the presence of azimuthally rotated graphene domains with a typical size of ≤200 nm. μ-LEED mapping suggests that the azimuth rotation occurs between adjacent domains within the same sheet rather than vertically in the stack.

  13. Ablation behavior and mechanism analysis of C/SiC composites

    Directory of Open Access Journals (Sweden)

    Yang Wang

    2016-04-01

    Full Text Available Ablation is an erosive phenomenon with removal of material by a combination of thermo-mechanical, thermo-chemical, and thermo-physical factors with high temperature, pressure, and velocity of combustion flame. Materials with outstanding thermo-mechanical and thermo-chemical properties are required for future high-temperature components. C/SiC is a kind of great potential high-temperature structural material in aeronautics and astronautics with low specific weight, high specific strength, good thermal stability, oxidation resistance and excellent resistance to ablation. In this paper, the ablation phenomenon and mechanisms were summarized adequately. The ablated surface of C/SiC composites could be divided into three regions from center to external. In general, the higher the density, the lower the ablation rate; the lower the ablation temperature and less time, the lower the ablation rate, and the preparation methods also had a great influence on the ablation property. Thermo-physical and thermo-mechanical attacks were the main ablation behavior in the center region; oxidation was the main ablation behavior in the transition region and the border oxidation region.

  14. P-μc-Si1-xGex:H thin film by VHF-PECVD

    Institute of Scientific and Technical Information of China (English)

    SHANG Ze-ren; ZHANG jian-jun; ZHANG Li-ping; HU Zeng-xin; XUE Jun-ming; ZHAO Ying; GENG Xin-hua

    2008-01-01

    In this paper,a series of boron doped microcrystalline hydrogenated silicon-germanium(p-μc-Si1-xGex:H)was deposited by very high frequency plasma-enhanced chemical vapor deposition(VHF-PECVD)from SiH4 and GeF4 mixtures.The effect of GeF4concentration on films'composition.structure and electrical properties was studied.The resuIts show tllat with the increase of GeF4 concentration,the Ge fraction x increases.The dark conductivity and crystalline volume fraction increase first,and then decrease.When the GC is 4%,p-μc-Si1-xGex:H matefiai with high conductivity,low activation energy(σ=1.68 S/cm,Eg=0.047 eV),high crystalline volume fraction (60%)and with an average transmission coefficient over the long wave region reaching 0.9 at the thickness of 72 am was achieved.The experimental results were discussed in detail.

  15. Grain growth of nanocrystalline 3C-SiC under Au ion irradiation at elevated temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Limin; Jiang, Weilin; Dissanayake, Amila C.; Varga, Tamas; Zhang, Jiandong; Zhu, Zihua; Hu, Dehong; Wang, Haiyan; Henager, Charles H.; Wang, Tieshan

    2016-01-09

    Nanocrystalline silicon carbide (SiC) represents an excellent model system for a fundamental study of interfacial (grain boundary) processes under nuclear radiation, which are critical to the understanding of the response of nanostructured materials to high-dose irradiation. This study reports on a comparison of irradiation effects in cubic phase SiC (3C-SiC) grains of a few nanometers in size and single-crystal 3C-SiC films under identical Au ion irradiation to a range of doses at 700 K. In contrast to the latter, in which lattice disorder is accumulated to a saturation level without full amorphization, the average grain size of the former increases with dose following a power-law trend. In addition to coalescence, the grain grows through atomic jumps and mass transport, where irradiation induced vacancies at grain boundaries assist the processes. It is found that a higher irradiation temperature leads to slower grain growth and a faster approach to a saturation size of SiC nanograins. The results could potentially have a positive impact on structural components of advanced nuclear energy systems.

  16. Ultrafast laser direct hard-mask writing for high efficiency c-Si texture designs

    Science.gov (United States)

    Kumar, Kitty; Lee, Kenneth K. C.; Nogami, Jun; Herman, Peter R.; Kherani, Nazir P.

    2013-03-01

    This study reports a high-resolution hard-mask laser writing technique to facilitate the selective etching of crystalline silicon (c-Si) into an inverted-pyramidal texture with feature size and periodicity on the order of the wavelength which, thus, provides for both anti-reflection and effective light-trapping of infrared and visible light. The process also enables engineered positional placement of the inverted-pyramid thereby providing another parameter for optimal design of an optically efficient pattern. The proposed technique, a non-cleanroom process, is scalable for large area micro-fabrication of high-efficiency thin c-Si photovoltaics. Optical wave simulations suggest the fabricated textured surface with 1.3 μm inverted-pyramids and a single anti-reflective coating increases the relative energy conversion efficiency by 11% compared to the PERL-cell texture with 9 μm inverted pyramids on a 400 μm thick wafer. This efficiency gain is anticipated to improve further for thinner wafers due to enhanced diffractive light trapping effects.

  17. Impact Resistance of Environmental Barrier Coated SiC/SiC Composites

    Science.gov (United States)

    Bhatt, Ramakrishna T.; Choi, Sung R.; Cosgriff, Laura M.; Fox, Dennis S.; Lee, Kang N.

    2008-01-01

    Impact performance of 2D woven SiC/SiC composites coated with 225 and 525 microns thick environmental barrier coating (EBC) was investigated. The composites were fabricated by melt infiltration and the EBC was deposited by plasma spray. Impact tests were conducted at room temperature and at 1316 C in air using 1.59 mm diameter steel-balls at projectile velocities ranging from 110 to 375 m/s . Both microscopy and non-destructive evaluation (NDE) methods were used to determine the extent of damage in the substrate and coating with increasing projectile velocity. The impacted specimens were tensile tested at room temperature to determine their residual mechanical properties. At projectile velocities less than 125 m/s , no detectable internal damage was noticed in the MI SiC/SiC composites coated with 525 microns EBC. With increase in projectile velocity beyond this value, spallation of EBC layers, delamination of fiber plies, and fiber fracture were detected. At a fixed projectile velocity, the composites coated with 525 microns EBC showed less damage than those coated with 225 microns EBC. Both types of coated composites retained a large fraction of the baseline properties of the as-fabricated composites and exhibited non-brittle failure after impact testing. Furnace exposure of impacted specimens in a moisture environment at 1316 C for 500 h indicated that the through-the-thickness cracks in the coating and delamination cracks in the substrate generated after impact testing acted as conduits for internal oxidation.

  18. SEMICONDUCTOR MATERIALS Photoelectric conversion characteristics of ZnO/SiC/Si heterojunctions

    Science.gov (United States)

    Xiaopeng, Wu; Xiaoqing, Chen; Lijie, Sun; Shun, Mao; Zhuxi, Fu

    2010-10-01

    A series of n-ZnO/n-SiC/p-Si and n-ZnO/p-Si heterojunctions were prepared by DC sputtering. Their structural properties, I—V curves, photovoltaic effects and photo-response spectra were studied. The photoelectric conversion characteristics of n-ZnO/n-SiC/p-Si and n-ZnO/p-Si heterojunctions were investigated. It is found that the photoelectric conversion efficiency of the n-ZnO/n-SiC/p-Si heterojunction is about four times higher than that of the n-ZnO/p-Si heterojunction. The photovoltaic response spectrum indicated that the photoresponse curve of n-ZnO/n-SiC/p-Si increased more strongly than that of n-ZnO/p-Si with the wavelength increasing. It shows that the photoresponse of n-ZnO/p-Si can be enhanced when inserting a 3C-SiC layer between ZnO and Si. There is one inflexion in the photocurrent response curve of the n-ZnO/p-Si heterojunction and two inflexions in that of the n-ZnO/n-SiC/p-Si heterojunction. It is clear that the 3C-SiC plays an important role in the photoelectric conversion of the n-ZnO/n-SiC/p-Si heterojunction.

  19. a-Si/c-Si heterojunction solar cells on SiSiC ceramic substrates

    Institute of Scientific and Technical Information of China (English)

    LI Xudong; XU Ying; CHE Xiaoqi

    2006-01-01

    Silicon thin-film solar cells are considered to be one of the most promising cells in the future for their potential advantages, such as low cost, high efficiency, great stability, simple processing, and none-pollution. In this paper, latest progress on poly-crystalline silicon solar cells on ceramic substrates achieved by our group was reported. Rapid thermal chemical vapor deposition (RTCVD) was used to deposited poly-crystalline silicon thin films, and the grains of as-grown film were enlarged by Zone-melting Recrystallization (ZMR). As a great changein cell's structure, traditional diffused pn homojunction was replaced by a-Si/c-Si heterojunction, which lead is to distinct improvement in cell's efficiency.A conversion efficiency of 3.42% has been achieved on 1cm2 a-Si/c-Si heterojunction solar cell ( Isc =16.93 mA, Voc =310.9 mV, FF =06493, AM =1.5 G,24 ℃), while the cell with diffused homojunction only gotan efficiency of 0.6%. It indicates that a-Si emitter formed at low temperature might be more suitable for thin film cell on ceramics.

  20. Evidence of covalent bond formation at the silane-metal interface during plasma polymerization of bis-1,2-(triethoxysilyl)ethane (BTSE) on aluminium

    Science.gov (United States)

    Batan, A.; Mine, N.; Douhard, B.; Brusciotti, F.; De Graeve, I.; Vereecken, J.; Wenkin, M.; Piens, M.; Terryn, H.; Pireaux, J. J.; Reniers, F.

    2010-06-01

    Silane and silane-like films were deposited from bis-1,2-(triethoxysilyl)ethane by vacuum and atmospheric plasma onto aluminium. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) was used for probing the aluminium/plasma polymer film interface. An AlOSi + fragment was identified at nominal mass m/ z = 70.9539 amu, indicating a strong chemical interaction (formation of a covalent bond) at the substrate/film interface. Until now, this strong silane-aluminium interaction has never been observed in plasma polymer BTSE films. Ageing tests in an ultrasonic water bath combined with X-ray photoelectron spectroscopy measurements allowed to indirectly confirm good adhesion, and therefore the formation of a chemical bond at the interface.

  1. Transition metal-promoted synthesis of 2-aryl/heteroaryl-thioquinazoline: C-S Bond formation by “Chan-Lam Cross-Coupling” Reaction

    Indian Academy of Sciences (India)

    SATYA KARUNA PULAKHANDAM; NARESH KUMAR KATARI; RAVI PRAKASH REDDY MANDA

    2017-02-01

    An efficient method for the synthesis of S-aryl/heteroaryl-quinazoline has been developed through the cross-coupling of 1,4-dihydroquinazoline with a variety of aryl and heteroaryl boronic acids assisted by [Cu(OAc)₂] as the catalyst for the formation of carbon-sulfur bonds. This newly developed method demonstratesthat the conditions of the traditional copper-catalyzed Chan-Lam reaction can be improved. Optimized reaction involves base, solvent and catalyst.

  2. The tensile damage and strength of 2.5D self-healing C/SiC composite%2.5维自愈合C/SiC复合材料的拉伸损伤及强度

    Institute of Scientific and Technical Information of China (English)

    梁仕飞; 矫桂琼

    2016-01-01

    试验研究了2.5维自愈合C/SiC复合材料的单轴拉伸损伤特征,发现拉应力小于50 MPa时经向和纬向模量基本无变化,50 MPa后残余应变逐渐增大。根据主裂纹面受力情况,建立了单向增强自愈合C/SiC复合材料的脆性断裂模型和韧性断裂模型,并利用其预测了2.5维自愈合C/SiC复合材料的经向和纬向强度。结果表明,2.5维自愈合C/SiC复合材料的经向和纬向拉伸发生脆性断裂,脆性断裂模型预测值与试验值吻合较好。%The tensile damage behaviors of 2.5D self-healing C/SiC composite were studied by experi⁃ments. And the results show that the modulus of weft and warp directions almost have no change until the tensile stress reaches 50 MPa. After that, the residual strain increases with the tensile stress gradually. Based on the stress distribution of the major crack plane, two strength models (brittle fracture model and ductile fracture model) of unidirectional reinforced self-healing C/SiC composite were built, and the strength of 2.5D self-healing C/SiC composite in weft and warp directions were predicted. The results show that the failure mode is brittle fracture and the predicted result of brittle fracture agrees well with the experi⁃ment result.

  3. Epitaxial growth of 3C-SiC by using C{sub 60} as a carbon source; Untersuchungen zum epitaktischen Wachstum von 3C-SiC bei Verwendung einer C{sub 60}-Kohlenstoffquelle

    Energy Technology Data Exchange (ETDEWEB)

    Schreiber, Sascha

    2006-01-15

    Within this work epitaxial 3C-SiC-films were grown on Si(001) substrates and on ion beam synthesized 3C-SiC(001) pseudo substrates. A rather new process was used which is based on the simultaneous deposition of C60 and Si. In order to set up the necessary experimental conditions an ultra-high vacuum chamber has been designed and built. A RHEED system was used to examine SiC film growth in-situ. Using the described technique 3C-SiC films were grown void-free on Si(001) substrates. Deposition rates of C60 and Si were chosen adequately to maintain a Si:C ratio of approximately one during the deposition process. It was shown that stoichiometric and epitaxial 3C-SiC growth with the characteristic relationship (001)[110]Si(001)[110]3C-SiC could be achieved. TEM investigations revealed that the grown 3C-SiC films consist of individual grains that extend from the Si substrate to the film surface. Two characteristic grain types could be identified. The correlation between structure and texture of void-free grown 3C-SiC films and film thickness was studied by X-ray diffraction (XRD). Pole figure measurements showed that thin films only contain first-order 3C-SiC twins. With higher film thickness also second-order twins are found which are located as twin lamellae in grain type 2. Improvement of polar texture with increasing film thickness couldn't be observed in the investigated range of up to 550 nm. On ion beam synthesized 3C-SiC pseudo substrates homoepitaxial 3C-SiC growth could be demonstrated for the first time by using a C{sub 60} carbon source. In respect to the crystalline quality of the grown films the surface quality of the used substrates was identified as a crucial factor. Furthermore a correlation between the ratio of deposition rates of C{sub 60} and Si and 3C-SiC film quality could be found. Under silicon-rich conditions, i.e. with a Si:C ratio of slightly greater one, homoepitaxial 3C-SiC layer-by-layer growth can be achieved. Films grown under these

  4. 微量Al掺杂对2D C/SiC性能的影响%Effects of Adding a Small Amount of Al on Properties of 2D C/SiC

    Institute of Scientific and Technical Information of China (English)

    孙静; 王一光; 罗磊; 成来飞; 张立同

    2012-01-01

    Two-dimensional (2D) C/SiC composites were fabricated by chemical vapor infiltration (CVI) combined with polymer impregnation and pyrolysis ( PIP) using polyaluminocarbosilane ( PACS) as precursor. Properties including microstructure, mechanical properties and thermal expansion of the composites were investigated. The ablation properties of C/SiC composites were investigated by the oxyacetylene torch flame. The results show that adding a small amount of Al has little effect on microstructure, coefficient of thermal expansion ( CTE) , flexural strength and toughness of composites. However,the addition of a small amount of Al into C/SiC composite effectively enhances its ablation resistance. SiC reacts with oxygen to form a silica film,which causes Al melt into silica. Al doping can not only increase the viscosity of silica,but also reduce the activity of silica. Compare with the no addition of Al into C/SiC composites,the linear ablation rate decreased by 26%.%以二维编织碳纤维碳布为预制体,采用聚铝碳硅烷(PACS)为聚合物前驱体,应用化学气相渗透(CVI)结合聚合物浸渗-裂解(PIP)工艺制备微量Al掺杂2D C/SiC复合材料.研究微量Al掺杂对C/SiC微观结构、力学、热膨胀和氧-乙炔焰烧蚀性能的影响.结果表明:掺杂微量Al未改变C/SiC的微观结构和热膨胀性能,也未降低其韧性和强度;但微量Al掺杂提高了C/SiC的抗烧蚀性能,含微量Al的SiC氧化形成微量Al熔于SiO2的固熔体,微量Al提高了SiO2的黏度和致密度,减小SiO2挥发,较未掺杂Al的C/SiC相比,线烧蚀率降低了26%.

  5. Initial assessment of environmental effects on SiC/SiC composites in helium-cooled nuclear systems

    Energy Technology Data Exchange (ETDEWEB)

    Contescu, Cristian I [ORNL

    2013-09-01

    This report summarized the information available in the literature on the chemical reactivity of SiC/SiC composites and of their components in contact with the helium coolant used in HTGR, VHTR and GFR designs. In normal operation conditions, ultra-high purity helium will have chemically controlled impurities (water, oxygen, carbon dioxide, carbon monoxide, methane, hydrogen) that will create a slightly oxidizing gas environment. Little is known from direct experiments on the reactivity of third generation (nuclear grade) SiC/SiC composites in contact with low concentrations of water or oxygen in inert gas, at high temperature. However, there is ample information about the oxidation in dry and moist air of SiC/SiC composites at high temperatures. This information is reviewed first in the next chapters. The emphasis is places on the improvement in material oxidation, thermal, and mechanical properties during three stages of development of SiC fibers and at least two stages of development of the fiber/matrix interphase. The chemical stability of SiC/SiC composites in contact with oxygen or steam at temperatures that may develop in off-normal reactor conditions supports the conclusion that most advanced composites (also known as nuclear grade SiC/SiC composites) have the chemical resistance that would allow them maintain mechanical properties at temperatures up to 1200 1300 oC in the extreme conditions of an air or water ingress accident scenario. Further research is needed to assess the long-term stability of advanced SiC/SiC composites in inert gas (helium) in presence of very low concentrations (traces) of water and oxygen at the temperatures of normal operation of helium-cooled reactors. Another aspect that needs to be investigated is the effect of fast neutron irradiation on the oxidation stability of advanced SiC/SiC composites in normal operation conditions.

  6. 纤维增强C/SiC复合陶瓷材料小螺纹孔攻丝工艺研究%Study on Small Screw Hole Tapping Technology of Fiber Reinforced C/SiC Ceramic Composites

    Institute of Scientific and Technical Information of China (English)

    王振来; 刘迎春; 周大华

    2015-01-01

    针对C/SiC复合陶瓷材料加工过程中掉渣严重、螺牙成型困难、加工合格率较低等问题,通过大量的工艺试验,摸索出非金属材料小螺纹攻丝螺牙成型的变化规律,从工艺方案的确定、钻头材质的选择、丝锥材质的选择、丝锥攻丝受力等方面总结出在非金属纤维增强C/SiC陶瓷材料上的小螺纹孔攻丝的工艺加工方法.提高了非金属材料小螺纹孔攻丝的合格率.%Focusing on the problems of serious scaling-off,screw tooth forming difficulty,and low qualified rate in the machining process of C/SiC composite ceramics,massive experiments were conducted.Forming rules of small screw tooth of C/SiC composite ceramic material were found and processing technology of small screw hole tapping for the material was summarized from aspects of scheme,drill and tap material,and tap force.The qualified rate of small screw hole tapping of C/SiC composite ceramics was improved.

  7. Ion beam synthesis and characterization of large area 3C-SiC pseudo substrates for homo- and heteroepitaxy; Ionenstrahlsynthese und Charakterisierung grossflaechiger 3C-SiC-Pseudosubstrate fuer die Homo- und Heteroepitaxie

    Energy Technology Data Exchange (ETDEWEB)

    Haeberlen, Maik

    2006-12-15

    In this work, large area epitaxial 3C-SiC films on Si(100) and Si(111) were formed by ion beam synthesis and subsequently characterized for their structural and crystalline properties. These SiC/Si structures are meant to be used as SiC pseudosubstrates for the homo- and heteroepitaxial growth of other compound semiconductors. The suitability of these pseudosubstrates for this purpose was tested using various epitaxial systems and thin film growth methods. For this the homoepitaxial growth of 3C-SiC employing C{sub 60}-MBE and the heteroepitaxial growth of hexagonal GaN films grown by MOCVD and IBAMBA was studied in detail. The comparison of the structural and crystalline properties with data from literature enabled a qualified judgement of the potential of the 3C-SiC pseudosubstrates as an alternative substrate for the epitaxial growth of such films. These new 3C-SiC pseudosubstrates also enabled studies of other little known epitaxial systems: For the first time hexagonal ZnO films on (111) oriented pseudosubstrates were grown using PLD. The method if IBAMBE enabled the growth of cubic GaN layers on (100)-oriented pseudosubstrates. (orig.)

  8. Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).

    Science.gov (United States)

    Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana

    2016-01-01

    The crystal chemical features of the new series of compounds R6Mg23C with R = La-Sm or Gd and Ce6Mg23Z with Z = C, Si, Ge, Sn, Pb, P, As, or Sb have been studied by means of single-crystal and powder X-ray diffraction techniques. All phases crystallize with the cubic Zr6Zn23Si prototype (cF120, space group Fm3̅m, Z = 4), a filled variant of the Th6Mn23 structure. While no Th6Mn23-type binary rare earth-magnesium compound is known to exist, the addition of a third element Z (only 3 atom %), located into the octahedral cavity of the Th6Mn23 cell (Wyckoff site 4a), stabilizes this structural arrangement and makes possible the formation of the ternary R6Mg23Z compounds. The results of both structural and topological analyses as well as of LMTO electronic structure calculations show that the interstitial element plays a crucial role in the stability of these phases, forming a strongly bonded [R6Z] octahedral moiety spaced by zeolite cage-like [Mg45] clusters. Considering these two building units, the crystal structure of these apparently complex intermetallics can be simplified to the NaCl-type topology. Moreover, a structural relationship between RMg3 and R6Mg23C compounds has been unveiled; the latter can be described as substitutional derivatives of the former. The geometrical distortions and the consequent symmetry reduction that accompany this transformation are explicitly described by means of the Bärnighausen formalism within group theory.

  9. Surface passivation effects on the electronic and optical properties of 3C-SiC nanocrystals

    Science.gov (United States)

    Javan, Masoud Bezi

    2015-01-01

    Using time-dependent density functional theory the optical absorption spectrum of SiC nanocrystals was studied with changes in their surface structures as they are passivated with some functional groups such as amine (-NH2), amide (-CONH2), hydroxyl (-OH), carboxylic acid (-CO2H) and thiol (-SH) groups. The variations of some quantities such as formation energy, optical gap, single particle energy gap and lowest exciton binding energy of SiC nanocrystals are discussed with changes in their surface structure. Results indicate that in all cases the silicon dangling bonds on the surface of SiC nanocrystals are favorable for constructing stable structures with attached functional groups as in some cases their stability is more than pure hydrogenated SiC nanocrystal as an ideal structure. Also the functional groups attached to the surface of SiC nanocrystals change the optical properties of the SiC nanocrystals as the changes are remarkable for amide and thiol passivated nanocrystals.

  10. Surface passivation effects on the electronic and optical properties of 3C-SiC nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Javan, Masoud Bezi, E-mail: javan.masood@gmail.com

    2015-01-01

    Using time-dependent density functional theory the optical absorption spectrum of SiC nanocrystals was studied with changes in their surface structures as they are passivated with some functional groups such as amine (–NH{sub 2}), amide (–CONH{sub 2}), hydroxyl (–OH), carboxylic acid (–CO{sub 2}H) and thiol (–SH) groups. The variations of some quantities such as formation energy, optical gap, single particle energy gap and lowest exciton binding energy of SiC nanocrystals are discussed with changes in their surface structure. Results indicate that in all cases the silicon dangling bonds on the surface of SiC nanocrystals are favorable for constructing stable structures with attached functional groups as in some cases their stability is more than pure hydrogenated SiC nanocrystal as an ideal structure. Also the functional groups attached to the surface of SiC nanocrystals change the optical properties of the SiC nanocrystals as the changes are remarkable for amide and thiol passivated nanocrystals.

  11. Growth of ternary and quaternary cubic III-nitrides on 3C-SiC substrates

    Science.gov (United States)

    Schörmann, J.; Potthast, S.; Schnietz, M.; Li, S. F.; As, D. J.; Lischka, K.

    2006-06-01

    Cubic GaN, AlxGa1-xN/GaN multiple quantum wells and quaternary AlxGayIn1-x-yN layers were grown by plasma assisted molecular beam epitaxy on 3C-SiC substrates. Using the intensity of a reflected high energy electron beam as a probe optimum growth conditions of c-III nitrides were found, when a 1 monolayer Ga coverage is formed at the growing surface. Clear RHEED oscillations during the initial growth of AlxGa1-xN/GaN quantum wells were observed. X-ray diffraction measurements of these quantum well structures show clear satellite peaks indicating smooth interfaces. Growth of quaternary AlxGayIn1-x-yN lattice matched to GaN were demonstrated.

  12. Characterization on C/SiC Ceramic Matrix Composites with Novel Fiber Coatings

    Science.gov (United States)

    Petko, Jeanne; Kiser, J. Douglas; McCue, Terry; Verrilli, Michael

    2002-01-01

    Ceramic Matrix Composites (CMCs) are attractive candidate materials in the aerospace industry due to their high specific strength, low density and higher temperature capabilities. The National Aeronautics and Space Administration (NASA) is pursuing the use of CMC components in advanced Reusable Launch Vehicle (RLV) propulsion applications. Carbon fiber-reinforced silicon carbide (C/SiC) is the primary material of interest for a variety of RLV propulsion applications. These composites offer high- strength carbon fibers and a high modulus, oxidation-resistant matrix. For comparison, two types of carbon fibers were processed with novel types of interface coatings (multilayer and pseudoporous). For RLV propulsion applications, environmental durability will be critical. The coatings show promise of protecting the carbon fibers from the oxidizing environment. The strengths and microstructures of these composite materials are presented.

  13. Oxidation-resistant interface coatings for SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Stinton, D.P.; Kupp, E.R.; Hurley, J.W. [and others

    1996-06-01

    The characteristics of the fiber-matrix interfaces in ceramic matrix composites control the mechanical behavior of these composites. Finite element modeling (FEM) was performed to examine the effect of interface coating modulus and coefficient of thermal expansion on composite behavior. Oxide interface coatings (mullite and alumina-titania) produced by a sol-gel method were chosen for study as a result of the FEM results. Amorphous silicon carbide deposited by chemical vapor deposition (CVD) is also being investigated for interface coatings in SiC-matrix composites. Processing routes for depositing coatings of these materials were developed. Composites with these interfaces were produced and tested in flexure both as-processed and after oxidation to examine the suitability of these materials as interface coatings for SiC/SiC composites in fossil energy applications.

  14. Porphyrin conjugated SiC/SiOx nanowires for X-ray-excited photodynamic therapy

    Science.gov (United States)

    Rossi, F.; Bedogni, E.; Bigi, F.; Rimoldi, T.; Cristofolini, L.; Pinelli, S.; Alinovi, R.; Negri, M.; Dhanabalan, S. C.; Attolini, G.; Fabbri, F.; Goldoni, M.; Mutti, A.; Benecchi, G.; Ghetti, C.; Iannotta, S.; Salviati, G.

    2015-01-01

    The development of innovative nanosystems opens new perspectives for multidisciplinary applications at the frontier between materials science and nanomedicine. Here we present a novel hybrid nanosystem based on cytocompatible inorganic SiC/SiOx core/shell nanowires conjugated via click-chemistry procedures with an organic photosensitizer, a tetracarboxyphenyl porphyrin derivative. We show that this nanosystem is an efficient source of singlet oxygen for cell oxidative stress when irradiated with 6 MV X-Rays at low doses (0.4–2 Gy). The in-vitro clonogenic survival assay on lung adenocarcinoma cells shows that 12 days after irradiation at a dose of 2 Gy, the cell population is reduced by about 75% with respect to control cells. These results demonstrate that our approach is very efficient to enhance radiation therapy effects for cancer treatments. PMID:25556299

  15. Evaporated erbium oxide as an antireflective layer for C-Si solar cells

    Science.gov (United States)

    Alizadeh, Hossein; Bahardoust, Barzin; Gougam, Adel; Kherani, Nazir P.; Zukotynski, Stefan

    2009-08-01

    We report on the optical properties of erbium oxide thin films prepared by physical vapor deposition. The films were subjected to various rapid thermal annealing (RTA) treatments. The best result was obtained for samples annealed at 500 °C, where the ramp rate was 200 °C/s, zero soak time, and a cooling rate of 25 °C/s. The average reflection from this erbium oxide coated c-Si substrate, measured over a wavelength range of 300nm to 1100nm, is around 18% and 8% before and after annealing, respectively. The average transmission of erbium oxide on glass is 50 % and 90 % before and after annealing, respectively. Using this antireflection coating the short circuit current of a silicon base photovoltaic device increases by more than 40 %.

  16. CVD growth and characterization of 3C-SiC thin films

    Indian Academy of Sciences (India)

    A Gupta; D Paramanik; S Varma; C Jacob

    2004-10-01

    Cubic silicon carbide (3C-SiC) thin films were grown on (100) and (111) Si substrates by CVD technique using hexamethyldisilane (HMDS) as the source material in a resistance heated furnace. HMDS was used as the single source for both Si and C though propane was available for the preliminary carbonization. For selective epitaxial growth, patterned Si (100) substrates were used. The effect of different growth parameters such as substrate orientation, growth temperature, precursor concentration, etc on growth was examined to improve the film quality. The surface morphology, microstructure and crystallinity of grown films were studied using optical microscopy, scanning electron microscopy (SEM), X-ray diffraction (XRD) analysis and X-ray photoelectron spectroscopy (XPS).

  17. Oxidation-resistant interface coatings for SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Stinton, D.P.; Kupp, E.R.; Hurley, J.W.; Lowden, R.A. [Oak Ridge National Lab., TN (United States)] [and others

    1996-08-01

    The characteristics of the fiber-matrix interfaces in ceramic matrix composites control the mechanical behavior of these composites. Finite element modeling (FEM) was performed to examine the effect of interface coating modulus and coefficient of thermal expansion on composite behavior. Oxide interface coatings (mullite and alumina-titania) produced by a sol-gel method were chosen for study as a result of the FEM results. Amorphous silicon carbide deposited by chemical vapor deposition (CVD) is also being investigated for interface coatings in SiC-matrix composites. Processing routes for depositing coatings of these materials were developed. Composites with these interfaces were produced and tested in flexure both as-processed and after oxidation to examine the suitability of these materials as interface coatings for SiC/SiC composites in fossil energy applications.

  18. High-performance a -Si/c-Si heterojunction photoelectrodes for photoelectrochemical oxygen and hydrogen evolution

    KAUST Repository

    Wang, Hsin Ping

    2015-05-13

    Amorphous Si (a-Si)/crystalline Si (c-Si) heterojunction (SiHJ) can serve as highly efficient and robust photoelectrodes for solar fuel generation. Low carrier recombination in the photoelectrodes leads to high photocurrents and photovoltages. The SiHJ was designed and fabricated into both photoanode and photocathode with high oxygen and hydrogen evolution efficiency, respectively, by simply coating of a thin layer of catalytic materials. The SiHJ photoanode with sol-gel NiOx as the catalyst shows a current density of 21.48 mA/cm2 at the equilibrium water oxidation potential. The SiHJ photocathode with 2 nm sputter-coated Pt catalyst displays excellent hydrogen evolution performance with an onset potential of 0.640 V and a solar to hydrogen conversion efficiency of 13.26%, which is the highest ever reported for Si-based photocathodes. © 2015 American Chemical Society.

  19. Overview of C/C-SiC Composite Development for the Orion Launch Abort System

    Science.gov (United States)

    Allen, Lee R.; Valentine, Peter G.; Schofield, Elizabeth S.; Beshears, Ronald D.; Coston, James E.

    2012-01-01

    Past and present efforts by the authors to further understanding of the ceramic matrix composite (CMC) material used in the valve components of the Orion Launch Abort System (LAS) Attitude Control Motor (ACM) will be presented. The LAS is designed to quickly lift the Orion Crew Exploration Vehicle (CEV) away from its launch vehicle in emergency abort scenarios. The ACM is a solid rocket motor which utilizes eight throttleable nozzles to maintain proper orientation of the CEV during abort operations. Launch abort systems have not been available for use by NASA on manned launches since the last Apollo ]Saturn launch in 1975. The CMC material, carbon-carbon/silicon-carbide (C/C-SiC), is manufactured by Fiber Materials, Inc. and consists of a rigid 4-directional carbon-fiber tow weave reinforced with a mixed carbon plus SiC matrix. Several valve and full system (8-valve) static motor tests have been conducted by the motor vendor. The culmination of these tests was the successful flight test of the Orion LAS Pad Abort One (PA ]1) vehicle on May 6, 2010. Due to the fast pace of the LAS development program, NASA Marshall Space Flight Center assisted the LAS community by performing a series of material and component evaluations using fired hardware from valve and full ]system development motor tests, and from the PA-1 flight ACM motor. Information will be presented on the structure of the C/C-SiC material, as well as the efficacy of various non ]destructive evaluation (NDE) techniques, including but not limited to: radiography, computed tomography, nanofocus computed tomography, and X-ray transmission microscopy. Examinations of the microstructure of the material via scanning electron microscopy and energy dispersive spectroscopy will also be discussed. The findings resulting from the subject effort are assisting the LAS Project in risk assessments and in possible modifications to the final ACM operational design.

  20. Electronic properties of {mu}c-Si:H layers investigated with Hall measurements

    Energy Technology Data Exchange (ETDEWEB)

    Bronger, T.

    2007-02-28

    In the present work, the electronic properties of thin layers of PECVD-grown {mu}c-Si:H have been examined using the Hall effect. The main focus was on the mobility of the carriers because this is a crucial limiting factor for the electronic quality of this material, however, the density of free carriers as well as the conductivity were also determined. In order to get a picture as comprehensive as possible, a sample matrix was studied consisting of samples with different n-type doping levels and different crystallinities. Additionally, doped samples with artificially implanted defects which could be annealed gradually were investigated. All measurements have been made temperature-dependently. During the work, a new computer control and analysis program was developed from scratch for the Hall setup. It allows for high automation as well as comprehensive error estimation, both of which being very important for high ohmic samples. All samples showed a thermally activated mobility and carrier concentration, however, there is no single activation energy. Instead, all Arrhenius plots exhibited a more or less pronounced convex curvature. This curvature was identified with the parallel connection of a broad distribution of barriers in the material, which are limiting to the transport and are overcome by thermoionic emission. From this, the model of normally distributed barriers (NDB) was derived, mathematically investigated, and successfully applied to the experimental data of this work and (for not too highly doped samples) of other works. As a significant validation of the NDB model, the relative room-temperature mobility values could be calculated just from the Arrhenius slopes and curvatures. A very important dependence turned out to be mobility versus carrier concentration. In particular the annealed sample showed a clear {mu} {proportional_to} n{sup 1/2} behaviour, which could be backed with the sample matrix. Additionally, Hall measurements on HWCVD-grown {mu}c-Si

  1. Low temperature characteristic of ITO/SiO x /c-Si heterojunction solar cell

    Science.gov (United States)

    Du, H. W.; Yang, J.; Li, Y.; Gao, M.; Chen, S. M.; Yu, Z. S.; Xu, F.; Ma, Z. Q.

    2015-09-01

    Based on the temperature-dependent measurements and the numerical calculation, the temperature response of the photovoltaic parameters for a ITO/SiO x /c-Si heterojunction solar cell have been investigated in the ascending sorting of 10-300 K. Under unique energy concentrated photon irradiation with the wavelength of 405 nm and power density of 667 mW cm-2, it was found that the short-circuit current (I SC) was nonlinearly increased and the open-circuit voltage (V OC) decreased with temperature. The good passivation of the ITO/c-Si interface by a concomitant SiO x buffer layer leads to the rare recombination of carriers in the intermediate region. The inversion layer model indicated that the band gap of c-silicon was narrowed and the Fermi level of n-type silicon (E\\text{F}n ) tended to that of the intrinsic Fermi level (E\\text{F}i ) (in the middle of band gap) with the increase of the temperature, which lessened the built-in voltage (V D) and thus the V OC. However, the reduction by 90% of V OC is attributed to the shift of E\\text{F}n in c-silicon rather than the energy band narrowing. Through the analysis of the current-voltage relationship and the data fitting, we infer that the series resistance (R s) is not responsible for the increase of I SC, but the absorption coefficient and the depletion-width of c-silicon are the causes of the enhancing I SC. Mostly, the interaction of the photon-generated excess ‘cold hole’ and the acoustic phonon in n-Si would influence the variation of I ph or I SC with temperature.

  2. Impact Resistance of EBC Coated SiC/SiC Composites

    Science.gov (United States)

    Fox, Dennis S.; Bhatt, Ramakrishna T.; Choi, Sung R.; Cosgriff, Laura M.; Fox, Dennis s.; Lee, Kang N.

    2008-01-01

    Impact performance of 2-D woven SiC/SiC composites coated with 225 and 525 m thick environmental barrier coating (EBC) was investigated. The composites were fabricated by melt infiltration and the EBC was deposited by plasma spray. Impact tests were conducted at room temperature and at 1316 C in air using 1.59-mm diameter steel-balls at projectile velocities ranging from 110 to 375 m/s. Both microscopy and nondestructive evaluation (NDE) methods were used to determine the extent of damage in the substrate and coating with increasing projectile velocity. The impacted specimens were tensile tested at room temperature to determine their residual mechanical properties. At projectile velocities less than 125 m/s, no detectable damage was noticed in the MI SiC/SiC composites coated with 525 m EBC. With increase in projectile velocity beyond this value, spallation of EBC layers, delamination of fiber plies, and fiber fracture were detected. At a fixed projectile velocity, the composites coated with 525 m EBC showed less damage than the composite coated with 225 m EBC. Both types of EBC coated composites retained a large fraction of the baseline properties of as-fabricated composites and exhibited non-brittle failure after impact testing at projectile velocities up to 375 m/s. Exposure of impact tested specimens in a moisture environment at 1316 C for 500 hr indicated that the through-the-thickness cracks in the EBC coating and delamination cracks in the substrate generated after impact testing acted as conduits for internal oxidation.

  3. Triple Layer Antireflection Design Concept for the Front Side of c-Si Heterojunction Solar Cell Based on the Antireflective Effect of nc-3C-SiC:H Emitter Layer

    Directory of Open Access Journals (Sweden)

    Erick Omondi Ateto

    2016-01-01

    Full Text Available We investigated the antireflective (AR effect of hydrogenated nanocrystalline cubic silicon carbide (nc-3C-SiC:H emitter and its application in the triple layer AR design for the front side of silicon heterojunction (SHJ solar cell. We found that the nc-3C-SiC:H emitter can serve both as an emitter and antireflective coating for SHJ solar cell, which enables us to realize the triple AR design by adding one additional dielectric layer to normally used SHJ structure with a transparent conductive oxide (TCO and an emitter layer. The optimized SHJ structure with the triple layer AR coating (LiF/ITO/nc-3C-SiC:H exhibit a short circuit current density (Jsc of 38.65 mA/cm2 and lower reflectivity of about 3.42% at wavelength range of 300 nm–1000 nm.

  4. High-efficient production of SiC/SiO2 core-shell nanowires for effective microwave absorption

    KAUST Repository

    Zhong, Bo

    2017-02-21

    In the current report, we have demonstrated that the high-efficient production of SiC/SiO2 core-shell nanowires can be achieved through the introduction of trace of water vapor during the chemical vapor deposition process. The yield of the SiC/SiO2 core-shell nanowires is dramatically improved due to the introduction of water vapor. The SiC/SiO2 core-shell nanowires exhibit an excellent microwave absorption property in the frequency range of 2.0–18.0GHz with a very low weight percentage of 0.50wt.% in the absorbers. A minimum reflection loss value of −32.72dB (>99.99% attenuation) at 13.84GHz has been observed with the absorber thickness of 3.0mm. Moreover, the SiC/SiO2 core-shell nanowires based absorber can reach an effective absorption bandwidth (<−10dB) of 5.32GHz with the absorber thickness of 3.5mm. Furthermore, a possible absorption mechanism is also proposed in detail for such effective attenuation of microwave which can be attributed to the dielectric loss and magnetic loss of SiC/SiO2 core-shell nanowires.

  5. High-Temperature (1200-1400°C) Dry Oxidation of 3C-SiC on Silicon

    Science.gov (United States)

    Sharma, Y. K.; Li, F.; Jennings, M. R.; Fisher, C. A.; Pérez-Tomás, A.; Thomas, S.; Hamilton, D. P.; Russell, S. A. O.; Mawby, P. A.

    2015-11-01

    In a novel approach, high temperatures (1200-1400°C) were used to oxidize cubic silicon carbide (3C-SiC) grown on silicon substrate. High-temperature oxidation does not significantly affect 3C-SiC doping concentration, 3C-SiC structural composition, or the final morphology of the SiO2 layer, which remains unaffected even at 1400°C (the melting point of silicon is 1414°C). Metal-oxide-semiconductor capacitors (MOS-C) and lateral channel metal-oxide-semiconductor field-effect-transistors (MOSFET) were fabricated by use of the high-temperature oxidation process to study 3C-SiC/SiO2 interfaces. Unlike 4H-SiC MOSFET, there is no extra benefit of increasing the oxidation temperature from 1200°C to 1400°C. All the MOSFET resulted in a maximum field-effect mobility of approximately 70 cm2/V s.

  6. Control of epitaxial growth at a-Si:H/c-Si heterointerface by the working pressure in PECVD

    Science.gov (United States)

    Shen, Yanjiao; Chen, Jianhui; Yang, Jing; Chen, Bingbing; Chen, Jingwei; Li, Feng; Dai, Xiuhong; Liu, Haixu; Xu, Ying; Mai, Yaohua

    2016-11-01

    The epitaxial-Si (epi-Si) growth on the crystalline Si (c-Si) wafer could be tailored by the working pressure in plasma-enhanced chemical vapor deposition (PECVD). It has been systematically confirmed that the epitaxial growth at the hydrogenated amorphous silicon (a-Si:H)/c-Si interface is suppressed at high pressure (hp) and occurs at low pressure (lp). The hp a-Si:H, as a purely amorphous layer, is incorporated in the lp-epi-Si/c-Si interface. We find that: (i) the epitaxial growth can also occur at a-Si:H coated c-Si wafer as long as this amorphous layer is thin enough; (ii) with the increase of the inserted hp layer thickness, lp epi-Si at the interface is suppressed, and the fraction of a-Si:H in the thin films increases and that of c-Si decreases, corresponding to the increasing minority carrier lifetime of the sample. Not only the epitaxial results, but also the quality of the thin films at hp also surpasses that at lp, leading to the longer minority carrier lifetime of the hp sample than the lp one although they have the same amorphous phase. Project supported by the Natural Science Foundation of Hebei Province, China (Grant No. E2015201203) and the International Society for Theoretical Chemical Physics of China (Grant No. 2015DFE62900).

  7. Neutron irradiation and frequency effects on the electrical conductivity of nanocrystalline silicon carbide (3C-SiC)

    Science.gov (United States)

    Huseynov, Elchin

    2016-09-01

    In this present work nanocrystalline silicon carbide (3C-SiC) has been irradiated with neutron flux (∼ 2 ×1013 ncm-2s-1) up to 20 hours at different periods. Electrical conductivity of nanocrystalline 3C-SiC particles (∼18 nm) is comparatively analyzed before and after neutron irradiation. The frequency dependencies of electrical conductivity of 3C-SiC nanoparticles is reviewed at 100 K-400 K temperature range before and after irradiation. The measurements were carried out at 0.1 Hz-2.5 MHz frequency ranges and at different temperatures. Radiation-induced conductivity (RIC) was observed in the nanocrystalline 3C-SiC particles after neutron irradiation and this conductivity study as a function of frequency are presented. The type of conductivity has been defined based on the interdependence between real and imaginary parts of electrical conductivity function. Based on the obtained results the mechanism behind the electrical conductivity of nanocrystalline 3C-SiC particles is explained in detail.

  8. Uniform Free-Energy Profiles of the P-O Bond Formation and Cleavage Reactions Catalyzed by DNA Polymerases β and λ.

    Science.gov (United States)

    Klvaňa, Martin; Bren, Urban; Florián, Jan

    2016-12-29

    Human X-family DNA polymerases β (Polβ) and λ (Polλ) catalyze the nucleotidyl-transfer reaction in the base excision repair pathway of the cellular DNA damage response. Using empirical valence bond and free-energy perturbation simulations, we explore the feasibility of various mechanisms for the deprotonation of the 3'-OH group of the primer DNA strand, and the subsequent formation and cleavage of P-O bonds in four Polβ, two truncated Polλ (tPolλ), and two tPolλ Loop1 mutant (tPolλΔL1) systems differing in the initial X-ray crystal structure and nascent base pair. The average calculated activation free energies of 14, 18, and 22 kcal mol(-1) for Polβ, tPolλ, and tPolλΔL1, respectively, reproduce the trend in the observed catalytic rate constants. The most feasible reaction pathway consists of two successive steps: specific base (SB) proton transfer followed by rate-limiting concerted formation and cleavage of the P-O bonds. We identify linear free-energy relationships (LFERs) which show that the differences in the overall activation and reaction free energies among the eight studied systems are determined by the reaction free energy of the SB proton transfer. We discuss the implications of the LFERs and suggest pKa of the 3'-OH group as a predictor of the catalytic rate of X-family DNA polymerases.

  9. Un-catalyzed peptide bond formation between two monomers of glycine, alanine, serine, threonine, and aspartic acid in gas phase: a density functional theory study

    Science.gov (United States)

    Bhunia, Snehasis; Singh, Ajeet; Ojha, Animesh K.

    2016-05-01

    In the present report, un-catalyzed peptide bond formation between two monomers of glycine (Gly), alanine (Ala), serine (Ser), threonine (Thr), and aspartic acid (Asp) has been investigated in gas phase via two steps reaction mechanism and concerted mechanism at B3LYP/6-31G(d,p) and M062X/6-31G(d,p) level of theories. The peptide bond is formed through a nucleophilic reaction via transition states, TS1 and TS2 in stepwise mechanism. The TS1 reveals formation of a new C-N bond while TS2 illustrate the formation of C=O bond. In case of concerted mechanism, C-N bond is formed by a single four-centre transition state (TS3). The energy barrier is used to explain the involvement of energy at each step of the reaction. The energy barrier (20-48 kcal/mol) is required for the transformation of reactant state R1 to TS1 state and intermediate state I1 to TS2 state. The large value of energy barrier is explained in terms of distortion and interaction energies for stepwise mechanism. The energy barrier of TS3 in concerted mechanism is very close to the energy barrier of the first transition state (TS1) of the stepwise mechanism for the formation of Gly-Gly and Ala-Ala di- peptide. However, in case of Ser-Ser, Thr-Thr and Asp-Asp di-peptide, the energy barrier of TS3 is relatively high than that of the energy barrier of TS1 calculated at B3LYP/6-31G(d,p) and M062X/6-31G(d,p) level of theories. In both the mechanisms, the value of energy barrier calculated at B3LYP/6-31G(d,p) level of theory is greater than that of the value calculated at M062X/6-31G(d,p) level of theory.

  10. Comparisons of Damage Evolution between 2D C/SiC and SiC/SiC Ceramic-Matrix Composites under Tension-Tension Cyclic Fatigue Loading at Room and Elevated Temperatures

    Directory of Open Access Journals (Sweden)

    Longbiao Li

    2016-10-01

    Full Text Available In this paper, comparisons of damage evolution between 2D C/SiC and SiC/SiC ceramic-matrix composites (CMCs under tension–tension cyclic fatigue loading at room and elevated temperatures have been investigated. Fatigue hysteresis loops models considering multiple matrix cracking modes in 2D CMCs have been developed based on the damage mechanism of fiber sliding relative to the matrix in the interface debonded region. The relationships between the fatigue hysteresis loops, fatigue hysteresis dissipated energy, fatigue peak stress, matrix multiple cracking modes, and interface shear stress have been established. The effects of fiber volume fraction, fatigue peak stress and matrix cracking mode proportion on fatigue hysteresis dissipated energy and interface debonding and sliding have been analyzed. The experimental fatigue hysteresis dissipated energy of 2D C/SiC and SiC/SiC composites at room temperature, 550 °C, 800 °C, and 1100 °C in air, and 1200 °C in vacuum corresponding to different fatigue peak stresses and cycle numbers have been analyzed. The interface shear stress degradation rate has been obtained through comparing the experimental fatigue hysteresis dissipated energy with theoretical values. Fatigue damage evolution in C/SiC and SiC/SiC composites has been compared using damage parameters of fatigue hysteresis dissipated energy and interface shear stress degradation rate. It was found that the interface shear stress degradation rate increases at elevated temperature in air compared with that at room temperature, decreases with increasing loading frequency at room temperature, and increases with increasing fatigue peak stress at room and elevated temperatures.

  11. Molecular chirality and chiral capsule-type dimer formation of cyclic triamides via hydrogen-bonding interactions.

    Science.gov (United States)

    Fujimoto, Noriko; Matsumura, Mio; Azumaya, Isao; Nishiyama, Shizuka; Masu, Hyuma; Kagechika, Hiroyuki; Tanatani, Aya

    2012-05-18

    Chiral properties of bowl-shaped cyclic triamides bearing functional groups with hydrogen-bonding ability were examined. Chiral induction of cyclic triamide 3a was observed by addition of chiral amine in solution, and chiral separation was achieved by simple crystallization to afford chiral capsule-type dimer structure of 4a.

  12. Experimental and theoretical evaluation of the reactions leading to formation of internal double bonds in suspension PVC

    NARCIS (Netherlands)

    Purmova, Jindra; Pauwels, Kim F. D.; Agostini, Michela; Bruinsma, Maarten; Vorenkamp, Eltio J.; Schouten, Arend J.; Coote, Michelle L.

    2008-01-01

    The number of internal double bonds in poly(vinyl chloride) (PVC) samples was studied as a function of molecular weight at various monomer conversions. These defect structures were found to exhibit end-group-like characteristics: their concentration per chain was largely constant as a function of mo

  13. Formation and reshuffling of disulfide bonds in bovine serum albumin demonstrated using tandem mass spectrometry with collision-induced and electron-transfer dissociation.

    Science.gov (United States)

    Rombouts, Ine; Lagrain, Bert; Scherf, Katharina A; Lambrecht, Marlies A; Koehler, Peter; Delcour, Jan A

    2015-07-20

    Thermolysin hydrolyzates of freshly isolated, extensively stored (6 years, 6 °C, dry) and heated (60 min, 90 °C, in excess water) bovine serum albumin (BSA) samples were analyzed with liquid chromatography (LC) electrospray ionization (ESI) tandem mass spectrometry (MS/MS) using alternating electron-transfer dissociation (ETD) and collision-induced dissociation (CID). The positions of disulfide bonds and free thiol groups in the different samples were compared to those deduced from the crystal structure of native BSA. Results revealed non-enzymatic posttranslational modifications of cysteine during isolation, extensive dry storage, and heating. Heat-induced extractability loss of BSA was linked to the impact of protein unfolding on the involvement of specific cysteine residues in intermolecular and intramolecular thiol-disulfide interchange and thiol oxidation reactions. The here developed approach holds promise for exploring disulfide bond formation and reshuffling in various proteins under conditions relevant for chemical, biochemical, pharmaceutical and food processing.

  14. Creep Behavior of Hafnia and Ytterbium Silicate Environmental Barrier Coating Systems on SiC/SiC Ceramic Matrix Composites

    Science.gov (United States)

    Zhu, Dongming; Fox, Dennis S.; Ghosn, Louis J.; Harder, Bryan

    2011-01-01

    Environmental barrier coatings will play a crucial role in future advanced gas turbine engines because of their ability to significantly extend the temperature capability and stability of SiC/SiC ceramic matrix composite (CMC) engine components, thus improving the engine performance. In order to develop high performance, robust coating systems for engine components, appropriate test approaches simulating operating temperature gradient and stress environments for evaluating the critical coating properties must be established. In this paper, thermal gradient mechanical testing approaches for evaluating creep and fatigue behavior of environmental barrier coated SiC/SiC CMC systems will be described. The creep and fatigue behavior of Hafnia and ytterbium silicate environmental barrier coatings on SiC/SiC CMC systems will be reported in simulated environmental exposure conditions. The coating failure mechanisms will also be discussed under the heat flux and stress conditions.

  15. Variation of carrier concentration and interface trap density in 8MeV electron irradiated c-Si solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Bhat, Sathyanarayana, E-mail: asharao76@gmail.com; Rao, Asha, E-mail: asharao76@gmail.com [Department of Physics, Mangalore Institute of Technology and Engineering, Moodabidri, Mangalore-574225 (India); Krishnan, Sheeja [Department of Physics, Sri Devi Institute of Technology, Kenjar, Mangalore-574142 (India); Sanjeev, Ganesh [Microtron Centre, Department of Physics, Mangalore University, Mangalagangothri-574199 (India); Suresh, E. P. [Solar Panel Division, ISRO Satellite Centre, Bangalore-560017 (India)

    2014-04-24

    The capacitance and conductance measurements were carried out for c-Si solar cells, irradiated with 8 MeV electrons with doses ranging from 5kGy – 100kGy in order to investigate the anomalous degradation of the cells in the radiation harsh environments. Capacitance – Voltage measurements indicate that there is a slight reduction in the carrier concentration upon electron irradiation due to the creation of radiation induced defects. The conductance measurement results reveal that the interface state densities and the trap time constant increases with electron dose due to displacement damages in c-Si solar cells.

  16. Characterization of a SiC/SiC composite by X-ray diffraction, atomic force microscopy and positron spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Brauer, G. [Institut fuer Ionenstrahlphysik und Materialforschung, Forschungszentrum Rossendorf e.V., PF 510119, D-01314 Dresden (Germany)]. E-mail: g.brauer@fz-rossendorf.de; Anwand, W. [Institut fuer Ionenstrahlphysik und Materialforschung, Forschungszentrum Rossendorf e.V., PF 510119, D-01314 Dresden (Germany); Eichhorn, F. [Institut fuer Ionenstrahlphysik und Materialforschung, Forschungszentrum Rossendorf e.V., PF 510119, D-01314 Dresden (Germany); Skorupa, W. [Institut fuer Ionenstrahlphysik und Materialforschung, Forschungszentrum Rossendorf e.V., PF 510119, D-01314 Dresden (Germany); Hofer, C. [Institut fuer Physik, Montanuniversitaet Leoben, Franz Josef Str. 18, A-8700 Leoben (Austria); Teichert, C. [Institut fuer Physik, Montanuniversitaet Leoben, Franz Josef Str. 18, A-8700 Leoben (Austria); Kuriplach, J. [Department of Low Temperature Physics, Faculty of Mathematics and Physics, Charles University, V Holesovickach 2, CZ-180 00 Prague (Czech Republic); Cizek, J. [Department of Low Temperature Physics, Faculty of Mathematics and Physics, Charles University, V Holesovickach 2, CZ-180 00 Prague (Czech Republic); Prochazka, I. [Department of Low Temperature Physics, Faculty of Mathematics and Physics, Charles University, V Holesovickach 2, CZ-180 00 Prague (Czech Republic); Coleman, P.G. [Department of Physics, University of Bath, Bath BA2 7 AY (United Kingdom); Nozawa, T. [Metals and Ceramics Division, Oak Ridge National Laboratory, P.O. Box 2008, MS6151, Oak Ridge, TN 37831-6151 (United States); Kohyama, A. [Institute of Advanced Energy, Kyoto University, Gokasho, Uji, Kyoto 611-0011 (Japan)

    2006-02-28

    A SiC/SiC composite is characterized by X-ray diffraction, atomic force microscopy and various positron spectroscopies (slow positron implantation, positron lifetime and re-emission). It is found that besides its main constituent 3C-SiC the composite still must contain some graphite. In order to better interpret the experimental findings of the composite, a pyrolytic graphite sample was also investigated by slow positron implantation and positron lifetime spectroscopies. In addition, theoretical calculations of positron properties of graphite are presented.

  17. Free-Radical Triggered Ordered Domino Reaction: An Approach to C-C Bond Formation via Selective Functionalization of α-Hydroxyl-(sp(3))C-H in Fluorinated Alcohols.

    Science.gov (United States)

    Xu, Zhengbao; Hang, Zhaojia; Liu, Zhong-Quan

    2016-09-16

    A free-radical mediated highly ordered radical addition/cyclization/(sp(3))C-C(sp(3)) formation domino reaction is developed. Three new C-C bonds are formed one by one in a mixed system. Furthermore, it represents the first example of cascade C-C bond formation via selective functionalization of α-hydroxyl-C(sp(3))-H in fluorinated alcohols.

  18. Grafting of diazonium salts on oxides surface: formation of aryl-O bonds on iron oxide nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Brymora, Katarzyna [LUNAM Université du Maine, IMMM UMR CNRS 6283 (France); Fouineau, Jonathan; Eddarir, Asma; Chau, François [Université Paris Diderot, Sorbonne Paris Cité, ITODYS CNRS UMR 7086 (France); Yaacoub, Nader; Grenèche, Jean-Marc [LUNAM Université du Maine, IMMM UMR CNRS 6283 (France); Pinson, Jean; Ammar, Souad [Université Paris Diderot, Sorbonne Paris Cité, ITODYS CNRS UMR 7086 (France); Calvayrac, Florent, E-mail: florent.calvayrac@univ-lemans.fr [LUNAM Université du Maine, IMMM UMR CNRS 6283 (France)

    2015-11-15

    Combining ab initio modeling and {sup 57}Fe Mössbauer spectrometry, we characterized the nature of the chemical linkage of aminoalkyl arenediazonium salt on the surface of iron oxide nanoparticles. We established that it is built through a metal–oxygen–carbon bonding and not a metal–carbon one, as usually suggested and commonly observed in previously studied metal- or carbon-based surfaces.

  19. High quality epitaxial graphene by hydrogen-etching of 3C-SiC(111) thin-film on Si(111).

    Science.gov (United States)

    Mondelli, Pierluigi; Gupta, Bharati; Betti, Maria Grazia; Mariani, Carlo; Duffin, Josh Lipton; Motta, Nunzio

    2017-03-17

    Etching with atomic hydrogen, as a preparation step before the high-temperature growth process of graphene onto a thin 3C-SiC film grown on Si(111), greatly improves the structural quality of topmost graphene layers. Pit formation and island coalescence, which are typical of graphene growth by SiC graphitization, are quenched and accompanied by widening of the graphene domain sizes to hundreds of nanometers, and by a significant reduction in surface roughness down to a single substrate bilayer. The surface reconstructions expected for graphene and the underlying layer are shown with atomic resolution by scanning tunnelling microscopy. Spectroscopic features typical of graphene are measured by core-level photoemission and Raman spectroscopy.

  20. High quality epitaxial graphene by hydrogen-etching of 3C-SiC(111) thin-film on Si(111)

    Science.gov (United States)

    Mondelli, Pierluigi; Gupta, Bharati; Grazia Betti, Maria; Mariani, Carlo; Lipton Duffin, Josh; Motta, Nunzio

    2017-03-01

    Etching with atomic hydrogen, as a preparation step before the high-temperature growth process of graphene onto a thin 3C-SiC film grown on Si(111), greatly improves the structural quality of topmost graphene layers. Pit formation and island coalescence, which are typical of graphene growth by SiC graphitization, are quenched and accompanied by widening of the graphene domain sizes to hundreds of nanometers, and by a significant reduction in surface roughness down to a single substrate bilayer. The surface reconstructions expected for graphene and the underlying layer are shown with atomic resolution by scanning tunnelling microscopy. Spectroscopic features typical of graphene are measured by core-level photoemission and Raman spectroscopy.

  1. The new C-C bond formation in the reaction of o-amidophenolate indium(III) complex with alkyl iodides.

    Science.gov (United States)

    Piskunov, Alexandr V; Meshcheryakova, Irina N; Fukin, Georgy K; Shavyrin, Andrei S; Cherkasov, Vladimir K; Abakumov, Gleb A

    2013-08-07

    The reaction of bis(4,6-di-tert-butyl-N-(2,6-di-iso-propylphenyl)-o-amidophenolato)indium(III) anion with alkyl iodides is reported. This process includes oxidative addition of two RI (R = Me, Et) molecules to the non-transition metal complex and results in an alkyl transfer to ring carbon atoms with the formation of two new C-C bonds. The interaction proceeds at mild conditions and gives new indium(III) derivatives containing iminocyclohexa-1,4-dienolate type ligands.

  2. First principle study on B-Al co-doped 3C-SiC%B-Al共掺杂3C-SiC的第一性原理研究

    Institute of Scientific and Technical Information of China (English)

    周鹏力; 史茹倩; 何静芳; 郑树凯

    2013-01-01

    The lattice parameters, band structure, density of states, effective mass, carrier concentration and electrical resistivity of 3C-SiC in different doped forms (undoped, B-doped, Al-doped and B-Al co-doped) are calculated using the plane wave ultrasoft pseudopotential based on density functional theory. Calculations indicate that as the B or Al replaces Si atoms, both the conduction band and valence band shift to higher energy level. The top of valence band shifts quicker, resulting in the decrease of the band gap. B-Al co-doped 3C-SiC shows the narrowest bandgap while the pure one has the widest. Effective mass of B-doped 3C-SiC decreases but that of Al-doped 3C-SiC increases;while B-Al co-doped 3C-SiC effective mass, whose value approaches to the undoped, can be understood in terms of different compensation. As the acceptor impurities, B and Al will greatly increase the carrier density of valence band top, and the carrier density of the co-doped is three times as Large as the B-doped or Al-doped 3C-SiC. In addition, B-Al co-doping has the lowest resistivity among the four doping forms displaying its significant advantages in electrical property.%采用基于密度泛函理论的第一性原理平面波超软赝势法,计算了未掺杂, B, Al单掺杂和B-Al共掺杂的3C-SiC的晶格参数、能带结构、态密度、有效质量、载流子浓度和电阻率.计算结果表明:掺杂后导带和价带都向高能端移动,价带移动速度更快一些,使得禁带宽度都有一定程度的减小,其中B-Al共掺杂的禁带宽度最窄,纯净3C-SiC的禁带宽度最宽;B掺杂会减小价带顶空穴的有效质量, Al掺杂则反之, B-Al共掺杂补偿了二者的差异,和未掺杂的3C-SiC价带顶空穴的有效质量很接近. B和Al作为受主杂质,会极大地提高价带顶空穴载流子的浓度,而且B-Al共掺杂的3C-SiC的价带空穴浓度是B, Al单掺杂时的3倍.4种体系中, B-Al共掺杂得到的电阻率是最低的,同单掺杂

  3. On the c-Si surface passivation mechanism by the negative-charge-dielectric Al2O3

    Science.gov (United States)

    Hoex, B.; Gielis, J. J. H.; van de Sanden, M. C. M.; Kessels, W. M. M.

    2008-12-01

    Al2O3 is a versatile high-κ dielectric that has excellent surface passivation properties on crystalline Si (c-Si), which are of vital importance for devices such as light emitting diodes and high-efficiency solar cells. We demonstrate both experimentally and by simulations that the surface passivation can be related to a satisfactory low interface defect density in combination with a strong field-effect passivation induced by a negative fixed charge density Qf of up to 1013 cm-2 present in the Al2O3 film at the interface with the underlying Si substrate. The negative polarity of Qf in Al2O3 is especially beneficial for the passivation of p-type c-Si as the bulk minority carriers are shielded from the c-Si surface. As the level of field-effect passivation is shown to scale with Qf2, the high Qf in Al2O3 tolerates a higher interface defect density on c-Si compared to alternative surface passivation schemes.

  4. Electrical and thermal conductivities of porous SiC/SiO2/C composites with different morphology from carbonized wood

    NARCIS (Netherlands)

    Sulistyo, Joko; Hata, Toshimitsu; Kitagawa, Hiroyuki; Bronsveld, Paul; Fujisawa, Masashi; Hashimoto, Kozo; Imamura, Yuji

    2010-01-01

    Porous SiC/SiO2/C composites exhibiting a wide range of high thermal and electrical conductivities were developed from carbonized wood infiltrated with SiO2. As a pre-treatment, the samples were either heated at 100 A degrees C or kept at room temperature followed by sintering in the temperature ran

  5. Effective Passivation of C-Si by Intrinsic A-Si:h Layer for hit Solar Cells

    Directory of Open Access Journals (Sweden)

    Shahaji More

    2011-01-01

    Full Text Available The influence of HF solution etching on surface roughness of c-Si wafer was investigated using AFM. Ultra thin(2-3 nm intrinsic a-Si:H is necessary to achieve high VOC and Fill factor, as it effectively passivates the defects on the surface of c-Si and increase tunneling probability of minority charge carriers. However, to achieve control over ultra-thin intrinsic a-Si:H layer thickness and passivation properties, the films were deposited by Hot-wire CVD. We used tantalum filament and silane (SiH4 as a precursor gas, where as the deposition parameter such as filament temperature temperature was varied. The deposition rate, Dark and Photoconductivity were measured for all the films. The optimized intrinsic a-Si:H layer was inserted between p typed doped layers and n type c-Si wafers to fabricate HIT solar cells. The Current-Voltage characteristics were studied to understand the passivation effect of intrinsic layer on c-Si surface. The high saturation current density (Jsat > 10–7 A/cm2 and Ideality factor (n > 2 were observed. We achieved the efficiency of 3.28 % with the optimized intrinsic and doped a-Si:H layers using HWCVD technique.

  6. Effect of heat treatment on microstructure and mechanical properties of PIP-SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Shuang, E-mail: zhsh6007@126.com [Key Laboratory of Advanced Ceramic Fibres and Composites, College of Aerospace and Materials Engineering, National University of Defense Technology, Changsha 410073 (China); School of Mechanical, Aerospace, and Civil Engineering, University of Manchester, Manchester M13 9PL (United Kingdom); Zhou, Xingui; Yu, Jinshan [Key Laboratory of Advanced Ceramic Fibres and Composites, College of Aerospace and Materials Engineering, National University of Defense Technology, Changsha 410073 (China); Mummery, Paul [School of Mechanical, Aerospace, and Civil Engineering, University of Manchester, Manchester M13 9PL (United Kingdom)

    2013-01-01

    Continuous SiC fibre reinforced SiC matrix composites (SiC/SiC) have been studied as materials for heat resistant and nuclear applications. Thermal stability is one of the key issues for SiC/SiC composites. In this study, 3D SiC/SiC composites are fabricated via the polymer impregnation and pyrolysis (PIP) process, and then heat treated at 1400 Degree-Sign C, 1600 Degree-Sign C and 1800 Degree-Sign C in an inert atmosphere for 1 h, respectively. The effect of heat treatment on microstructure and mechanical properties of the composites is investigated. The results indicate that the mechanical properties of the SiC/SiC composites are significantly improved after heat treatment at 1400 Degree-Sign C mainly because the mechanical properties of the matrix are greatly improved due to crystallisation. With the increasing of heat treatment temperature, the properties of the composites are conversely decreased because of severe damage of the fibres and the matrix.

  7. Monitoring the Recovery of c-Si Modules from Potential-Induced Degradation Using Suns-Voc Curves

    Energy Technology Data Exchange (ETDEWEB)

    Wilterdink, Harrison; Sinton, Ronald; Hacke, Peter; Terwilliger, Kent; Meydbray, Jenya

    2016-11-21

    Potential-induced degradation (PID) has recently been shown as an important failure mode in c-Si modules. We demonstrate the utility of Suns-Voc analysis for measuring shunt effects caused by PID at the module level. Our results show module shunt resistance increasing in step with module power during recovery from the degraded state.

  8. The effect of grain size and phosphorous-doping of polycrystalline 3C-SiC on infrared reflectance spectra

    Energy Technology Data Exchange (ETDEWEB)

    Rooyen, I.J. van, E-mail: Isabella.vanRooyen@inl.gov [Fuel Performance and Design Department, Idaho National Laboratory, Idaho Falls, ID 83415-6188 (United States); Department of Physics, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa); Engelbrecht, J.A.A. [Department of Physics, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa); Henry, A.; Janzen, E. [Department of Physics, Chemistry and Biology, Semiconductor Materials, Linkoeping University, Linkoeping 58183 (Sweden); Neethling, J.H. [Department of Physics, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa); Rooyen, P.M. van [Philip M van Rooyen Network Consultants, Midlands Estates (South Africa)

    2012-03-15

    Highlights: Black-Right-Pointing-Pointer IR is investigated as a technique to measure grain size and P-doping of polycrystalline SiC. Black-Right-Pointing-Pointer Infrared plasma minima can be used to determine doping levels in 3C-SiC for doping levels greater than 5 Multiplication-Sign 10{sup 17} cm{sup -3}. Black-Right-Pointing-Pointer A linear relationship is found between FWHM and the inverse of grain size of 3C-SiC irrespective of P-doping level. Black-Right-Pointing-Pointer It is further found that {omega}{sub p} is not influenced by the grain size. Black-Right-Pointing-Pointer P-doping level has no significant effect on the linear relationship between grain size and surface roughness. - Abstract: The effect of P-doping and grain size of polycrystalline 3C-SiC on the infrared reflectance spectra is reported. The relationship between grain size and full width at half maximum (FWHM) suggest that the behavior of the 3C-SiC with the highest phosphorous doping level (of 1.2 Multiplication-Sign 10{sup 19} at. cm{sup -3}) is different from those with lower doping levels (<6.6 Multiplication-Sign 10{sup 18} at. cm{sup -3}). It is also further demonstrated that the plasma resonance frequency ({omega}{sub p}) is not influenced by the grain size.

  9. Modelling on c-Si/a-Si:H wire solar cells: some key parameters to optimize the photovoltaic performance

    Directory of Open Access Journals (Sweden)

    Alvarez J.

    2012-07-01

    Full Text Available Solar cells based on silicon nano- or micro-wires have attracted much attention as a promising path for low cost photovoltaic technology. The key point of this structure is the decoupling of the light absorption from the carriers collection. In order to predict and optimize the performance potential of p- (or n- doped c-Si/ n-(or p- doped a-Si:H nanowire-based solar cells, we have used the Silvaco-Atlas software to model a single-wire device. In particular, we have noticed a drastic decrease of the open-circuit voltage (Voc when increasing the doping density of the silicon core beyond an optimum value. We present here a detailed study of the parameters that can alter the Voc of c-Si(p/a-Si:H (n wires according to the doping density in c-Si. A comparison with simulation results obtained on planar c-Si/a-Si:H heterojunctions shows that the drop in Voc, linked to an increase of the dark current in both structures, is more pronounced for radial junctions due to geometric criteria. These numerical modelling results have lead to a better understanding of transport phenomena within the wire.

  10. Improvement of anti-oxidation properties of carbon fibers by SiC/SiO2 ceramic coating.

    Science.gov (United States)

    Kim, Bo-Hye; Yang, Kap Seung; Woo, Hee-Gweon; Kim, Su Yeun

    2011-08-01

    To improve the anti-oxidation properties of carbon fibers (CFs), the sol-gel method followed by pyrolysis was used to coat CFs with SiC/SiO2 ceramic coatings. The SiO2 sol-gel coating was performed by dip coating a PAN(polyacrylonitrile)-based stabilized fiber (PSF) in a silica sol prepared by the polycondensation of tetraethylorthosilicate (TEOS) in the presence of an acidic catalyst. The PSF coated with SiO2 sol then underwent heat treatments at high temperatures in an inert atmosphere to deposit the SiC/SiO2 and carbonize the deposited fibers. The surface morphology of the CFs deposited with SiC/SiO2 was characterized using a scanning electron microscope (SEM). The relative oxidation resistance of the SiC/SiO2 layer deposited on the CFs was determined by the weight loss due to the use of a thermogravimetric analyzer (TGA) under flowing air, and the data were used to calculate the activation energies through an Arrhenius plot.

  11. Growth of ternary and quaternary cubic III-nitrides on 3C-SiC substrates

    Energy Technology Data Exchange (ETDEWEB)

    Schoermann, J.; Potthast, S.; Schnietz, M.; Li, S.F.; As, D.J.; Lischka, K. [Department of Physics, University of Paderborn, Warburger Str. 100, 33095 Paderborn (Germany)

    2006-06-15

    Cubic GaN, Al{sub x}Ga{sub 1-x}N/GaN multiple quantum wells and quaternary Al{sub x}Ga{sub y}In{sub 1-x-y}N layers were grown by plasma assisted molecular beam epitaxy on 3C-SiC substrates. Using the intensity of a reflected high energy electron beam as a probe optimum growth conditions of c-III nitrides were found, when a 1 monolayer Ga coverage is formed at the growing surface. Clear RHEED oscillations during the initial growth of Al{sub x}Ga{sub 1-x}N/GaN quantum wells were observed. X-ray diffraction measurements of these quantum well structures show clear satellite peaks indicating smooth interfaces. Growth of quaternary Al{sub x}Ga{sub y}In{sub 1-x-y}N lattice matched to GaN were demonstrated. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  12. Network structure and its effects on the strength of Fe-C-Si-Mn alloy castings

    Institute of Scientific and Technical Information of China (English)

    ZHANG Ding-fei; PENG Jian; XU Xing-zhi

    2004-01-01

    Fe-C-Si-Mn alloy castings used as blades in hydroelectric generators are studied and found to contain network structures after some heat treatments. Castings after annealing and normalizing were analyzed by microscope and transmission electron microscopy (TEM). The network formed during annealing was proved by TEM to be pearlite with very fine slices, while that formed during normalizing was proved by TEM and micro-hardness to be martensite or bainite. A theoretical analysis together with experimental studies has proved that the pearlite network is caused by carbon content increase in the interdendritic regions to which carbon atoms transfered from dendritic arms due to lower manganese content there during annealing, while the martensite or bainite network results from the higher hardenability of interdendritic regions where manganese content is higher.Experiments reveal that higher heating temperature or longer heating time enlarges the network size due to manganese homogenization. The network structure has a strengthening function like reinforcing rib, and the smaller the network size, the greater its strengthening capability.

  13. FRACTURE RESISTANCE OF 3D-C/SiC COMPOSITES AT 1300℃

    Institute of Scientific and Technical Information of China (English)

    G.C.Ji; S.R.Qiao; S.M.Du; M.Li; D.Han; J.N.Wei

    2004-01-01

    Based on the energy conservation, the elastic energy linked to the compliance change,non-elastic energy dissipated by irreversible deformation and the resistance for crack propagation were quantitatively characterized by evaluation the load/load point displacement curves tested by three points bend experiment with single notch beam at 1300℃. The cracks length was determined by compliance calibration curves. It is shown by experimental results that the compliance of 3D-C/SiC composites changes with the cracks can be described by third order polynomial. The variation of crack advancing resistance with non-dimensional equivalent crack length presents a convex curve. The crack advancing resistance increases firstly and then decreases with the non-dimensional equivalent crack length, finally is in comparatively low level. The maximum values of crack advancing resistance are 269.73k J/m2 for nondimensional equivalent crack length of 0.318 and original notch length of 0.35mm,and 138.65k J/m2 for non-dimensional equivalent crack length of 0.381 and original notch length of 2.06mm, respectively.

  14. MBE growth of cubic AlN on 3C-SiC substrate

    Energy Technology Data Exchange (ETDEWEB)

    Schupp, Thorsten; Lischka, Klaus; As, Donat Josef [Department of Physics, University of Paderborn, Warburger Str. 100, 33095 Paderborn (Germany); Rossbach, Georg; Schley, Pascal; Goldhahn, Ruediger [Institut fuer Physik, Technische Universitaet Ilmenau, PF 100565, 98684 Ilmenau (Germany); Roeppischer, Marcus; Esser, Norbert; Cobet, Christoph [Department Berlin, ISAS - Institute for Analytical Sciences, Albert-Einstein-Str. 9, 12489 Berlin (Germany)

    2010-06-15

    We present our recent results on the growth of cubic AlN (001) layers by plasma assisted molecular beam epitaxy (PAMBE) using freestanding 3C-SiC (001) substrate. For high-quality c-AlN layers reflection high-electron energy diffraction (RHEED) patterns in all azimuths show RHEED patterns of the cubic lattice, hexagonal reflections are absent. High-resolution X-ray diffraction (HRXRD) measurements confirm the cubic structure of the c-AlN layers with a lattice parameter of 4.373A. Atomic force microscopy (AFM) scans show an atomically smooth surface with a roughness of 0.2 nm RMS. Ellipsometry studies yield the dielectric function (DF) of c-AlN from 1 to 10 eV. The direct gap is determined with 5.93 eV at room temperature, while the indirect one is below 5.3 eV (onset of adsorption). The high-energy part of the DF is dominated by two transitions at 7.20 and 7.95 eV attributed to critical points of the band structure. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  15. High-precision CTE measurement of hybrid C/SiC composite for cryogenic space telescopes

    CERN Document Server

    Enya, K; Imai, T; Tange, Y; Kaneda, H; Katayama, H; Kotani, M; Maruyama, K; Naitoh, M; Nakagawa, T; Onaka, T; Suganuma, M; Ozaki, T; Kume, M; Krodel, M R

    2011-01-01

    This paper presents highly precise measurements of thermal expansion of a "hybrid" carbon-fiber reinforced silicon carbide composite, HB-Cesic\\textregistered - a trademark of ECM, in the temperature region of \\sim310-10K. Whilst C/SiC composites have been considered to be promising for the mirrors and other structures of space-borne cryogenic telescopes, the anisotropic thermal expansion has been a potential disadvantage of this material. HB-Cesic\\textregistered is a newly developed composite using a mixture of different types of chopped, short carbon-fiber, in which one of the important aims of the development was to reduce the anisotropy. The measurements indicate that the anisotropy was much reduced down to 4% as a result of hybridization. The thermal expansion data obtained are presented as functions of temperature using eighth-order polynomials separately for the horizontal (XY-) and vertical (Z-) directions of the fabrication process. The average CTEs and their dispersion (1{\\sigma}) in the range 293-10...

  16. Understanding Light-Induced Degradation of c-Si Solar Cells: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Sopori, B.; Basnyat, P.; Devayajanam, S.; Shet, S.; Mehta, V.; Binns, J.; Appel, J.

    2012-06-01

    We discuss results of our investigations toward understanding bulk and surface components of light-induced degradation (LID) in low-Fe c-Si solar cells. The bulk effects, arising from boron-oxygen defects, are determined by comparing degradation of cell parameters and their thermal recovery, with that of the minority-carrier lifetime (964;) in sister wafers. We found that the recovery of 964; in wafers takes a much longer annealing time compared to that of the cell. We also show that cells having SiN:H coating experience a surface degradation (ascribed to surface recombination). The surface LID is seen as an increase in the q/2kT component of the dark saturation current (J02). The surface LID does not recover fully upon annealing and is attributed to degradation of the SiN:H-Si interface. This behavior is also exhibited by mc-Si cells that have very low oxygen content and do not show any bulk degradation.

  17. SiC/SiC Leading Edge Turbine Airfoil Tested Under Simulated Gas Turbine Conditions

    Science.gov (United States)

    Robinson, R. Craig; Hatton, Kenneth S.

    1999-01-01

    Silicon-based ceramics have been proposed as component materials for use in gas turbine engine hot-sections. A high pressure burner rig was used to expose both a baseline metal airfoil and ceramic matrix composite leading edge airfoil to typical gas turbine conditions to comparatively evaluate the material response at high temperatures. To eliminate many of the concerns related to an entirely ceramic, rotating airfoil, this study has focused on equipping a stationary metal airfoil with a ceramic leading edge insert to demonstrate the feasibility and benefits of such a configuration. Here, the idea was to allow the SiC/SiC composite to be integrated as the airfoil's leading edge, operating in a "free-floating" or unrestrained manner. and provide temperature relief to the metal blade underneath. The test included cycling the airfoils between simulated idle, lift, and cruise flight conditions. In addition, the airfoils were air-cooled, uniquely instrumented, and exposed to the same internal and external conditions, which included gas temperatures in excess of 1370 C (2500 F). Results show the leading edge insert remained structurally intact after 200 simulated flight cycles with only a slightly oxidized surface. The instrumentation clearly suggested a significant reduction (approximately 600 F) in internal metal temperatures as a result of the ceramic leading edge. The object of this testing was to validate the design and analysis done by Materials Research and Design of Rosemont, PA and to determine the feasibility of this design for the intended application.

  18. A Facile Method to Prepare Double-Layer Isoporous Hollow Fiber Membrane by In Situ Hydrogen Bond Formation in the Spinning Line.

    Science.gov (United States)

    Noor, Nazia; Koll, Joachim; Radjabian, Maryam; Abetz, Clarissa; Abetz, Volker

    2016-03-01

    A double-layer hollow fiber is fabricated where an isoporous surface of polystyrene-block-poly(4-vinylpyridine) is fixed on a support layer by co-extrusion. Due to the sulfonation of the support layer material, delamination of the two layers is suppressed without increasing the number of subsequent processing steps for isoporous composite membrane formation. Electron microscope-energy-dispersive X-ray spectroscopy images unveil the existence of a high sulfur concentration in the interfacial region by which in-process H-bond formation between the layers is evidenced. For the very first time, our study reports a facile method to fabricate a sturdy isoporous double-layer hollow fiber.

  19. Assessment of covalent bond formation between coupling agents and wood by FTIR spectroscopy and pull strength tests

    DEFF Research Database (Denmark)

    Rasmussen, Jonas Stensgaard; Barsberg, Søren Talbro; Venås, Thomas Mark;

    2014-01-01

    . This was seen as evidence for covalent bonds between lignin phenolics and the coupling agents. No spectral changes were observed when the coupling agents were mixed with the wood constituents cellulose and hemicellulose. For verification of the results, a modified EN 311 wet adhesion pull strength test...... was performed with softwood panels painted with a solvent-borne alkyd/acrylic coating. The results revealed an improved adhesion for all tested coupling agents compared to the untreated reference. The spectroscopic and pull test results underline that the presence of the lignin moiety in wood is of central...

  20. Testing of DLR C/C-SiC and C/C for HIFiRE 8 Scramjet Combustor

    Science.gov (United States)

    Glass, David E.; Capriotti, Diego P.; Reimer, Thomas; Kutemeyer, Marius; Smart, Michael K.

    2014-01-01

    Ceramic Matrix Composites (CMCs) have been proposed for use as lightweight hot structures in scramjet combustors. Previous studies have calculated significant weight savings by utilizing CMCs (active and passive) versus actively cooled metallic scramjet structures. Both a carbon/carbon (C/C) and a carbon/carbon-silicon carbide (C/C-SiC) material fabricated by DLR (Stuttgart, Germany) are being considered for use in a passively cooled combustor design for Hypersonic International Flight Research Experimentation (HIFiRE) 8, a joint Australia / Air Force Research Laboratory hypersonic flight program, expected to fly at Mach 7 for approximately 30 sec, at a dynamic pressure of 55 kilopascals. Flat panels of the DLR C/C and C/C-SiC materials were installed downstream of a hydrogen-fueled, dual-mode scramjet combustor and tested for several minutes at conditions simulating flight at Mach 5 and Mach 6. Gaseous hydrogen fuel was used to fuel the scramjet combustor. The test panels were instrumented with embedded Type K and Type S thermocouples. Zirconia felt insulation was used during some of the tests to reduce heat loss from the back surface and thus increase the heated surface temperature of the C/C-SiC panel approximately 177 C (350 F). The final C/C-SiC panel was tested for three cycles totaling over 135 sec at Mach 6 enthalpy. Slightly more erosion was observed on the C/C panel than the C/C-SiC panels, but both material systems demonstrated acceptable recession performance for the HIFiRE 8 flight.

  1. Compressive Strength of 2D-C/SiC Composite at High Temperature in Air%2D-C/SiC复合材料在空气中的高温压缩强度研究

    Institute of Scientific and Technical Information of China (English)

    牛学宝; 张程煜; 乔生儒; 韩栋; 李玫

    2011-01-01

    研究了二维碳纤维增强碳化硅基复合材料(2 D-C/SiC)在空气介质中的高温压缩强度.材料采用1K T300碳纤维平纹布经叠层和缝合制成预制体为增强体,经等温化学气相浸渗制备而成.试样表面用化学气相沉积工艺沉积SiC涂层.测试方向为垂直于炭布叠层方向,测试温度为室温,700℃,1100℃和1300℃.使用扫描电子显微镜观察了材料的断口.结果表明:室温~700℃,2D-C/SiC的压缩强度随温度升高逐渐增大,温度高于700℃后,材料的压缩强度缓慢降低.导致2D-C/SiC的压缩强度随温度变化的主要原因为纤维和基体热膨胀系数不同引起的残余应力随温度升高逐渐变小和高温下材料的氧化损伤.%The compressive strength of a two dimensional carbon fiber reinforced silicon carbide composite (2D-C/SiC) at elevated temperature in air was studied. The plain weaved carbon cloth was applied as reinforcement, made of stacked and seamed 1K T300 carbon fiber cloth. The 2D-C/SiC was prepared by isothermal chemical vapor infiltration. The specimens were coated with SiC by chemical vapor deposition. The tests were conducted at room temperature, 700°C , 1100°C and 1300°C respectively, and the loading direction was perpendicular to 2D-C/SiC plane. The fractured surface of the specimens was observed by a scanning electron microscope. The results show that the compressive strength increases gradually with increasing the temperature from room temperature to 700°C , while it decreases gradually when the temperature was above 700°C. The residual stress caused by the mismatch between the thermal expansion coefficients of the fiber and matrix, and the oxidation products play important roles in determining the compressive strength.

  2. Effect of intrachain hydrogen bond on the formation of L amino acids along α helix of peptide

    Institute of Scientific and Technical Information of China (English)

    梅镇岳

    1995-01-01

    The model of right-handed α helix of peptide,in which the intrachain hydrogen bonds be-tween amino acid residues are in the direction of the axis of the helix,is used to compute the energy differ-ences between D-and L-form residues.The dominant intramolecular interactions involved are the Coulombinteraction for the residues with charged and polarized R group and van der Waals interaction for thehydrophobic residues respectively.The results obtained show that the energy states of L-forms are lower thanthose of the corresponding D-forms.Therefore,L-form states are more stable.The racemization of the aminoacid after the residue has been dislocated from the peptide chain is interpreted as the consequence of the pari-ty conservation of the electromagnetic interaction.

  3. Dielectric passivation schemes for high efficiency n-type c-si solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Saynova, D.S.; Romijn, I.G.; Cesar, I.; Lamers, M.W.P.E.; Gutjahr, A. [ECN Solar Energy, P.O. Box 1, NL-1755 ZG Petten (Netherlands); Dingemans, G. [ASM, Kapeldreef 75, B-3001 Leuven (Belgium); Knoops, H.C.M.; Van de Loo, B.W.H.; Kessels, W.M.M. [Eindhoven University of Technology, Department of Appl. Physics, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Siarheyeva, O.; Granneman, E. [Levitech BV, Versterkerstraat 10, 1322AP Almere (Netherlands); Venema, P.R.; Vlooswijk, A.H.G. [Tempress Systems BV, Radeweg 31, 8171 Vaassen (Netherlands); Gautero, L.; Borsa, D.M.

    2013-10-15

    We investigate the impact of different dielectric layers and stacks on the passivation properties of boron doped p{sup ++}-emitters and phosphorous doped n{sup +}-BSFs which are relevant for competitive n-type cell conversion efficiencies. The applied passivation schemes are associated with specific properties at c-Si/dielectric interface and functional mechanisms. In this way we aim to gain a deeper understanding of the passivation mechanism of the differently doped fields within the n-type cells and identify options to further improve the efficiency. The deposition technologies in our study comprise industrial PECVD systems and/or ALD both in industrial and lab scale configurations. In case of p{sup ++}-emitters the best results were achieved by combining field effect and chemical passivation using stacks of low temperature wet chemical oxide and thin ALD-AlOx capped with PECVD-SiNx. The corresponding Implied Voc values were of about (673{+-}2) mV and J{sub 0} of (68{+-}2) fA/cm{sup 2}. For the n{sup +}-BSF passivation the passivation scheme based on SiOx with or without additional AlOx film deposited by a lab scale temporal ALD processes and capped with PECVD-SiNx layer yielded a comparable Implied Voc of (673{+-}2) mV, but then corresponding to J{sub 0} value of (80{+-}15) fA/cm{sup 2}. This passivation scheme is mainly based on the chemical passivation and was also suitable for p{sup ++} surface. This means that we have demonstrated that for n-Pasha cells both the emitter and BSF can be passivated with the same type of passivation that should lead to > 20% cell efficiency. This offers the possibility for transfer this passivation scheme to advanced cell architectures, such as IBC.

  4. Intelligent MONitoring System for antiviral pharmacotherapy in patients with chronic hepatitis C (SiMON-VC

    Directory of Open Access Journals (Sweden)

    Luis Margusino-Framiñán

    2017-01-01

    Full Text Available Two out of six strategic axes of pharmaceutical care in our hospital are quality and safety of care, and the incorporation of information technologies. Based on this, an information system was developed in the outpatient setting for pharmaceutical care of patients with chronic hepatitis C, SiMON-VC, which would improve the quality and safety of their pharmacotherapy. The objective of this paper is to describe requirements, structure and features of Si- MON-VC. Requirements demanded were that the information system would enter automatically all critical data from electronic clinical records at each of the visits to the Outpatient Pharmacy Unit, allowing the generation of events and alerts, documenting the pharmaceutical care provided, and allowing the use of data for research purposes. In order to meet these requirements, 5 sections were structured for each patient in SiMON-VC: Main Record, Events, Notes, Monitoring Graphs and Tables, and Follow-up. Each section presents a number of tabs with those coded data needed to monitor patients in the outpatient unit. The system automatically generates alerts for assisted prescription validation, efficacy and safety of using antivirals for the treatment of this disease. It features a completely versatile Indicator Control Panel, where temporary monitoring standards and alerts can be set. It allows the generation of reports, and their export to the electronic clinical record. It also allows data to be exported to the usual operating systems, through Big Data and Business Intelligence. Summing up, we can state that SiMON-VC improves the quality of pharmaceutical care provided in the outpatient pharmacy unit to patients with chronic hepatitis C, increasing the safety of antiviral therapy.

  5. Electroluminescence of a-Si/c-Si heterojunction solar cells after high energy irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Ferrara, Manuela

    2009-11-24

    The crystalline silicon as absorber material will certainly continue to dominate the market for space applications of solar cells. In the contribution under consideration the applicability of a-Si:H/c-Si heterojunction solar cells in space has been tested by the investigation of the cell modification by high energy protons and comparing the results to the degradation of homojunction crystalline silicon reference cells. The investigated solar cells have been irradiated with protons of different energies and doses. For all investigated solar cells the maximum damage happens for an energy of about 1.7 MeV and is mainly due to the decrease of the effective minority carrier diffusion length in the crystalline silicon absorber. Simulations carried out by AFORS-HET, a heterojunction simulation program, also confirmed this result. The main degradation mechanism for all types of devices is the monotonically decreasing charge carrier diffusion length in the p-type monocrystalline silicon absorber layer. For the heterojunction solar cell an enhancement of the photocurrent in the blue wavelength region has been observed but only in the case of heterojunction solar cell with intrinsic a-Si:H buffer layer. Additionally to the traditional characterization techniques the electroluminescence technique used for monitoring the modifications of the heteroluminescence technique used for monitoring the modifications of the heterointerface between amorphous silicon and crystalline silicon in solar cells after proton irradiation. A direct relation between minority carrier diffusion length and electroluminescence quantum efficiency has been observed but also details of the interface modification could be monitored by this technique.

  6. C-SiC陶瓷基复合材料磨削参数优化研究%Research of Grinding Parameters about C-SiC Ceramic Matrix Composite

    Institute of Scientific and Technical Information of China (English)

    池宪; 吴凡; 锁小红

    2012-01-01

    Based on the orthogonal grinding tests of C-SiC ceramic matrix composite, the effects of grinding parameters on inner-cone surface roughness is analyzed. The improvement principle of grinding parameters is proposed, the optimized grinding parameters are obtained. The results show that the quality of the ceramic inner-cone surface is advanced.%通过C-SiC陶瓷基复合材料的正交磨削试验进行磨削参数优化研究,探讨磨削参数对内锥体表面粗糙度的影响规律,提出了磨削参数的优化原则,获得了优化的磨削参数,提高了陶瓷基复合材料内锥体精密磨削的表面加工质量.

  7. Preparation and Properties of ZrC-SiC Multi-phase Ceramic Precursors%ZrC-SiC复相陶瓷先驱体的制备与性能

    Institute of Scientific and Technical Information of China (English)

    黄传进; 王明存; 韩伟健; 邱文丰; 赵彤

    2015-01-01

    以聚锆氧烷(PNZ)为锆源树脂、炔基聚硅烷(PEPSI)为硅源树脂、双酚A型苯并噁嗪(BOZ)为碳源树脂,制备一种低成本高效率ZrC-SiC复相陶瓷先驱体.ZrC-SiC复相陶瓷先驱体适合陶瓷基复合材料的循环浸渍-裂解工艺,通过炔基的催化聚合、苯并噁嗪的开环聚合和锆氧烷与酚羟基、硅氢键的缩合聚合,在200~350℃热固化.N2气氛,优化配方中PNZ、PEPSI、BOZ的质量比为1.00∶0.30∶0.30).在1 000、1 200、1 400和1 600℃高温裂解陶瓷的产率分别为64%、62%、62%和37%.通过1 600℃碳热还原反应,得到高度结晶和分布均匀的ZrC-SiC复相陶瓷.ZrC-SiC先驱体是理想的低成本超高温陶瓷基体树脂.

  8. Peptide bond formation through gas-phase reactions in the interstellar medium: formamide and acetamide as prototypes

    Energy Technology Data Exchange (ETDEWEB)

    Redondo, Pilar; Barrientos, Carmen; Largo, Antonio, E-mail: predondo@qf.uva.es [Computational Chemistry Group, Departamento de Química Física, Facultad de Ciencias, Universidad de Valladolid, E-47011 Valladolid (Spain)

    2014-09-20

    A theoretical study of the reactions of NH{sub 4}{sup +} with formaldehyde and CH{sub 5}{sup +} with formamide is carried out. The viability of these gas-phase ion-molecule reactions as possible sources of formamide and acetamide under the conditions of interstellar medium is evaluated. We report a theoretical estimation of the reaction enthalpies and an analysis of their potential energy surfaces. Formation of protonated formamide from the reaction between ammonium cation and formaldehyde is an exothermic process, but all the channels located on the potential energy surface leading to this product present net activation energies. For the reaction between methanium and formamide, different products are possible from a thermodynamic point of view. An analysis of its potential energy surface showed that formation of protonated acetamide and amino acetaldehyde takes place through barrier-free paths. Therefore, this reaction could be a feasible source of acetamide and amino acetaldehyde in space.

  9. How covalent heme to protein bonds influence the formation and reactivity of redox intermediates of a bacterial peroxidase.

    Science.gov (United States)

    Auer, Markus; Nicolussi, Andrea; Schütz, Georg; Furtmüller, Paul G; Obinger, Christian

    2014-11-07

    The most striking feature of mammalian peroxidases, including myeloperoxidase and lactoperoxidase (LPO) is the existence of covalent bonds between the prosthetic group and the protein, which has a strong impact on their (electronic) structure and biophysical and chemical properties. Recently, a novel bacterial heme peroxidase with high structural and functional similarities to LPO was described. Being released from Escherichia coli, it contains mainly heme b, which can be autocatalytically modified and covalently bound to the protein by incubation with hydrogen peroxide. In the present study, we investigated the reactivity of these two forms in their ferric, compound I and compound II state in a multi-mixing stopped-flow study. Upon heme modification, the reactions between the ferric proteins with cyanide or H2O2 were accelerated. Moreover, apparent bimolecular rate constants of the reaction of compound I with iodide, thiocyanate, bromide, and tyrosine increased significantly and became similar to LPO. Kinetic data are discussed and compared with known structure-function relationships of the mammalian peroxidases LPO and myeloperoxidase.

  10. In-line near infrared spectroscopy during freeze-drying as a tool to measure efficiency of hydrogen bond formation between protein and sugar, predictive of protein storage stability

    OpenAIRE

    Mensink, Maarten A.; Van Bockstal, Pieter-Jan; Pieters, S; De Meyer, Laurens; Frijlink, Henderik W.; van der Voort Maarschalk, Kees; Hinrichs, Wouter L.J.; De Beer, Thomas

    2015-01-01

    Sugars are often used as stabilizers of protein formulations during freeze-drying. However, not all sugars are equally suitable for this purpose. Using in-line near-infrared spectroscopy during freeze-drying, it is shown here that hydrogen bond formation during freeze-drying, under secondary drying conditions in particular, can be related to the preservation of the functionality and structure of proteins during storage. The disaccharide trehalose was best capable of forming hydrogen bonds wit...

  11. Oligomerization reactions of deoxyribonucleotides on montmorillonite clay - The effect of mononucleotide structure, phosphate activation and montmorillonite composition on phosphodiester bond formation

    Science.gov (United States)

    Ferris, James P.; KAMALUDDIN; Ertem, Gozen

    1990-01-01

    The 2(prime)-d-5(prime)-GMP and 2(prime)-d-5(prime)-AMP bind 2 times more strongly to montmorillonite 22A than do 2(prime)-d-5(prime)-CMP and 5(prime)-TMP. The dinucleotide d(pG)2 forms in 9.2 percent yield and the cyclic dinucleotide c(dpG)2 in 5.4 percent yield in the reaction of 2(prime)-d-5(prime)-GMP with EDAC in the presence of montmorillonite 22A. The yield of dimers which contain the phosphodiester bond decreases as the reaction medium is changed from 0.2 M NaCl to a mixture of 0.2 M NaCl and 0.075 M MgCl2. A low yield of d(pA)2 was observed in the condensation reaction of 5(prime)-ImdpA on montmorillonite 22A. The yield of d(pA)2 obtained when EDAC is used as the condensing agent increases with increasing iron content of the Na(+)-montmorillonite used as catalyst. Evidence is presented which shows that the acidity of the Na(+)-montmorillonite is a necessary but not sufficient factor for the montmorillonite catalysis of phosphodiester bond formation.

  12. Roles of Intramolecular and Intermolecular Hydrogen Bonding in a Three-Water-Assisted Mechanism of Succinimide Formation from Aspartic Acid Residues

    Directory of Open Access Journals (Sweden)

    Ohgi Takahashi

    2014-08-01

    Full Text Available Aspartic acid (Asp residues in peptides and proteins are prone to isomerization to the β-form and racemization via a five-membered succinimide intermediate. These nonenzymatic reactions have relevance to aging and age-related diseases. In this paper, we report a three water molecule-assisted, six-step mechanism for the formation of succinimide from Asp residues found by density functional theory calculations. The first two steps constitute a stepwise iminolization of the C-terminal amide group. This iminolization involves a quintuple proton transfer along intramolecular and intermolecular hydrogen bonds formed by the C-terminal amide group, the side-chain carboxyl group, and the three water molecules. After a conformational change (which breaks the intramolecular hydrogen bond involving the iminol nitrogen and a reorganization of water molecules, the iminol nitrogen nucleophilically attacks the carboxyl carbon of the Asp side chain to form a five-membered ring. This cyclization is accompanied by a triple proton transfer involving two water molecules, so that a gem-diol tetrahedral intermediate is formed. The last step is dehydration of the gem-diol group catalyzed by one water molecule, and this is the rate-determining step. The calculated overall activation barrier (26.7 kcal mol−1 agrees well with an experimental activation energy.

  13. Formation of intersubunit disulfide bonds and properties of the single histidine and cysteine residues in each subunit relative to the decameric structure of cyanase.

    Science.gov (United States)

    Anderson, P M; Korte, J J; Holcomb, T A; Cho, Y G; Son, C M; Sung, Y C

    1994-05-27

    Reaction of the single cysteine residue in each subunit of cyanase with certain SH reagents gives an active decameric derivative that dissociates reversibly to an inactive dimer derivative (Anderson, P. M., Johnson, W. V., Korte, J. J., Xiong, X., Sung, Y.-c., and Fuchs, J. A. (1988) J. Biol. Chem. 263, 5674-5680). Reaction of mixed disulfide dimer derivatives of cyanase with dithiothreitol at 0 degree C results in formation of a disulfide bond between the subunits in the dimer. The disulfide dimer was inactive and did not associate to a decamer; the intersubunit disulfide bond could not be formed when the dimers were associated as a decamer. The two SH groups apparently are in close proximity to each other in the dissociated dimer but not when the dimer is associated to a decamer. Substitution of glycine for the cysteine residue or of tyrosine, asparagine, glycine, valine, or leucine for the single histidine residue in each subunit gave mutant enzymes that were active. However, H113N, H113Y, and C83G were unstable at low temperature and/or ionic strength, dissociating reversibly to an inactive dimer. Efficient reassociation required the presence of bicarbonate or cyanate analog. The results are consistent with a proposed single site per subunit model explaining apparent half-site binding of substrates and the requirement of decameric structure for activity.

  14. Hydrogen Bonding-Mediated Microphase Separation during the Formation of Mesoporous Novolac-Type Phenolic Resin Templated by the Triblock Copolymer, PEO-b-PPO-b-PEO

    Directory of Open Access Journals (Sweden)

    Wei-Cheng Chu

    2013-11-01

    Full Text Available After blending the triblock copolymer, poly(ethylene oxide-b-propylene oxide-b-ethylene oxide (PEO-b-PPO-b-PEO with novolac-type phenolic resin, Fourier transform infrared spectroscopy revealed that the ether groups of the PEO block were stronger hydrogen bond acceptors for the OH groups of phenolic resin than were the ether groups of the PPO block. Thermal curing with hexamethylenetetramine as the curing agent resulted in the triblock copolymer being incorporated into the phenolic resin, forming a nanostructure through a mechanism involving reaction-induced microphase separation. Mild pyrolysis conditions led to the removal of the PEO-b-PPO-b-PEO triblock copolymer and formation of mesoporous phenolic resin. This approach provided a variety of composition-dependent nanostructures, including disordered wormlike, body-centered-cubic spherical and disorder micelles. The regular mesoporous novolac-type phenolic resin was formed only at a phenolic content of 40–60 wt %, the result of an intriguing balance of hydrogen bonding interactions among the phenolic resin and the PEO and PPO segments of the triblock copolymer.

  15. Densification, microstructure, and fracture behavior of TiC/Si3N4 composites by spark plasma sintering

    Institute of Scientific and Technical Information of China (English)

    BAI Ling; GE Changchun; SHEN Weiping; MAO Xiaodong; ZHANG Ke

    2008-01-01

    TiC/Si3N4 composites were prepared using the β-Si3N4 powder synthesized by self-propagating high-temperature synthesis (SHS) and 35 wt.% TiC by spark plasma sintering. Y2O3 and A12O3 were added as sintering additives. The almost full sintered density and the highest fracture toughness (8.48 MPa·m1/2) values of Si3N4-based ceramics could be achieved at 1550℃. No interfacial interactions were noticeable between TiC and Si3N4. The toughening mechanisms in TiC/Si3N4 composites were attributed to crack deflection, microcrack toughening, and crack impedance by the periodic compressive stress in the Si3N4 matrix. However, increasing microcracks easily led to excessive connection of microcracks, which would not be beneficial to the strength.

  16. Single- and Multilayered Inter-phases in SiC/SiC Composites Exposed to Severe Environmental Conditions: An Overview

    Energy Technology Data Exchange (ETDEWEB)

    Naslain, R.R.; Pailler, R.J.F.; Lamon, J.L. [Univ Bordeaux, LCTS, F-33600 Pessac (France)

    2010-07-01

    Pyrocarbon (PyC), the common interphase for SiC/SiC, is not stable under severe environmental conditions. It could be replaced by boron nitride more resistant to oxidation but poorly compatible with nuclear applications. Other materials, such as ternary carbides seem promising but their use in SiC/SiC has not been demonstrated. The most efficient way to improve the behavior of PyC interphase in severe environments is to replace part of PyC by a material displaying a better compatibility, such as SiC itself. Issues related to the design and behavior of layered inter-phases are reviewed with a view to demonstrate their interest in high-temperature nuclear reactors. (authors)

  17. Monotonic tensile behavior analysis of three-dimensional needle-punched woven C/SiC composites by acoustic emission

    Institute of Scientific and Technical Information of China (English)

    Peng Fang; Laifei Cheng; Litong Zhang; Jingjiang Nie

    2008-01-01

    High toughness and reliable three-dimensional needled C/SiC composites were fabricated by chemical vapor infiltration (CVI). An approach to analyze the tensile behaviors at room temperature and the damage accumulation of the composites by means of acoustic emission was researched. Also the fracture morphology was examined by S-4700 SEM after tensile tests to prove the damage mechanism. The results indicate that the cumulative energy of acoustic emission (AE) signals can be used to monitor and evaluate the damage evolution in ceramic-matrix composites. The initiation of room-temperature tensile damage in C/SiC composites occurred with the growth of micro-cracks in the matrix at the stress level about 40% of the ultimate fracture stress. The level 70% of the fracture stress could be defined as the critical damage strength.

  18. Apparent activation energy of subcritical crack growth of SiC/SiC composites at elevated temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Chou, Y.S.; Stackpoole, M.M.; Bordia, R. [Univ. of Washington, Seattle, WA (United States)] [and others

    1995-04-01

    The purpose of this study is to investigate the environmental effect of oxygen-containing gases on the subcritical crack growth of continuous fiber (Nicalon {open_quotes}SiC{close_quotes}) reinforced ceramic matrix (SiC) composites at elevated temperatures. This is a continuing project and the primary goal for this time period is to obtain an apparent activation energy for SiC/SiC materials with two different interfaces: carbon and boron nitride coatings. In the past six months, the authors have conducted studies of subcritical crack growth on SiC/SiC composite materials in a corrosive (O{sub 2}) as well as an inert (Ar) atmosphere for temperatures ranging from 800 to 1100{degree}C.

  19. Optical properties of hybrid T3Pyr/SiO2/3C-SiC nanowires.

    Science.gov (United States)

    Fabbri, Filippo; Rossi, Francesca; Melucci, Manuela; Manet, Ilse; Attolini, Giovanni; Favaretto, Laura; Zambianchi, Massimo; Salviati, Giancarlo

    2012-12-17

    A new class of nanostructured hybrid materials is developed by direct grafting of a model thiophene-based organic dye on the surface of 3C-SiC/SiO2 core/shell nanowires. TEM-EDX analysis reveals that the carbon distribution is more spread than it would be, considering only the SiC core size, suggesting a main contribution from C of the oligothiophene framework. Further, the sulfur signal found along the treated wires is not detected in the as-grown samples. In addition, the fluorescent spectra are similar for the functionalized nanostructures and T3Pyr in solution, confirming homogeneous molecule grafting on the nanowire surface. Chemical and luminescence characterizations confirm a homogeneous functionalization of the nanowires. In particular, the fluorophore retains its optical properties after functionalization.

  20. Synthesis of Bioactive 2-(Arylaminothiazolo[5,4-f]-quinazolin-9-ones via the Hügershoff Reaction or Cu- Catalyzed Intramolecular C-S Bond Formation

    Directory of Open Access Journals (Sweden)

    Damien Hédou

    2016-06-01

    Full Text Available A library of thirty eight novel thiazolo[5,4-f]quinazolin-9(8H-one derivatives (series 8, 10, 14 and 17 was prepared via the Hügershoff reaction and a Cu catalyzed intramolecular C-S bond formation, helped by microwave-assisted technology when required. The efficient multistep synthesis of the key 6-amino-3-cyclopropylquinazolin-4(3H-one (3 has been reinvestigated and performed on a multigram scale from the starting 5-nitroanthranilic acid. The inhibitory potency of the final products was evaluated against five kinases involved in Alzheimer’s disease and showed that some molecules of the 17 series described in this paper are particularly promising for the development of novel multi-target inhibitors of kinases.

  1. PREDICTION OF ELASTIC PROPERTIES OF 2.5D SELF-HEALING C/SiC COMPOSITE%2.5维自愈合C/SiC复合材料弹性性能预测

    Institute of Scientific and Technical Information of China (English)

    梁仕飞; 矫桂琼

    2013-01-01

    The in-plane elastic properties of self-healing 2. 5D-C/SiC composite were obtained by experiment and then a model based on the micro-structure was built to predict the elastic properties of 2. 5D-C/SiC composite. The results showed that the prediction results were in good agreement with the experimental values. As the number of fibers in fiber bundles increases, the volume fraction of fiber and elastic modulus in warp direction increase, the in-plane shear modulus almost keeps constant, but the volume fraction of fiber in weft direction and the other modulus decrease. With the knit angle of warp increasing, the volume fraction of fiber and elastic modulus in warp direction decrease, the in-plane shear modulus almost keeps constant, but the volume fraction of fiber in weft direction and the other modulus increase. If the total volume fraction of silicon carbide and boron carbide keep constants, respectively, all the elastic properties decrease slightly with the ratio of boron carbide and silicon carbide increasing.%通过试验研究了2.5维自愈合C/SiC复合材料(2.5D-C/SiC)的面内弹性性能.基于复合材料的细观结构,建立了2.5D-C/SiC的弹性模量预测模型.预测结果与试验值吻合较好,证明了模型及计算方法的正确性.研究发现,随着纤维束中纤维数的增大,经纱方向纤维的体积含量和拉压模量均增大,面内剪切模量几乎无变化,纬纱方向纤维的体积含量和其余模量均降低.随着经纱编织角度的增加,经纱方向纤维的体积含量和拉压模量均降低,面内剪切模量变化很小,纬纱方向纤维的体积含量和其余模量均增大.保持碳化硅与碳化硼体积分数的总和不变,随着碳化硼与碳化硅体积比的增加,弹性模量均逐渐降低,降低幅度很小.

  2. Efficient export of human growth hormone, interferon α2b and antibody fragments to the periplasm by the Escherichia coli Tat pathway in the absence of prior disulfide bond formation.

    Science.gov (United States)

    Alanen, Heli I; Walker, Kelly L; Lourdes Velez Suberbie, M; Matos, Cristina F R O; Bönisch, Sarah; Freedman, Robert B; Keshavarz-Moore, Eli; Ruddock, Lloyd W; Robinson, Colin

    2015-03-01

    Numerous therapeutic proteins are expressed in Escherichia coli and targeted to the periplasm in order to facilitate purification and enable disulfide bond formation. Export is normally achieved by the Sec pathway, which transports proteins through the plasma membrane in a reduced, unfolded state. The Tat pathway is a promising alternative means of export, because it preferentially exports correctly folded proteins; however, the reducing cytoplasm of standard strains has been predicted to preclude export by Tat of proteins that contain disulfide bonds in the native state because, in the reduced state, they are sensed as misfolded and rejected. Here, we have tested a series of disulfide-bond containing biopharmaceuticals for export by the Tat pathway in CyDisCo strains that do enable disulfide bond formation in the cytoplasm. We show that interferon α2b, human growth hormone (hGH) and two antibody fragments are exported with high efficiency; surprisingly, however, they are efficiently exported even in the absence of cytoplasmic disulfide formation. The exported proteins acquire disulfide bonds in the periplasm, indicating that the normal disulfide oxidation machinery is able to act on the proteins. Tat-dependent export of hGH proceeds even when the disulfide bonds are removed by substitution of the Cys residues involved, suggesting that these substrates adopt tertiary structures that are accepted as fully-folded by the Tat machinery.

  3. Mutational analysis of bacteriophage T4 RNA ligase 1. Different functional groups are required for the nucleotidyl transfer and phosphodiester bond formation steps of the ligation reaction.

    Science.gov (United States)

    Wang, Li Kai; Ho, C Kiong; Pei, Yi; Shuman, Stewart

    2003-08-08

    T4 RNA ligase 1 (Rnl1) exemplifies an ATP-dependent RNA ligase family that includes fungal tRNA ligase (Trl1) and a putative baculovirus RNA ligase. Rnl1 acts via a covalent enzyme-AMP intermediate generated by attack of Lys-99 N zeta on the alpha phosphorus of ATP. Mutation of Lys-99 abolishes ligase activity. Here we tested the effects of alanine mutations at 19 conserved positions in Rnl1 and thereby identified 9 new residues essential for ligase activity: Arg-54, Lys-75, Phe-77, Gly-102, Lys-119, Glu-227, Gly-228, Lys-240, and Lys-242. Seven of the essential residues are located within counterparts of conserved nucleotidyltransferase motifs I (99KEDG102), Ia (118SK119), IV (227EGYVA231), and V (238HFKIK242) that comprise the active sites of DNA ligases, RNA capping enzymes, and T4 RNA ligase 2. Three other essential residues, Arg-54, Lys-75 and Phe-77, are located upstream of the AMP attachment site within a conserved domain unique to the Rnl1-like ligase family. We infer a shared evolutionary history and active site architecture in Rnl1 (a tRNA repair enzyme) and Trl1 (a tRNA splicing enzyme). We determined structure-activity relationships via conservative substitutions and examined mutational effects on the isolated steps of Rnl1 adenylylation (step 1) and phosphodiester bond formation (step 3). Lys-75, Lys-240, and Lys-242 were found to be essential for step 1 and overall ligation of 5'-phosphorylated RNA but not for phosphodiester bond formation. These results suggest that the composition of the Rnl1 active site is different during steps 1 and 3. Mutations at Arg-54 and Lys-119 abolished the overall RNA ligation reaction without affecting steps 1 and 3. Arg-54 and Lys-119 are thereby implicated as specific catalysts of the RNA adenylation reaction (step 2) of the ligation pathway.

  4. Fabrication Technology and Characteristics of a Magnetic Sensitive Transistor with nc-Si:H/c-Si Heterojunction.

    Science.gov (United States)

    Zhao, Xiaofeng; Li, Baozeng; Wen, Dianzhong

    2017-01-22

    This paper presents a magnetically sensitive transistor using a nc-Si:H/c-Si heterojunction as an emitter junction. By adopting micro electro-mechanical systems (MEMS) technology and chemical vapor deposition (CVD) method, the nc-Si:H/c-Si heterojunction silicon magnetically sensitive transistor (HSMST) chips were designed and fabricated on a p-type orientation double-side polished silicon wafer with high resistivity. In addition, a collector load resistor ( R L ) was integrated on the chip, and the resistor converted the collector current ( I C ) to a collector output voltage ( V out ). When I B = 8.0 mA, V DD = 10.0 V, and R L = 4.1 kΩ, the magnetic sensitivity ( S V ) at room temperature and temperature coefficient ( α C ) of the collector current for HSMST were 181 mV/T and -0.11%/°C, respectively. The experimental results show that the magnetic sensitivity and temperature characteristics of the proposed transistor can be obviously improved by the use of a nc-Si:H/c-Si heterojunction as an emitter junction.

  5. Doped Polycrystalline 3C-SiC Films Deposited by LPCVD for Radio-Frequency MEMS Applications

    Institute of Scientific and Technical Information of China (English)

    ZHAO Yong-Mei; SUN Guo-Sheng; NING Jin; LIU Xing-Fang; ZHAO Wan-Shun; WANG Lei; LI Jin-Min

    2008-01-01

    Polycrystalline 3C-SiC films are deposited on SiO2 coated Si substrates by low pressure chemical vapour deposition (LPCVD) with C3H8 and SiH4 as precursors. Controlled nitrogen doping is performed by adding NH3 during SiC growth to obtain the low resistivity 3C-SiC films. X-ray diffraction (XRD) patterns indicate that the deposited films are highly textured (111) orientation. The surface morphology and roughness are determined by scanning electron microscopy (SEM) and atomic force microscopy (AFM). The surface features are spherulitic texture with average grain size of 100nm, and the rms roughness is 20nm (AFM 5 × 5μm images). Polycrysta/line 3C-SiC films with highly orientational texture and good surface morphology deposited on SiO2 coated Si substrates could be used to fabricate rf microelectromechanical systems (MEMS) devices such as SiC based filters.

  6. Perovskite/c-Si tandem solar cell with inverted nanopyramids: realizing high efficiency by controllable light trapping

    Science.gov (United States)

    Shi, Dai; Zeng, Yang; Shen, Wenzhong

    2015-11-01

    Perovskite/c-Si tandem solar cells (TSCs) have become a promising candidate in recent years for achieving efficiency over 30%. Although general analysis has shown very high upper limits for such TSCs, it remains largely unclear what specific optical structures could best approach these limits. Here we propose the combination of perovskite/c-Si tandem structure with inverted nanopyramid morphology as a practical way of achieving efficiency above 31% based on realistic solar cell parameters. By full-field simulation, we have shown that an ultra-low surface reflectance can be achieved by tuning the pyramid geometry within the range of experimental feasibility. More importantly, we have demonstrated that the index-guided modes can be excited within the top cell layer by introducing a TCO interlayer that prevents coupling of guided light energy into the bottom cell. This light trapping scheme has shown superior performance over the Bragg stack intermediate reflector utilized in previous micropyramid-based TSCs. Finally, by controlling the coupling between the top and bottom cell through the thickness of the interlayer, current generation within the tandem can be optimized for both two- and four-terminal configurations, yielding efficiencies of 31.9% and 32.0%, respectively. These results have provided useful guidelines for the fabrication of perovskite/c-Si TSCs.

  7. Piezoresistive effect in p-type 3C-SiC at high temperatures characterized using Joule heating.

    Science.gov (United States)

    Phan, Hoang-Phuong; Dinh, Toan; Kozeki, Takahiro; Qamar, Afzaal; Namazu, Takahiro; Dimitrijev, Sima; Nguyen, Nam-Trung; Dao, Dzung Viet

    2016-06-28

    Cubic silicon carbide is a promising material for Micro Electro Mechanical Systems (MEMS) applications in harsh environ-ments and bioapplications thanks to its large band gap, chemical inertness, excellent corrosion tolerance and capability of growth on a Si substrate. This paper reports the piezoresistive effect of p-type single crystalline 3C-SiC characterized at high temperatures, using an in situ measurement method. The experimental results show that the highly doped p-type 3C-SiC possesses a relatively stable gauge factor of approximately 25 to 28 at temperatures varying from 300 K to 573 K. The in situ method proposed in this study also demonstrated that, the combination of the piezoresistive and thermoresistive effects can increase the gauge factor of p-type 3C-SiC to approximately 20% at 573 K. The increase in gauge factor based on the combination of these phenomena could enhance the sensitivity of SiC based MEMS mechanical sensors.

  8. Piezoresistive effect in p-type 3C-SiC at high temperatures characterized using Joule heating

    Science.gov (United States)

    Phan, Hoang-Phuong; Dinh, Toan; Kozeki, Takahiro; Qamar, Afzaal; Namazu, Takahiro; Dimitrijev, Sima; Nguyen, Nam-Trung; Dao, Dzung Viet

    2016-06-01

    Cubic silicon carbide is a promising material for Micro Electro Mechanical Systems (MEMS) applications in harsh environ-ments and bioapplications thanks to its large band gap, chemical inertness, excellent corrosion tolerance and capability of growth on a Si substrate. This paper reports the piezoresistive effect of p-type single crystalline 3C-SiC characterized at high temperatures, using an in situ measurement method. The experimental results show that the highly doped p-type 3C-SiC possesses a relatively stable gauge factor of approximately 25 to 28 at temperatures varying from 300 K to 573 K. The in situ method proposed in this study also demonstrated that, the combination of the piezoresistive and thermoresistive effects can increase the gauge factor of p-type 3C-SiC to approximately 20% at 573 K. The increase in gauge factor based on the combination of these phenomena could enhance the sensitivity of SiC based MEMS mechanical sensors.

  9. Fracture property and quantitative strain evaluation of hetero-epitaxial single crystal 3C-SiC membrane

    Science.gov (United States)

    Anzalone, R.; D'Arrigo, G.; Camarda, M.; Piluso, N.; La Via, F.

    2014-03-01

    The following paper explores the development of a combined bulge test/micro-Raman analysis. This analysis, together with a refined load-deflection model (valid in both small and large deformation regimes, defined as the regimes in which the ratio between membrane deflection and width is smaller or larger than 1:10), allowed the determination of the elastic and optical properties of high quality single-crystal 3C-SiC squared membranes. Specifically we have evaluated the breaking strain of the membranes by measuring the breaking pressure for various membrane widths. The relation between the shift of the Raman Transverse Optical (TO) mode and the total residual strain (Δa/a) has been determined by measuring the TO shift for different membrane deflections. This relation, which allows determination of the residual strain by simply measuring the TO shift, was known only for thick samples (Olego et al) and high-oriented (100) thin films (Rohmfeld et al). Finally, we have calculated the TO stress-free value of high-quality thin single-crystal 3C-SiC/Si(100) films as 796.71 ± 0.04 cm-1.

  10. Multi-scale Model of Residual Strength of 2D Plain Weave C/SiC Composites in Oxidation Atmosphere

    Science.gov (United States)

    Chen, Xihui; Sun, Zhigang; Sun, Jianfen; Song, Yingdong

    2016-06-01

    Multi-scale models play an important role in capturing the nonlinear response of woven carbon fiber reinforced ceramic matrix composites. In plain weave carbon fiber/silicon carbon (C/SiC) composites, the carbon fibers and interphases will be oxidized at elevated temperature and the strength of the composite will be degraded when oxygen enters micro-cracks formed in the as-produced parts due to the mismatch in thermal properties between constituents. As a result of the oxidation on fiber surface, fiber shows a notch-like morphology. In this paper, the change rule of fiber notch depth is fitted by circular function. And a multi-scale model based upon the change rule of fiber notch depth is developed to simulate the residual strength and post-oxidation stress-strain curves of the composite. The multi-scale model is able to accurately predict the residual strength and post-oxidation stress-strain curves of the composite. Besides, the simulated residual strength and post-oxidation stress-strain curves of 2D plain weave C/SiC composites in oxidation atmosphere show good agreements with experimental results. Furthermore, the oxidation time and temperature of the composite are investigated to show their influences upon the residual strength and post-oxidation stress-strain curves of plain weave C/SiC composites.

  11. T300HoneySiC: a new near-zero CTE molded C/SiC material

    Science.gov (United States)

    Goodman, William A.; Ghasemi Nejhad, Mehrdad N.; Wright, Stan; Welson, Darren

    2015-09-01

    Using an Additive Manufacturing process, Trex Enterprises and teammates were successful in producing a 12-inch by 12-inch by 0.5-inch vented, lightweight, Honeycomb C/SiC ceramic matrix composite (CMC) panel which had a density relative to bulk silicon carbide of 11% (89% lightweighting). The so-called T300HoneySiC™ panel and facesheet stock material were fabricated into ASTM standard coupons and tested at Southern Research Institute to obtain basic materials properties data. The material properties data showed that we had made a near-zero coefficient of thermal expansion (CTE= -0.22 ppm/°C from -196°C to +24°C) CMC C/SiC material with good strength. This material will be ideal for space opto-mechanical structures and optical benches due to its near-zero CTE and light weight. The material is initially molded and then converted to a C/SiC ceramic matrix composite, thus the fabrication time can be less than 3 weeks from start to finish, resulting in low cost.

  12. Ti-Ni ohmic contacts on 3C-SiC doped by nitrogen or phosphorus implantation

    Energy Technology Data Exchange (ETDEWEB)

    Bazin, A.E., E-mail: anne-elisabeth.bazin@st.com [Universite Francois Rabelais, Tours, Laboratoire de Microelectronique de Puissance, 16 Rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); STMicroelectronics, 16 Rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); Michaud, J.F. [Universite Francois Rabelais, Tours, Laboratoire de Microelectronique de Puissance, 16 Rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); Autret-Lambert, C. [Universite Francois Rabelais, Tours, Laboratoire d' Electrodynamique des Materiaux Avances CNRS-CEA-UMR6157, Parc de Grandmont, 37200 Tours (France); Cayrel, F. [Universite Francois Rabelais, Tours, Laboratoire de Microelectronique de Puissance, 16 Rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); Chassagne, T. [NOVASiC, Savoie Technolac, Arche Bat 4, BP 267, 73375 Le Bourget du Lac Cedex (France); Portail, M. [Centre de Recherche sur l' Hetero-Epitaxie et ses Applications CNRS-UPR10, Rue Bernard Gregory, 06560 Valbonne (France); Zielinski, M. [NOVASiC, Savoie Technolac, Arche Bat 4, BP 267, 73375 Le Bourget du Lac Cedex (France); Collard, E. [STMicroelectronics, 16 Rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); Alquier, D. [Universite Francois Rabelais, Tours, Laboratoire de Microelectronique de Puissance, 16 Rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France)

    2010-07-25

    For electronic devices, good ohmic contacts are required. To achieve such contacts, the semiconductor layer has to be highly doped. The only method available to locally dope the SiC is to implant dopants in the epilayer through a mask. In this work, non-intentionally doped 3C-SiC epilayers were implanted using nitrogen or phosphorus at different energies and subsequently annealed at temperatures between 1150 deg. C and 1350 deg. C in order to form n{sup +} implanted layers. Different techniques such as Fourier Transformed InfraRed spectroscopy (FTIR), Secondary Ion Mass Spectroscopy (SIMS) and Transmission Electron Microscopy (TEM) were used to characterize implanted 3C-SiC epilayers subsequently to the different annealing steps. Then, Ti-Ni contacts were carried out and the specific contact resistance ({rho}{sub C}) was determined by using circular Transfer Length Method (c-TLM) patterns. {rho}{sub C} values were investigated as a function of implanted species and contact annealing conditions, and compared to those obtained for highly doped 3C-SiC epilayers. As expected, {rho}{sub C} value is highly sensitive to post-implantation annealing. This work demonstrates that low resistance values can be achieved using nitrogen or phosphorus implantation at room temperature hence enabling device processing.

  13. Perovskite/c-Si tandem solar cell with inverted nanopyramids: realizing high efficiency by controllable light trapping

    Science.gov (United States)

    Shi, Dai; Zeng, Yang; Shen, Wenzhong

    2015-01-01

    Perovskite/c-Si tandem solar cells (TSCs) have become a promising candidate in recent years for achieving efficiency over 30%. Although general analysis has shown very high upper limits for such TSCs, it remains largely unclear what specific optical structures could best approach these limits. Here we propose the combination of perovskite/c-Si tandem structure with inverted nanopyramid morphology as a practical way of achieving efficiency above 31% based on realistic solar cell parameters. By full-field simulation, we have shown that an ultra-low surface reflectance can be achieved by tuning the pyramid geometry within the range of experimental feasibility. More importantly, we have demonstrated that the index-guided modes can be excited within the top cell layer by introducing a TCO interlayer that prevents coupling of guided light energy into the bottom cell. This light trapping scheme has shown superior performance over the Bragg stack intermediate reflector utilized in previous micropyramid-based TSCs. Finally, by controlling the coupling between the top and bottom cell through the thickness of the interlayer, current generation within the tandem can be optimized for both two- and four-terminal configurations, yielding efficiencies of 31.9% and 32.0%, respectively. These results have provided useful guidelines for the fabrication of perovskite/c-Si TSCs. PMID:26566176

  14. Toward Design Principles for Diffusionless Transformations: The Frustrated Formation of Co–Co Bonds in a Low-Temperature Polymorph of GdCoSi 2

    Energy Technology Data Exchange (ETDEWEB)

    Vinokur, Anastasiya I.; Fredrickson, Daniel C.

    2016-06-20

    Diffusionless (or displacive) phase transitions allow inorganic materials to show exquisite responsiveness to external stimuli, as is illustrated vividly by the superelasticity, shape memory, and magnetocaloric effects exhibited by martensitic materials. In this Article, we present a new diffusionless transition in the compound GdCoSi2, whose origin in frustrated bonding points toward generalizable design principles for these transformations. We first describe the synthesis of GdCoSi2 and the determination of its structure using single crystal X-ray diffraction. While previous studies based on powder X-ray diffraction assigned this compound to the simple CeNi1–xSi2 structure type (space group Cmcm), our structure solution reveals a superstructure variant (space group Pbcm) in which the Co sublattice is distorted to create zigzag chains of Co atoms. DFT-calibrated Hückel calculations, coupled with a reversed approximation Molecular Orbital (raMO) analysis, trace this superstructure to the use of Co–Co isolobal bonds to complete filled 18 electron configurations on the Co atoms, in accordance with the 18–n rule. The formation of these Co–Co bonds is partially impeded, however, by a small degree of electron transfer from Si-based electronic states to those with Co–Co σ* character. The incomplete success of Co–Co bond creation suggests that these interactions are relatively weak, opening the possibility of them being overcome by thermal energy at elevated temperatures. In fact, high-temperature powder and single crystal X-ray diffraction data, as well as differential scanning calorimetry, indicate that a reversible Pbcm to Cmcm transition occurs at about 380 K. This transition is diffusionless, and the available data point toward it being first-order. We expect that similar cases of frustrated interactions could be staged in other rare earth–transition metal–main group phases, providing a potentially rich

  15. Synthesis of the proteinase inhibitor LEKTI domain 6 by the fragment condensation method and regioselective disulfide bond formation.

    Science.gov (United States)

    Vasileiou, Zoe; Barlos, Kostas K; Gatos, Dimitrios; Adermann, Knut; Deraison, Celine; Barlos, Kleomenis

    2010-01-01

    Proteinase inhibitors are of high pharmaceutical interest and are drug candidates for a variety of indications. Specific kallikrein inhibitors are important for their antitumor activity and their potential application to the treatment of skin diseases. In this study we describe the synthesis of domain 6 of the kallikrein inhibitor Lympho-Epithilial Kazal-Type Inhibitor (LEKTI) by the fragment condensation method and site-directed cystine bridge formation. To obtain the linear LEKTI precursor, the condensation was best performed in solution, coupling the protected fragment 1-22 to 23-68. This method yielded LEKTI domain 6 of high purity and equipotent to the recombinantly produced peptide.

  16. Influence of helium atoms on the shear behavior of the fiber/matrix interphase of SiC/SiC composite

    Science.gov (United States)

    Jin, Enze; Du, Shiyu; Li, Mian; Liu, Chen; He, Shihong; He, Jian; He, Heming

    2016-10-01

    Silicon carbide has many attractive properties and the SiC/SiC composite has been considered as a promising candidate for nuclear structural materials. Up to now, a computational investigation on the properties of SiC/SiC composite varying in the presence of nuclear fission products is still missing. In this work, the influence of He atoms on the shear behavior of the SiC/SiC interphase is investigated via Molecular Dynamics simulation following our recent paper. Calculations are carried out on three dimensional models of graphite-like PyC/SiC interphase and amorphous PyC/SiC interphase with He atoms in different regions (the SiC region, the interface region and the PyC region). In the graphite-like PyC/SiC interphase, He atoms in the SiC region have little influence on the shear strength of the material, while both the shear strength and friction strength may be enhanced when they are in the PyC region. Low concentration of He atoms in the interface region of the graphite-like PyC/SiC interphase increases the shear strength, while there is a reduction of shear strength when the He concentration is high due to the switch of sliding plane. In the amorphous PyC/SiC interphase, He atoms can cause the reduction of the shear strength regardless of the regions that He atoms are located. The presence of He atoms may significantly alter the structure of SiC/SiC in the interface region. The influence of He atoms in the interface region is the most significant, leading to evident shear strength reduction of the amorphous PyC/SiC interphase with increasing He concentration. The behaviors of the interphases at different temperatures are studied as well. The dependence of the shear strengths of the two types of interphases on temperatures is studied as well. For the graphite-like PyC/SiC interphase, it is found strongly related to the regions He atoms are located. Combining these results with our previous study on pure SiC/SiC system, we expect this work may provide new insight

  17. Hydrogen bond and halogen bond inside the carbon nanotube

    Science.gov (United States)

    Wang, Weizhou; Wang, Donglai; Zhang, Yu; Ji, Baoming; Tian, Anmin

    2011-02-01

    The hydrogen bond and halogen bond inside the open-ended single-walled carbon nanotubes have been investigated theoretically employing the newly developed density functional M06 with the suitable basis set and the natural bond orbital analysis. Comparing with the hydrogen or halogen bond in the gas phase, we find that the strength of the hydrogen or halogen bond inside the carbon nanotube will become weaker if there is a larger intramolecular electron-density transfer from the electron-rich region of the hydrogen or halogen atom donor to the antibonding orbital of the X-H or X-Hal bond involved in the formation of the hydrogen or halogen bond and will become stronger if there is a larger intermolecular electron-density transfer from the electron-rich region of the hydrogen or halogen atom acceptor to the antibonding orbital of the X-H or X-Hal bond. According to the analysis of the molecular electrostatic potential of the carbon nanotube, the driving force for the electron-density transfer is found to be the negative electric field formed in the carbon nanotube inner phase. Our results also show that the X-H bond involved in the formation of the hydrogen bond and the X-Hal bond involved in the formation of the halogen bond are all elongated when encapsulating the hydrogen bond and halogen bond within the carbon nanotube, so the carbon nanotube confinement may change the blue-shifting hydrogen bond and the blue-shifting halogen bond into the red-shifting hydrogen bond and the red-shifting halogen bond. The possibility to replace the all electron nanotube-confined calculation by the simple polarizable continuum model is also evaluated.

  18. Structural and electrical characterizations of n-type implanted layers and ohmic contacts on 3C-SiC

    Energy Technology Data Exchange (ETDEWEB)

    Song, X., E-mail: xi.song@st.com [Universite Francois Rabelais, Tours, LMP, 16, rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); STMicroelectronics, 16, rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); Biscarrat, J. [Universite Francois Rabelais, Tours, LMP, 16, rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); STMicroelectronics, 16, rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); Michaud, J.-F.; Cayrel, F. [Universite Francois Rabelais, Tours, LMP, 16, rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); Zielinski, M.; Chassagne, T. [NOVASiC, Savoie Technolac, Arche bat 4, BP 267, 73375 Le Bourget du Lac Cedex (France); Portail, M. [Centre de Recherche sur l' Hetero-Epitaxie et ses Applications CNRS, rue Bernard Gregory, 06560 Valbonne (France); Collard, E. [STMicroelectronics, 16, rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); Alquier, D. [Universite Francois Rabelais, Tours, LMP, 16, rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France)

    2011-09-15

    Highlights: {yields} N, P and N and P co-implantation in 3C-SiC. {yields} Closed to 100% of activation for N implanted/annealed sample at 1400 {sup o}C. {yields} Low surface roughness (<5 nm) after annealing by using carbon protective layer. {yields} Ultra-low SCR (2.6 x 10{sup -6} {Omega} cm{sup 2}) with Ti/Ni contact on N implanted/annealed sample. - Abstract: In this work, non-intentionally doped cubic silicon carbide (3C-SiC) epilayers grown on (1 0 0) silicon substrates were implanted using nitrogen (N), phosphorus (P) implantations or their co-implantation (N and P). After annealing from 1150 to 1400 {sup o}C, Secondary Ion Mass Spectroscopy (SIMS), Atomic Force Microscopy (AFM), Fourier Transformed InfraRed spectroscopy (FTIR), Scanning Spreading Resistance Microscopy (SSRM) and Scanning Transmission Electron Microscopy (STEM) analysis were performed. Specific contact resistances ({rho}{sub c}) of Ti/Ni ohmic contacts were determined using Circular Transfer Length Method (c-TLM) patterns. Our work shows that co-implantation, experimentally investigated for the first time in 3C-SiC, is not beneficial for the doping efficiency. According to the silicon substrate, the post-implantation annealing is limited to 1400 {sup o}C. Consecutively to this limit, the total recovering of the lattice does not seem to be possible, whatever are the implanted species. Moreover, as the crystal damages increase when increasing the atomic mass of the implanted species, a comparative study using SSRM measurements proved that, for the same post-implantation annealing treatment, the resistivity of implanted layers depend on the doping species. As a consequence, the lowest {rho}{sub c} value (2.8 x 10{sup -6} {Omega} cm{sup 2}) has been obtained (using Ti/Ni 25/100 nm pattern) for a 1400 {sup o}C-30 min annealing consecutively to the nitrogen implantation. This value is among the best values obtained on implanted 3C-SiC layers in the literature. Furthermore, for this annealing

  19. The Window Layer of μc-si(p)/c-si(n)/μc-si(n+) Heterojunction Solar Cell in Simulation and Optimization%微晶硅/晶体硅/微晶硅异质结太阳能电池窗口层的模拟计算与优化

    Institute of Scientific and Technical Information of China (English)

    杨大洋; 刘淑平; 张棚; 彭艳艳; 李德利

    2014-01-01

    采用Afors-het太阳能电池异质结模拟软件,模拟了不同工作温度下,微晶硅窗口层对μc-si(p)/c-si(n)/μc-si(p+)异质结太阳能电池性能的影响,结果表明:随着微晶硅窗口层带隙的增加,转化效率先增加后下降、开路电压不断增加;掺杂浓度的增加,电池性能整体呈现先上升后小幅下降的趋势;厚度的增加,电池的性能整体上呈现下降的趋势.随着工作温度的增加,微晶硅窗口层对应的最佳厚度和掺杂浓度值都有明显的减小趋势;但其对应的最佳带隙有明显的增加的趋势.该实验结果为在不同温度下工作的电池提供了商业化生产的实验参数.

  20. Morphological effects of single-layer graphene oxide in the formation of covalently bonded polypyrrole composites using intermediate diisocyanate chemistry

    Science.gov (United States)

    Whitby, Raymond L. D.; Korobeinyk, Alina; Mikhalovsky, Sergey V.; Fukuda, Takahiro; Maekawa, Toru

    2011-10-01

    Single-layer graphene oxide (SLGO) possesses carboxylic and hydroxyl groups suitable for reactions with aliphatic or aromatic diisocyanate molecules. TEM analysis reveals that aliphatic diisocyanate molecules caused SLGO to scroll into star-like formations, whereas aromatic diisocyanate molecules retained SGLO in a flat-sheet morphology. TGA confirms the stabilisation of the formed urea and urethane groups on SLGO, but the onset of sheet pyrolysis occurs at a lower temperature due to isocyanate reactions with anhydride and epoxide groups embedded in the sheet. Pendant isocyanate groups act as bridging units to facilitate the attachment of pyrrole molecules, which are then used as anchor sites for the covalent polymerisation of pyrrole to polypyrrole (PPy). The use of FeCl3 as the polymerisation catalyst generated both covalent and free PPy, but also iron hydroxide nanoparticles were observed decorating the SLGO surface. When using ammonium persulfate as a catalyst and dodecylbenzenesulfonate as a dopant, free PPy could be removed under treatment with solvents to leave a purely covalent system. Discrete regions of SLGO were observed decorated with nanoparticles of PPy along the edge or across the surface of individual sheets. It was found that the flexibility of the SLGO sheet and the type of diisocyanate used directly affected the electrical resistance of the final composite.

  1. Si-B-C陶瓷涂敷2D C/SiC复合材料的抗氧化性能%Oxidation resistance of two dimensional C/SiC composite coated with Si-B-C ceramic

    Institute of Scientific and Technical Information of China (English)

    左新章; 张立同; 刘永胜; 成来飞; 龚慧灵

    2013-01-01

    Two dimensional C/SiC composite coated with Si-B-C ceramic was prepared via chemical vapor deposition (CVD).Properties and structure evolution and self-healing mechanisms of the C/SiC composite were studied after oxidation for 10 h during 700-1200 ℃.At the same time,the evolution of morphologies,composition and phase for Si-B-C ceramic were also investigated.The experimental results show that the oxidation of Si-B-C ceramic accelerates with the temperature increasing,however,the oxidation scale is shallow and no more than 7 μm.With the temperature increasing,viscosity of borosilicate glass oxidized from Si-B-C ceramic reduces but volatilization accelerates.When the temperature increases to 1200 ℃,SiO2 crystallizes from borosilicate glass.C/SiC composite coated with Si-B-C ceramic shows an excellent oxidation resistance.Mass loss increases with temperature increasing,which is only 0.47% after oxidation for 10 h at 1200 ℃.Furthermore,the strength retention ratio is 91.6% at 1000 ℃,higher than that at other temperatures.The main mechanisms for excellent oxidation resistance of C/SiC composite is that borosilicatc glass oxidized from Si-B-C ceramic can seal cracks in composite effectively.%利用化学气相沉积(CVD)法制备了Si-B-C陶瓷涂敷改性的2D C/SiC复合材料,研究了其在700~1200℃氧化10 h性能和结构的演变规律以及自愈合机制,同时获得了Si-B-C涂层在不同温度氧化后的形貌、组分和物相转变规律.结果表明:涂敷在复合材料表面的Si-B-C陶瓷随温度的升高氧化加快,但氧化程度较低,不深于7μm;随温度的升高,氧化形成的硅硼玻璃黏度降低,挥发增强;当温度达到1200℃时,硅硼玻璃析出SiO2晶体;Si-B-C陶瓷涂敷改性的C/SiC具有优良的抗氧化性能,随氧化温度的升高,复合材料失重率增加,但在1200℃氧化10h后失重率仅为0.47%;此外材料在1000℃氧化后的强度保持率最高,达到91.6%,Si-B-C陶瓷氧化形

  2. Interface formation of two- and three-dimensionally bonded materials in the case of GeTe-Sb2Te3 superlattices

    Science.gov (United States)

    Momand, Jamo; Wang, Ruining; Boschker, Jos E.; Verheijen, Marcel A.; Calarco, Raffaella; Kooi, Bart J.

    2015-11-01

    GeTe-Sb2Te3 superlattices are nanostructured phase-change materials which are under intense investigation for non-volatile memory applications. They show superior properties compared to their bulk counterparts and significant efforts exist to explain the atomistic nature of their functionality. The present work sheds new light on the interface formation between GeTe and Sb2Te3, contradicting previously proposed models in the literature. For this purpose [GeTe(1 nm)-Sb2Te3(3 nm)]15 superlattices were grown on passivated Si(111) at 230 °C using molecular beam epitaxy and they have been characterized particularly with cross-sectional HAADF scanning transmission electron microscopy. Contrary to the previously proposed models, it is found that the ground state of the film actually consists of van der Waals bonded layers (i.e. a van der Waals heterostructure) of Sb2Te3 and rhombohedral GeSbTe. Moreover, it is shown by annealing the film at 400 °C, which reconfigures the superlattice into bulk rhombohedral GeSbTe, that this van der Waals layer is thermodynamically favored. These results are explained in terms of the bonding dimensionality of GeTe and Sb2Te3 and the strong tendency of these materials to intermix. The findings debate the previously proposed switching mechanisms of superlattice phase-change materials and give new insights in their possible memory application.GeTe-Sb2Te3 superlattices are nanostructured phase-change materials which are under intense investigation for non-volatile memory applications. They show superior properties compared to their bulk counterparts and significant efforts exist to explain the atomistic nature of their functionality. The present work sheds new light on the interface formation between GeTe and Sb2Te3, contradicting previously proposed models in the literature. For this purpose [GeTe(1 nm)-Sb2Te3(3 nm)]15 superlattices were grown on passivated Si(111) at 230 °C using molecular beam epitaxy and they have been characterized

  3. Insight into the reaction mechanisms for oxidative addition of strong σ bonds to an Al(i) center.

    Science.gov (United States)

    Zhang, Xiangfei; Cao, Zexing

    2016-06-21

    The oxidation addition of a series of σ H-X bonds (X = H, B, C, Si, N, P, and O) to a single Al(i) supported by a (NacNac)(-) bidentate ligand ((NacNac)(-) = [ArNC(Me)CHC(Me)NAr](-) and Ar = 2,6-(i)Pr2C6H3) has been explored through extensive DFT calculations. The presented results show that activation and addition of these σ bonds follow various reaction mechanisms, in which hydride transfer, proton transfer, and Al-X bond coupling steps are involved. The predicted free energy barriers for these oxidative additions range from 8 to 32 kcal mol(-1), and all the reactions are remarkably favorable thermodynamically. However, sterically hindered ligands, for most reactants, make the formation of the initial reactant complex difficult and may reduce the efficiency of the reaction. Calculations reveal a strong dependence of the reaction mechanism and low-energy channel on the bonding features of X-H and the local structural environments.

  4. Hydrogen Implantation in Silicates: The role of solar wind in OH bond formation on the lunar surface

    Science.gov (United States)

    Schaible, Micah J; Baragiola, Raul

    2014-06-01

    Airless bodies in space such as the Moon, asteroids and interplanetary dust particles are subject to bombardment from energetic electrons and ions, ultraviolet photons, micrometeorites and cosmic rays. These bombarding particles modify optical, chemical and physical characteristics of the ices and minerals that make up these bodies in a process known as space weathering. In particular, solar wind protons implanted in silicate materials can participate in hydroxylation reactions with the oxygen to form OH. This mechanism has been suggested to explain a reported 3-14% absorption signal identified as OH on the surface of lunar soil grains and present in decreasing magnitude from polar to equatorial latitudes. With the goal of determining a precise OH formation rate due to H+ implantation in silicates, a series of experiments were carried out on terrestrial minerals as analogs to lunar and interstellar material.Experiments were carried out under UHV pressures (OH in thermally grown silicon oxide and San Carlos olivine, before and after irradiated with 1 - 5 keV H+ ions. The increase in Si-OH content due to irradiation was determined by subtracting the unirradiated spectra from the irradiated spectra. The implanted protons induced OH stretch absorptions in the mid-infrared peaked at 3673 cm-1 for SiO2 and 3570 cm-1 for olivine. The initial yield (OH formed per incident ion) was ~90% and the OH absorption band was found to saturate at implantation fluences of ~2x1017 H/cm2. Irradiation also modified the Si-O stretch band at ~1090 cm-1 (9.2 μm) causing an exponential decrease in the peak height with increasing fluence and the appearance of a silanol structure peaking at ~1030 cm-1. These measurements allow constraints to be placed on stellar wind contribution to observational and theoretical models of water on the lunar surface and on interstellar dust grains.

  5. Surface chemistry in the process of coating mesoporous SiO2 onto carbon nanotubes driven by the formation of Si-O-C bonds.

    Science.gov (United States)

    Paula, Amauri J; Stéfani, Diego; Souza Filho, Antonio G; Kim, Yoong Ahm; Endo, Morinobu; Alves, Oswaldo L

    2011-03-07

    The deposition of mesoporous silica (SiO(2)) on carbon nanotubes (CNTs) has opened up a wide range of assembling possibilities by exploiting the sidewall of CNTs and organosilane chemistry. The resulting systems may be suitable for applications in catalysis, energy conversion, environmental chemistry, and nanomedicine. However, to promote the condensation of silicon monomers on the nanotube without producing segregated particles, (OR)(4-x)SiO(x)(x-) units must undergo nucleophilic substitution by groups localized on the CNT sidewall during the transesterification reaction. In order to achieve this preferential attachment, we have deposited silica on oxidized carbon nanotubes (single-walled and multiwalled) in a sol-gel process that also involved the use of a soft template (cetyltrimethylammonium bromide, CTAB). In contrast to the simple approach normally used to describe the attachment of inorganic compounds on CNTs, SiO(2) nucleation on the tube is a result of nucleophilic attack mainly by hydroxyl radicals, localized in a very complex surface chemical environment, where various oxygenated groups are covalently bonded to the sidewall and carboxylated carbonaceous fragments (CCFs) are adsorbed on the tubes. Si-O-C covalent bond formation in the SiO(2)-CNT hybrids was observed even after removal of the CCFs with sodium hydroxide. By adding CTAB, and increasing the temperature, time, and initial amount of the catalyst (NH(4)OH) in the synthesis, the SiO(2) coating morphology could be changed from one of nanoparticles to mesoporous shells. Concomitantly, pore ordering was achieved by increasing the amount of CTAB. Furthermore, preferential attachment on the sidewall results mostly in CNTs with uncapped ends, having sites (carboxylic acids) that can be used for further localized reactions.

  6. Interlaminar Shear Strength of Z Direction Reinforced Plain-woven C/SiC Composite%Z向增强平纹编织C/SiC复合材料层间剪切强度

    Institute of Scientific and Technical Information of China (English)

    刘(韦华); 矫桂琼

    2009-01-01

    碳纤维平纹编织物和穿透厚度的碳纤维Z-pins制作的预成型体,通过化学气相渗透工艺制备了Z-pins增强平纹编织C/SiC复合材料.采用双缺口剪切压缩试验测定了Z-pins增强平纹编织C/SiC复合材料的层间剪切强度,通过断口的电镜照片分析了层间剪切的破坏机理.研究了Z-pins个数对层间剪切强度的影响.结果表明:与未增强陶瓷基复合材料相比较,当Z-pins个数达到一定数量时,Z-pins插入能够提高层间剪切强度,层问剪切强度随Z-pins个数的增多而增加.Z-pins插入改变了陶瓷基复合材料的层间破坏机理,使层间织物与基体的脱离变为Z-pins的剪切破坏和层间织物与基体脱离的双重破坏机制.%A preform consisting of plain-woven carbon fabric and Z-pins made of through-thickness carbon fiber bundles was prepared and then the Z-pin reinforced plain-woven C/SiC composite was fabricated by a chemical vapor infiltration. Double-notched shear compression tests and scanning electron microscopy were used on Z-pin reinforced plain-woven C/SiC ceramic matrix composite to measure interlaminar shear strength and to analyze fracture mechanism of the interlaminar shear, respectively. Effect of the number of Z-pins on interlaminar shear strength was studied. The results show that the insertion of Z-pins improves interlaminar shear strength when the number of Z-pins reached a certain quantity comparing with the ceramic matrix composites without Z-pins, and interlaminar shear strength increases as the number of Z-pins increases. Z-pins change the interlaminar fracture mechanism of the ceramic matrix composites into a double fracture mechanism of Z-pin shear fracture and debonding of fabric and matrix of interlaminar.

  7. Progress in the Formation of Carbon-Hetero Bond Based on 2(5H)-Furanones%基于2(5H)-呋喃酮的碳-杂成键反应研究进展

    Institute of Scientific and Technical Information of China (English)

    谭越河; 李建晓; 洪文坤; 汪朝阳

    2011-01-01

    2(5H)-呋喃酮结构单元广泛存在于天然产物中,同时许多2(5H)-呋喃酮类化合物也是重要的有机合成中间体.因此,基于常见2(5H)-呋喃酮(1)的有机合成研究近年来引起了人们的关注.根据在有机合成反应中成键方式的不同,综述了在2(5H)-呋喃酮(1)环上形成C-O,C-N,C-S,C-P,C-Se,C-Si等碳-杂键的反应研究进展.%Recently, the organic synthesis based on 2(5H)-furanones (1) has attracted much attention owing to the unique carbon skeleton of 2(5H)-furanone which is widely present in a variety of natural products and their utility as valuable synthetic intermediates.Classified as different bond kinds, the progress in the formation reactions of carbon-oxygen bond, carbon-nitrogen bond, carbon-sulfur bond, carbon-phosphorus bond, carbon-selenium bond and carbon-silicon bond on 2(5H)-furanone ring is reviewed.

  8. In-line near infrared spectroscopy during freeze-drying as a tool to measure efficiency of hydrogen bond formation between protein and sugar, predictive of protein storage stability.

    Science.gov (United States)

    Mensink, Maarten A; Van Bockstal, Pieter-Jan; Pieters, Sigrid; De Meyer, Laurens; Frijlink, Henderik W; van der Voort Maarschalk, Kees; Hinrichs, Wouter L J; De Beer, Thomas

    2015-12-30

    Sugars are often used as stabilizers of protein formulations during freeze-drying. However, not all sugars are equally suitable for this purpose. Using in-line near-infrared spectroscopy during freeze-drying, it is shown here that hydrogen bond formation during freeze-drying, under secondary drying conditions in particular, can be related to the preservation of the functionality and structure of proteins during storage. The disaccharide trehalose was best capable of forming hydrogen bonds with the model protein, lactate dehydrogenase, thereby stabilizing it, followed by the molecularly flexible oligosaccharide inulin 4kDa. The molecularly rigid oligo- and polysaccharides dextran 5kDa and 70kDa, respectively, formed the least amount of hydrogen bonds and provided least stabilization of the protein. It is concluded that smaller and molecularly more flexible sugars are less affected by steric hindrance, allowing them to form more hydrogen bonds with the protein, thereby stabilizing it better.

  9. Copper wire bonding

    CERN Document Server

    Chauhan, Preeti S; Zhong, ZhaoWei; Pecht, Michael G

    2014-01-01

    This critical volume provides an in-depth presentation of copper wire bonding technologies, processes and equipment, along with the economic benefits and risks.  Due to the increasing cost of materials used to make electronic components, the electronics industry has been rapidly moving from high cost gold to significantly lower cost copper as a wire bonding material.  However, copper wire bonding has several process and reliability concerns due to its material properties.  Copper Wire Bonding book lays out the challenges involved in replacing gold with copper as a wire bond material, and includes the bonding process changes—bond force, electric flame off, current and ultrasonic energy optimization, and bonding tools and equipment changes for first and second bond formation.  In addition, the bond–pad metallurgies and the use of bare and palladium-coated copper wires on aluminum are presented, and gold, nickel and palladium surface finishes are discussed.  The book also discusses best practices and re...

  10. In-line near infrared spectroscopy during freeze-drying as a tool to measure efficiency of hydrogen bond formation between protein and sugar, predictive of protein storage stability

    NARCIS (Netherlands)

    Mensink, Maarten A; Van Bockstal, Pieter-Jan; Pieters, Sigrid; De Meyer, Laurens; Frijlink, Henderik W; van der Voort Maarschalk, Kees; Hinrichs, Wouter L J; De Beer, Thomas

    2015-01-01

    Sugars are often used as stabilizers of protein formulations during freeze-drying. However, not all sugars are equally suitable for this purpose. Using in-line near-infrared spectroscopy during freeze-drying, it is shown here that hydrogen bond formation during freeze-drying, under secondary drying

  11. Identification of Second Shell Coordination in Transition Metal Species Using Theoretical XANES: Example of Ti-O-(C, Si, Ge) Complexes.

    Science.gov (United States)

    Spanjers, Charles S; Guillo, Pascal; Tilley, T Don; Janik, Michael J; Rioux, Robert M

    2017-01-12

    X-ray absorption near-edge structure (XANES) is a common technique for elucidating oxidation state and first shell coordination geometry in transition metal complexes, among many other materials. However, the structural information obtained from XANES is often limited to the first coordination sphere. In this study, we show how XANES can be used to differentiate between C, Si, and Ge in the second coordination shell of Ti-O-(C, Si, Ge) molecular complexes based on differences in their Ti K-edge XANES spectra. Experimental spectra were compared with theoretical spectra calculated using density functional theory structural optimization and ab initio XANES calculations. The unique features for second shell C, Si, and Ge present in the Ti K pre-edge XANES are attributed to the interaction between the Ti center and the O-X (X = C, Si, or Ge) antibonding orbitals.

  12. C/SiC复合材料推力室应用研究%Applied research of rocket engine thrusters made of ceramic matrix composite

    Institute of Scientific and Technical Information of China (English)

    刘志泉; 马武军

    2011-01-01

    C/SiC复合材料密度低、耐高温、抗氧化、抗烧蚀,并且具有非常好的高温力学性能,是制备高性能液体火箭发动机推力室的理想材料.本文从C/SiC复合材料燃烧室结构计算、无损探伤及C/SiC与金属连接等方面,论述了上海空间研究所在C/SiC复合材料应用于液体火箭发动机推力室方面的基础研究及应用进展.

  13. Simulation analysis of the effects of a back surface field on a p-a-Si:H/n-c-Si/n+-a-Si:H heterojunction solar cell

    Institute of Scientific and Technical Information of China (English)

    Hu Yuehui; Zhang Xiangwen; Qu Minghao; Wang Lifu; Zeng Tao; Xie Yaojiang

    2009-01-01

    In order to investigate the effects of a back surface field (BSF) on the performance of a p-doped amorphous silicon (p-a-Si:H)/n-doped crystalline silicon (n-c-Si) solar cell, a heterojunction solar cell with a p-a-Si:H/nc-Si/n+-a-Si:H structure was designed. An n+-a-Si:H film was deposited on the back of an n-c-Si wafer as the BSF.The photovoltaic performance of p-a-Si:H/n-c-Si/n+-a-Si:H solar cells were simulated. It was shown that the BSF of the p-a-Si:H/n-c-Si/n+-a-Si:H solar cells could effectively inhibit the decrease of the cell performance caused by interface states.

  14. Synthesis of β-SiC/SiO_2 core-shell nanowires with the assistance of cerium oxide

    Institute of Scientific and Technical Information of China (English)

    于伟鹏; 郑瑛; 杨娥; 邱健斌; 兰瑞芳

    2010-01-01

    The β-SiC/SiO2 core-shell nanowires with the "stem-and-node" structure were synthesized in the presence of cerium oxide by the carbothermal reduction of the starch-SiO2 hybrids gel.The samples were characterized by X-ray diffraction(XRD),scanning electron microscopy(SEM),transmission electron microscopy(TEM),high-resolution transmission electron microscopy(HRTEM) and energy-dispersed X-ray(EDX).The results showed that the nanowires consisted of a 20-35 nm diameter crystalline β-SiC core wrapped with a 2-5 n...

  15. EFFECTS OF HIGH TEMPERATURE PRETREATMENTS ON HIGH TEMPERATURE FRACTURE BEHAVIOR OF SiC-C/SiC

    Institute of Scientific and Technical Information of China (English)

    X.G. Luan; L.F. Cheng; S.R. Qiao; J. Zhang

    2004-01-01

    The samples made from a SiC-C/SiC composite were pretreated in Ar under creep,fatigue, creep and fatigue interaction, as well as in dry oxygen and wet oxygen under fatigue at 1300℃ for 15 hours. The fracture behaviors of the pretreated samples were investigated at 1300℃. The loading-strain curves and the microstructures of the sample were compared with each other. The various of high temperature tensile behaviors was attributed to the different microstructures resulted from different high temperature pretreatments.

  16. a-Si:H/c-Si heterojunction front- and back contacts for silicon solar cells with p-type base

    Energy Technology Data Exchange (ETDEWEB)

    Rostan, Philipp Johannes

    2010-07-01

    This thesis reports on low temperature amorphous silicon back and front contacts for high-efficiency crystalline silicon solar cells with a p-type base. The back contact uses a sequence of intrinsic amorphous (i-a-Si:H) and boron doped microcrystalline (p-{mu}c-Si:H) silicon layers fabricated by Plasma Enhanced Chemical Vapor Deposition (PECVD) and a magnetron sputtered ZnO:Al layer. The back contact is finished by evaporating Al onto the ZnO:Al and altogether prepared at a maximum temperature of 220 C. Analysis of the electronic transport of mobile charge carriers at the back contact shows that the two high-efficiency requirements low back contact series resistance and high quality c-Si surface passivation are in strong contradiction to each other, thus difficult to achieve at the same time. The preparation of resistance- and effective lifetime samples allows one to investigate both requirements independently. Analysis of the majority charge carrier transport on complete Al/ZnO:Al/a-Si:H/c-Si back contact structures derives the resistive properties. Measurements of the effective minority carrier lifetime on a-Si:H coated wafers determines the back contact surface passivation quality. Both high-efficiency solar cell requirements together are analyzed in complete photovoltaic devices where the back contact series resistance mainly affects the fill factor and the back contact passivation quality mainly affects the open circuit voltage. The best cell equipped with a diffused emitter with random texture and a full-area a-Si:H/c-Si back contact has an independently confirmed efficiency {eta} = 21.0 % with an open circuit voltage V{sub oc} = 681 mV and a fill factor FF = 78.7 % on an area of 1 cm{sup 2}. An alternative concept that uses a simplified a-Si:H layer sequence combined with Al-point contacts yields a confirmed efficiency {eta} = 19.3 % with an open circuit voltage V{sub oc} = 655 mV and a fill factor FF = 79.5 % on an area of 2 cm{sup 2}. Analysis of the

  17. Bond Issues.

    Science.gov (United States)

    Pollack, Rachel H.

    2000-01-01

    Notes trends toward increased borrowing by colleges and universities and offers guidelines for institutions that are considering issuing bonds to raise money for capital projects. Discussion covers advantages of using bond financing, how use of bonds impacts on traditional fund raising, other cautions and concerns, and some troubling aspects of…

  18. Effect of wet-chemical substrate pretreatment on electronic interface properties and recombination losses of a -Si:H/c -Si and a -SiN{sub x}:H/c -Si hetero-interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Angermann, Heike; Conrad, Erhard; Korte, Lars; Schmidt, Manfred [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Institut fuer Silizium-Photovoltaik, Berlin (Germany); Wuensch, Frank; Kunst, Marinus [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Institut Solare Brennstoffe und Energiespeichermaterialien, Berlin (Germany); Laades, Abdelazize; Stuerzebecher, Uta [CiS Institut fuer Mikrosensorik GmbH, SolarZentrum Erfurt (Germany)

    2011-03-15

    Surface charge, surface state density and interface recombination behavior on polished float zone (FZ) solar cell substrates were investigated after various wet-chemical pre-cleaning procedures and deposition of amorphous silicon (a-Si:H) or silicon nitride (a-SiNx:H). Applying surface photo voltage (SPV), microwave detected photo conductance decay ({mu}W-PCD) and transient microwave conduction (TRMC) measurements, electronic interface properties were monitored repeatedly during the preparation processes. As shown for an inverted a-Si:H/c-Si hetero-junction structure, with front side passivation by a-SiN{sub x}:H and a p-type a-Si:H emitter on the rear side, the effect of optimised wet-chemical pre-treatment can be preserved during the subsequent soft plasma enhanced chemical vapour deposition of a-Si:H or a-SiN{sub x}:H. This leads to hetero-interfaces with low interface recombination velocities. These results were compared to previously reported findings, obtained on textured Czochralski (CZ) single crystalline substrates. a-SiN{sub x}:H is known to result in a field effect passivation. Nevertheless a strong influence of wet-chemical treatments on surface charge and recombination losses was observed on both flat and textured a-SiN{sub x}:H/c-Si interfaces. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  19. Calorimetric and computational study of thiacyclohexane 1-oxide and thiacyclohexane 1,1-dioxide (thiane sulfoxide and thiane sulfone). Enthalpies of formation and the energy of the S=O bond.

    Science.gov (United States)

    Roux, María Victoria; Temprado, Manuel; Jiménez, Pilar; Dávalos, Juan Zenón; Notario, Rafael; Guzmán-Mejía, Ramón; Juaristi, Eusebio

    2003-03-01

    A rotating-bomb combustion calorimeter specifically designed for the study of sulfur-containing compounds [J. Chem. Thermodyn. 1999, 31, 635] has been used for the determination of the enthalpy of formation of thiane sulfone, 4, Delta(f)H(o) m(g) = -394.8 +/- 1.5 kJ x mol(-1). This value stands in stark contrast with the enthalpy of formation reported for thiane itself, Delta(f)H(o) m(g) = -63.5 +/- 1.0 kJ x mol(-1), and gives evidence of the increased electronegativity of the sulfur atom in the sulfonyl group, which leads to significantly stronger C-SO2 bonds. Given the known enthalpy of formation of atomic oxygen in the gas phase, Delta(f)H(o) m(O,g) = +249.18 kJ x mol(-1), and the reported bond dissociation energy for the S=O bond in alkyl sulfones, BDE(S=O) = +470.0 kJ x mol(-1), it was possible to estimate the enthalpy of formation of thiane sulfoxide, 5, a hygroscopic compound not easy to use in experimental calorimetric measurements, Delta(f)H(o) m(5) = -174.0 kJ x mol(-1). The experimental enthalpy of formation of both 4 and 5 were closely reproduced by theoretical calculations at the G2(MP2)+ level, Delta(f)H(o) m(4) = -395.0 kJ x mol(-1) and Delta(f)H(o) m(5) = -178.0 kJ x mol(-1). Finally, calculated G2(MP2)+ values for the bond dissociation energy of the S=O bond in cyclic sulfoxide 5 and sulfone 4 are +363.7 and +466.2 kJ x mol(-1), respectively.

  20. Wide-Gap p-μc-Si1-xOx:H Films and Their Application to Amorphous Silicon Solar Cells

    Directory of Open Access Journals (Sweden)

    Taweewat Krajangsang

    2013-01-01

    Full Text Available Optimization of p-type hydrogenated microcrystalline silicon oxide thin films (p-μc-Si1-xOx:H by very high frequency plasma enhanced chemical vapor deposition 40 MHz method for use as a p-layer of a-Si:H solar cells was performed. The properties of p-μc-Si1-xOx:H films were characterized by conductivity, Raman scattering spectroscopy, and spectroscopic ellipsometry. The wide optical band gap p-μc-Si1-xOx:H films were optimized by CO2/SiH4 ratio and H2/SiH4 dilution. Besides, the effects of wide-gap p-μc-Si1-xOx:H layer on the performance of a-Si:H solar cells with various optical band gaps of p-layer were also investigated. Furthermore, improvements of open circuit voltage, short circuit current, and performance of the solar cells by using the effective wide-gap p-μc-Si1-xOx:H were observed in this study. These results indicate that wide-gap p-μc-Si1-xOx:H is promising to use as window layer in a-Si:H solar cells.

  1. Hydrogen atom abstraction reactions from tertiary amines by benzyloxyl and cumyloxyl radicals: influence of structure on the rate-determining formation of a hydrogen-bonded prereaction complex.

    Science.gov (United States)

    Salamone, Michela; DiLabio, Gino A; Bietti, Massimo

    2011-08-05

    A time-resolved kinetic study on the hydrogen atom abstraction reactions from a series of tertiary amines by the cumyloxyl (CumO(•)) and benzyloxyl (BnO(•)) radicals was carried out. With the sterically hindered triisobutylamine, comparable hydrogen atom abstraction rate constants (k(H)) were measured for the two radicals (k(H)(BnO(•))/k(H)(CumO(•)) = 2.8), and the reactions were described as direct hydrogen atom abstractions. With the other amines, increases in k(H)(BnO(•))/k(H)(CumO(•)) ratios of 13 to 2027 times were observed. k(H) approaches the diffusion limit in the reactions between BnO(•) and unhindered cyclic and bicyiclic amines, whereas a decrease in reactivity is observed with acyclic amines and with the hindered cyclic amine 1,2,2,6,6-pentamethylpiperidine. These results provide additional support to our hypothesis that the reaction proceeds through the rate-determining formation of a C-H/N hydrogen-bonded prereaction complex between the benzyloxyl α-C-H and the nitrogen lone pair wherein hydrogen atom abstraction occurs, and demonstrate the important role of amine structure on the overall reaction mechanism. Additional mechanistic information in support of this picture is obtained from the study of the reactions of the amines with a deuterated benzyloxyl radical (PhCD(2)O(•), BnO(•)-d(2)) and the 3,5-di-tert-butylbenzyloxyl radical.

  2. Luminescent pincer platinum(II) complexes with emission quantum yields up to almost unity: photophysics, photoreductive C-C bond formation, and materials applications.

    Science.gov (United States)

    Chow, Pui-Keong; Cheng, Gang; Tong, Glenna So Ming; To, Wai-Pong; Kwong, Wai-Lun; Low, Kam-Hung; Kwok, Chi-Chung; Ma, Chensheng; Che, Chi-Ming

    2015-02-09

    Luminescent pincer-type Pt(II)  complexes supported by C-deprotonated π-extended tridentate RC^N^NR' ligands and pentafluorophenylacetylide ligands show emission quantum yields up to almost unity. Femtosecond time-resolved fluorescence measurements and time-dependent DFT calculations together reveal the dependence of excited-state structural distortions of [Pt(RC^N^NR')(CC-C6 F5 )] on the positional isomers of the tridentate ligand. Pt complexes [Pt(R-C^N^NR')(CC-Ar)] are efficient photocatalysts for visible-light-induced reductive CC bond formation. The [Pt(R-C^N^NR')(CC-C6 F5 )] complexes perform strongly as phosphorescent dopants for green- and red-emitting organic light-emitting diodes (OLEDs) with external quantum efficiency values over 22.1 %. These complexes are also applied in two-photon cellular imaging when incorporated into mesoporous silica nanoparticles (MSNs).

  3. The importance of oxygen-containing defects on carbon nanotubes for the detection of polar and non-polar vapours through hydrogen bond formation

    Energy Technology Data Exchange (ETDEWEB)

    Watts, Paul C P; Mureau, Natacha; Tang, Zhenni; Miyajima, Yoji; Carey, J David; Silva, S Ravi P [Nano-Electronics Centre, Advanced Technology Institute, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom)

    2007-05-02

    We report the electrical responses of water vapour and O{sub 2} adsorption onto macroscopic multi-walled carbon nanotube (MWCNT) ropes, and compare the results with mats of acid-treated MWCNTs on SiO{sub 2} substrates in order to investigate the importance of oxygen-containing defects on CNTs. In the outgassed state both carbon nanotube (CNT) materials exhibit rapid changes in electrical resistance when exposed to dry air, humid air or water vapour at standard temperature and pressure (STP). The measured electrical responses are highly reversible at STP when cycled between humid air, vacuum and dry air. We report a decrease in resistance for the CNT materials in dry air, attributed to O{sub 2} p-type doping of the CNTs, whereas there is an increase in resistance when exposed to a humid environment. This latter effect is attributed to the formation of hydrogen bonding from the polar water molecules with the oxygen-containing defects on the CNTs. Our observations indicate that the increase in electrical resistance upon water absorption affects a reduction of the electron-withdrawing power of the oxygen-containing defect groups, thus leading to a reduced hole carrier concentration in the p-type nanotubes.

  4. Phylogeny of the Vitamin K 2,3-Epoxide Reductase (VKOR) Family and Evolutionary Relationship to the Disulfide Bond Formation Protein B (DsbB) Family.

    Science.gov (United States)

    Bevans, Carville G; Krettler, Christoph; Reinhart, Christoph; Watzka, Matthias; Oldenburg, Johannes

    2015-07-29

    In humans and other vertebrate animals, vitamin K 2,3-epoxide reductase (VKOR) family enzymes are the gatekeepers between nutritionally acquired K vitamins and the vitamin K cycle responsible for posttranslational modifications that confer biological activity upon vitamin K-dependent proteins with crucial roles in hemostasis, bone development and homeostasis, hormonal carbohydrate regulation and fertility. We report a phylogenetic analysis of the VKOR family that identifies five major clades. Combined phylogenetic and site-specific conservation analyses point to clade-specific similarities and differences in structure and function. We discovered a single-site determinant uniquely identifying VKOR homologs belonging to human pathogenic, obligate intracellular prokaryotes and protists. Building on previous work by Sevier et al. (Protein Science 14:1630), we analyzed structural data from both VKOR and prokaryotic disulfide bond formation protein B (DsbB) families and hypothesize an ancient evolutionary relationship between the two families where one family arose from the other through a gene duplication/deletion event. This has resulted in circular permutation of primary sequence threading through the four-helical bundle protein folds of both families. This is the first report of circular permutation relating distant a-helical membrane protein sequences and folds. In conclusion, we suggest a chronology for the evolution of the five extant VKOR clades.

  5. Phylogeny of the Vitamin K 2,3-Epoxide Reductase (VKOR Family and Evolutionary Relationship to the Disulfide Bond Formation Protein B (DsbB Family

    Directory of Open Access Journals (Sweden)

    Carville G. Bevans

    2015-07-01

    Full Text Available In humans and other vertebrate animals, vitamin K 2,3-epoxide reductase (VKOR family enzymes are the gatekeepers between nutritionally acquired K vitamins and the vitamin K cycle responsible for posttranslational modifications that confer biological activity upon vitamin K-dependent proteins with crucial roles in hemostasis, bone development and homeostasis, hormonal carbohydrate regulation and fertility. We report a phylogenetic analysis of the VKOR family that identifies five major clades. Combined phylogenetic and site-specific conservation analyses point to clade-specific similarities and differences in structure and function. We discovered a single-site determinant uniquely identifying VKOR homologs belonging to human pathogenic, obligate intracellular prokaryotes and protists. Building on previous work by Sevier et al. (Protein Science 14:1630, we analyzed structural data from both VKOR and prokaryotic disulfide bond formation protein B (DsbB families and hypothesize an ancient evolutionary relationship between the two families where one family arose from the other through a gene duplication/deletion event. This has resulted in circular permutation of primary sequence threading through the four-helical bundle protein folds of both families. This is the first report of circular permutation relating distant a-helical membrane protein sequences and folds. In conclusion, we suggest a chronology for the evolution of the five extant VKOR clades.

  6. Formation of cationic [RP5Cl](+)-cages via insertion of [RPCl](+)-cations into a P-P bond of the P4 tetrahedron.

    Science.gov (United States)

    Holthausen, Michael H; Feldmann, Kai-Oliver; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J

    2012-03-19

    Fluorobenzene solutions of RPCl(2) and a Lewis acid such as ECl(3) (E = Al, Ga) in a 1:1 ratio are used as reactive sources of chlorophosphenium cations [RPCl](+), which insert into P-P bonds of dissolved P(4). This general protocol represents a powerful strategy for the synthesis of new cationic chloro-substituted organophosphorus [RP(5)Cl](+)-cages as illustrated by the isolation of several monocations (21a-g(+)) in good to excellent yields. For singular reaction two possible reaction mechanisms are proposed on the basis of quantum chemical calculations. The intriguing NMR spectra and structures of the obtained cationic [RP(5)Cl](+)-cages are discussed. Furthermore, the reactions of dichlorophosphanes and the Lewis acid GaCl(3) in various stoichiometries are investigated to obtain a deeper understanding of the species involved in these reactions. The formation of intermediates such as RPCl(2)·GaCl(3) (14) adducts, dichlorophosphanylchlorophosphonium cations [RPCl(2)-RPCl](+) (16(+)) and [RPCl(2)-RPCl-GaCl(3)](+) (17(+)) in reaction mixtures of RPCl(2) and GaCl(3) in fluorobenzene strongly depends on the basicity of the dichlorophosphane RPCl(2) (R = tBu, Cy, iPr, Et, Me, Ph, C(6)F(5)) and the reaction stoichiometry.

  7. Formation of reversible disulfide bonds with the protein matrix of the endoplasmic reticulum correlates with the retention of unassembled Ig light chains.

    Science.gov (United States)

    Reddy, P; Sparvoli, A; Fagioli, C; Fassina, G; Sitia, R

    1996-01-01

    Exposed thiols act as intracellular retention elements for unassembled secretory molecules. Yet, some free Ig lambda light chains are secreted despite the presence of an unpaired cysteine (Cys214). This is due largely to the presence of a flanking acidic residue: substitution of Asp213 for Gly or Lys increases pre-Golgi retention and degradation of free lambda. Secretion is restored by exogenous reducing agents or by assembly with heavy chains. In the endoplasmic reticulum (ER), lambda chains form covalent complexes with many proteins through Cys214. These complexes are absent from the Golgi. They are more abundant in transfectants expressing the lambdaGly2I3 and lambdaLys213 mutants that are poorly secreted. Radioactive N-ethylmaleimide labels some monomeric lambda chains isolated from the ER, but not from the Golgi or from the medium, indicating that the Cys214 thiol is masked during ER-Golgi transport. Mass spectrometry reveals the presence of a free cysteine residue disulfide-linked to Cys214. We suggest that thiol-mediated retention involves the formation of reversible disulfide bonds with the protein matrix of the ER. The presence of an acidic residue next to the critical cysteine may allow the masking of the thiol and transport to the Golgi. Images PMID:8641273

  8. Study of optical sensors of the form Al/a-SiC:H/c-Si(n with high sensitivity.

    Directory of Open Access Journals (Sweden)

    L. Magafas

    2008-06-01

    Full Text Available In the present work optical sensors of the form Al/a-SiC:H/c-Si(n, for different thickness of a-SiC:H thin films are stud-ied. More specifically, a-SiC:H thin films were deposited by rf sputtering technique on c-Si(n substrates for different thickness of the amorphous semiconductor and, subsequently, the samples were annealed in the temperature range from 300oC up to 675 oC. Experimental measurements of the optical response of these sensors showed that for thicknesses of a-SiC:H greater than a critical value, which depends on annealing temperature, a mechanism of losses is appeared in the region of wavelengths from 525nm up to 625nm. This behaviour is attributed to the recombination of photo-generated electrons-hole pairs in the neutral region of a-SiC:H, when this exceeds the diffusion length of minority carries, Lp. Also, the value of the reverse bias voltage appears to influence considerably the optical response of these sensors when d > Lp in the case where the a-SiC: H thin films were annealed at 600oC.

  9. ProTEK PSB as Biotechnology Photosensitive Protection Mask on 3C-SiC-on-Si in MEMS Sensor

    Science.gov (United States)

    Marsi, N.; Majlis, B. Y.; Mohd-Yasin, F.; Hamzah, A. A.; Mohd Rus, A. Z.

    2016-11-01

    This project presents the fabrication of MEMS employing a cubic silicon carbide (3C- SiC) on silicon wafer using newly developed ProTEK PSB as biotechnology photosensitive protection mask. This new biotechnology can reduce the number of processes and simplify the process flow with minimal impact on overall undercut performance. The 680 pm thick wafer is back-etched, leaving the 3C-SiC thin film with a thickness of 1.0 μm as the flexible diaphragm to detect pressure. The effect of the new coating of ProTEK PSB on different KOH solvents were investigated depending on various factors such as development time, final cure temperature and the thickness of the ProTEK PSB deposited layer. It is found that 6.174 μm thickness of ProTEK PSB offers some possibility of reducing the processing time compared to silicon nitride etch masks in KOH (55%wt, 80°C). The new ProTEK PSB biotechnology photosensitive protection mask indicates good stability and sustains its performance in different treatments under KOH and IPA for 8 hours. This work also revealed that the fabrication of MEMS sensors using the new biotechnology photosensitive protection mask provides a simple assembly approach and reduces manufacturing costs. The MEMS sensor can operate up to 500 °C as indicated under the sensitivity of 0.826 pF/MPa with nonlinearity and hysteresis of 0.61% and 3.13%, respectively.

  10. Modeling Forced Flow Chemical Vapor Infiltration Fabrication of SiC-SiC Composites for Advanced Nuclear Reactors

    Directory of Open Access Journals (Sweden)

    Christian P. Deck

    2013-01-01

    Full Text Available Silicon carbide fiber/silicon carbide matrix (SiC-SiC composites exhibit remarkable material properties, including high temperature strength and stability under irradiation. These qualities have made SiC-SiC composites extremely desirable for use in advanced nuclear reactor concepts, where higher operating temperatures and longer lives require performance improvements over conventional metal alloys. However, fabrication efficiency advances need to be achieved. SiC composites are typically produced using chemical vapor infiltration (CVI, where gas phase precursors flow into the fiber preform and react to form a solid SiC matrix. Forced flow CVI utilizes a pressure gradient to more effectively transport reactants into the composite, reducing fabrication time. The fabrication parameters must be well understood to ensure that the resulting composite has a high density and good performance. To help optimize this process, a computer model was developed. This model simulates the transport of the SiC precursors, the deposition of SiC matrix on the fiber surfaces, and the effects of byproducts on the process. Critical process parameters, such as the temperature and reactant concentration, were simulated to identify infiltration conditions which maximize composite density while minimizing the fabrication time.

  11. Performance improvement of n-i-p μc-Si:H solar cells by gradient hydrogen dilution technique

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    High pressure radio frequency plasma enhanced chemical vapor deposition(RF-PECVD)process was adopted to investigate the effect of constant hydrogen dilution technique and gradient hydrogen dilu-tion technique on the structural evolution of intrinsic films and the performance of n-i-p microcrystal-line silicon solar cells.The experiment results demonstrated that the grain size and crystalline volume fraction along the growth direction of intrinsic films can be controlled and the performance of solar cells can be greatly improved by gradient hydrogen dilution technique.An initial active-area efficiency of 5.7%(Voc=0.47V,Jsc=20.2mA/cm2,FF=60%)for the μc-Si:H single-junction n-i-p solar cells and an initial active-area efficiency of 10.12%(Voc=1.2V,Jsc=12.05mA/cm2,FF=70%)for the a-Si:H/μc-Si:H tandem n-i-p solar cells has been achieved.

  12. LAMMPS Framework for Directional Dynamic Bonding

    DEFF Research Database (Denmark)

    2012-01-01

    and bond types. When breaking bonds, all angular and dihedral interactions involving broken bonds are removed. The framework allows chemical reactions to be modeled, and use it to simulate a simplistic, coarse-grained DNA model. The resulting DNA dynamics illustrates the power of the present framework.......We have extended the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) to support directional bonds and dynamic bonding. The framework supports stochastic formation of new bonds, breakage of existing bonds, and conversion between bond types. Bond formation can be controlled...... to limit the maximal functionality of a bead with respect to various bond types. Concomitant with the bond dynamics, angular and dihedral interactions are dynamically introduced between newly connected triplets and quartets of beads, where the interaction type is determined from the local pattern of bead...

  13. Neural Regulation of Pair Bond Formation in a Monogamous Rodent Species%单配制啮齿动物Pair Bond形成的神经调节机制

    Institute of Scientific and Technical Information of China (English)

    Brandon J.Aragona; J.Thomas Curtis; 刘彦; 汪作新

    2004-01-01

    单配制啮齿动物社会结构的神经生物学原理可以通过实验室研究Social bonding而获得.在本文中,我们探讨了如何利用单配制的草原田鼠(Microtus ochrogaster)作为研究模型揭示pair bond形成的神经调控机制.我们进而探讨了单配制与多配制田鼠之间神经解剖学的差异以及神经化学物质的调节是怎样影响pair bond的.本篇综述还讨论了与pair bond形成有关的神经化学系统之间的相互影响以及pair bond形成过程中的两性差异.最后,我们预测了这一研究领域的未来研究方向以及研究social bonding的神经调控对人类健康的重要性.%The neurobiology of monogamous social organization can be studied by laboratory examination of social bonding. In this review, we discuss how the monogamous prairie vole (Microtus ochrogaster) has been used as a model system to provide tremendous insight into the neural regulation of pair bond formation. Neuroanatomical differences between monogamous and non-monogamous voles, as well as how neurochemical manipulations affect pair bond formation are reviewed. In addition, interactions among neurochemical systems that regulate pair bond formation and the extent of sexual dimorphism associated with pair bonding are discussed. Finally, we propose future directions for this line of research and explain why understanding the neural regulation of social bonding is important for human health.

  14. Rapid formation of Ni3Sn4 joints for die attachment of SiC-based high temperature power devices using ultrasound-induced transient liquid phase bonding process.

    Science.gov (United States)

    Li, Z L; Dong, H J; Song, X G; Zhao, H Y; Feng, J C; Liu, J H; Tian, H; Wang, S J

    2017-05-01

    High melting point Ni3Sn4 joints for the die attachment of SiC-based high temperature power devices was successfully achieved using an ultrasound-induced transient liquid phase (TLP) bonding process within a remarkably short bonding time of 8s. The formed intermetallic joints, which are completely composed of the refined equiaxial Ni3Sn4 grains with the average diameter of 2μm, perform the average shear strength of 26.7MPa. The sonochemical effects of ultrasonic waves dominate the mechanism and kinetics of the rapid formation of Ni3Sn4 joints.

  15. Defect-Induced Nucleation and Epitaxy: A New Strategy toward the Rational Synthesis of WZ-GaN/3C-SiC Core-Shell Heterostructures.

    Science.gov (United States)

    Liu, Baodan; Yang, Bing; Yuan, Fang; Liu, Qingyun; Shi, Dan; Jiang, Chunhai; Zhang, Jinsong; Staedler, Thorsten; Jiang, Xin

    2015-12-01

    In this work, we demonstrate a new strategy to create WZ-GaN/3C-SiC heterostructure nanowires, which feature controllable morphologies. The latter is realized by exploiting the stacking faults in 3C-SiC as preferential nucleation sites for the growth of WZ-GaN. Initially, cubic SiC nanowires with an average diameter of ∼100 nm, which display periodic stacking fault sections, are synthesized in a chemical vapor deposition (CVD) process to serve as the core of the heterostructure. Subsequently, hexagonal wurtzite-type GaN shells with different shapes are grown on the surface of 3C-SiC wire core. In this context, it is possible to obtain two types of WZ-GaN/3C-SiC heterostructure nanowires by means of carefully controlling the corresponding CVD reactions. Here, the stacking faults, initially formed in 3C-SiC nanowires, play a key role in guiding the epitaxial growth of WZ-GaN as they represent surface areas of the 3C-SiC nanowires that feature a higher surface energy. A dedicated structural analysis of the interfacial region by means of high-resolution transmission electron microscopy (HRTEM) revealed that the disordering of the atom arrangements in the SiC defect area promotes a lattice-matching with respect to the WZ-GaN phase, which results in a preferential nucleation. All WZ-GaN crystal domains exhibit an epitaxial growth on 3C-SiC featuring a crystallographic relationship of [12̅10](WZ-GaN) //[011̅](3C-SiC), (0001)(WZ-GaN)//(111)(3C-SiC), and d(WZ-GaN(0001)) ≈ 2d(3C-SiC(111)). The approach to utilize structural defects of a nanowire core to induce a preferential nucleation of foreign shells generally opens up a number of opportunities for the epitaxial growth of a wide range of semiconductor nanostructures which are otherwise impossible to acquire. Consequently, this concept possesses tremendous potential for the applications of semiconductor heterostructures in various fields such as optics, electrics, electronics, and photocatalysis for energy harvesting

  16. Formats

    Directory of Open Access Journals (Sweden)

    Gehmann, Ulrich

    2012-03-01

    Full Text Available In the following, a new conceptual framework for investigating nowadays’ “technical” phenomena shall be introduced, that of formats. The thesis is that processes of formatting account for our recent conditions of life, and will do so in the very next future. It are processes whose foundations have been laid in modernity and which will further unfold for the time being. These processes are embedded in the format of the value chain, a circumstance making them resilient to change. In addition, they are resilient in themselves since forming interconnected systems of reciprocal causal circuits.Which leads to an overall situation that our entire “Lebenswelt” became formatted to an extent we don’t fully realize, even influencing our very percep-tion of it.

  17. Bond Growth under Temperature Gradient.

    Directory of Open Access Journals (Sweden)

    P.K. Satyawali

    1999-12-01

    Full Text Available Grain and bond growth for dry snow are determined by the distribution of temperature andtemperature gradient in the snow matrix. From the standpoint of particle approach and based oncubic packing structure, a bond growth model has been developed for TG metamorphism. The paper.highlights the importance of bond formation and its effect on snow viscosity and finally on the rateof settlement. This is very important for developing a numerical snow pack model if microstructureis considered to be a basic parameter. A few experiments have been carried out to validate bond formation under temperature gradient.

  18. Back Surface Field of Mc-Si(n)/c-Si(p)Heterojunction Solar Cells by Simulation and Optimization%μc-Si(n)/c-Si(p)异质结太阳电池微晶硅背场的模拟与优化

    Institute of Scientific and Technical Information of China (English)

    李力猛; 周炳卿; 陈霞; 韩兵; 郝丽媛

    2009-01-01

    采用AFORS-HET软件模拟了微晶硅背场对μc-si(n)/c-si(p)异质结太阳电池性能的影响.结果显示:微晶硅背场的厚度对电池性能影响较小;而随着背场掺杂浓度的提高,短路电流和填充因子都逐渐提高,太阳电池效率随之增大;随着带隙的增大,短路电流和效率均是先增大,当带隙超过1.55ev时逐渐变小.当微晶硅背场的厚度为10nm,掺杂浓度为3×1018/cm3,带隙为1.55ev时,太阳电池的转化效率最高,达到21.8%.

  19. Formation of a dinuclear copper(II) complex through the cleavage of CBond' name='Single-Bond' value='Single-Bond'/>N bond of 1-benzoyl-3-(pyridin-2-yl)-1H-pyrazole

    Energy Technology Data Exchange (ETDEWEB)

    Shardin, Rosidah; Pui, Law Kung; Yamin, Bohari M. [School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, UKM 43600 Bangi, Selangor (Malaysia); Kassim, Mohammad B. [School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, UKM 43600 Bangi, Selangor, Malaysia and Fuel Cell Institute, Universiti Kebangsaan Malaysia, UKM 43600 Bangi, Selangor (Malaysia)

    2014-09-03

    A simple mononuclear octahedral copper(II) complex was attempted from the reaction of three moles of 1-benzoyl-3-(pyridin-2-yl)-1H-pyrazole and one mole of copper(II) perchlorate hexahydrate in methanol. However, the product of the reaction was confirmed to be a dinuclear copper(II) complex with μ-(3-(pyridin-2-yl)-pyrazolato) and 3-(pyridin-2-yl)-1H-pyrazole ligands attached to each of the Cu(II) centre atom. The copper(II) ion assisted the cleavage of the C{sub benzoyl}Bond' name='Single-Bond' value='Single-Bond'/>N bond afforded a 3-(pyridin-2-yl)-1H-pyrazole molecule. Deprotonation of the 3-(pyridin-2-yl)-1H-pyrazole gave a 3-(pyridin-2-yl)-pyrazolato, which subsequently reacted with the Cu(II) ion to give the (3-(pyridin-2-yl)-pyrazolato)(3-(pyridin-2-yl)-1H-pyrazole)Cu(II) product moiety. The structure of the dinuclear complex was confirmed by x-ray crystallography. The complex crystallized in a monoclinic crystal system with P2(1)/n space group and cell dimensions of a = 12.2029(8) Å, b = 11.4010(7) Å, c = 14.4052(9) Å and β = 102.414(2)°. The compound was further characterized by mass spectrometry, CHN elemental analysis, infrared and UV-visible spectroscopy and the results concurred with the x-ray structure. The presence of d-d transition at 671 nm (ε = 116 dm{sup 3} mol{sup −1} cm{sup −1}) supports the presence of Cu(II) centres.

  20. Effect of C, Si and P on intergranular corrosion susceptibility of type 316 stainless steel; 316 kei stainless ko no ryuiaki fushokusei ni oyobosu kochu C, Si oyobi P no eikyo

    Energy Technology Data Exchange (ETDEWEB)

    Kaneko, M.; Abe, S. [Nippon Steel Corp., Tokyo (Japan)

    1995-07-15

    The effect of C, Si and P on intergranular corrosion (IGC) susceptibility of Type 316 painless steels (SS) has been studied in terms of the composition dependent IGC and the impound dependent IGC. The results obtained are as follows; (1) C increases the IGC existence of Type 316 SS in Huey and Coriou tests by suppressing the precipitation of Laves phase. However, severe IGC occurs in HNO3 + HF and Huey tests when the Cr depleted one is continuously formed at grainboundaries (GB). (2) Si raises the IGC susceptibility both in Huey and Coriou tests. It is considered that Si enhances the precipitation of Laves phase at GB. (3) p also increases the IGC susceptibility both in Huey and Coriou tests by decapitating as Ni-P phosphides at GB. 10 refs., 12 figs., 2 tabs.

  1. Au/(C/SiO2)/p-Si结构中的电流输运机理研究%Study on the current transport mechanisms of the structure Au/(C/SiO2 )/p-Si

    Institute of Scientific and Technical Information of China (English)

    张汉谋; 马书懿

    2006-01-01

    采用射频磁控溅射方法制备了镶嵌纳米碳粒的SiO2薄膜,利用Au/(C/SiO2)/p-Si结构的Ⅰ-Ⅴ特性曲线,对其电流输运机理进行了分析.结果表明,正向偏压较小时,薄膜中的电流符合欧姆电流输运机制;正向偏压较大时,薄膜中的电流主要是Schottky发射和Frenkel-Poole发射2种电流输运机制的共同作用结果.这一结论与样品的EL(electroluminescence)是由SiO2中的发光中心引起的结论相一致.

  2. Parental Bonding

    Directory of Open Access Journals (Sweden)

    T. Paul de Cock

    2014-08-01

    Full Text Available Estimating the early parent–child bonding relationship can be valuable in research and practice. Retrospective dimensional measures of parental bonding provide a means for assessing the experience of the early parent–child relationship. However, combinations of dimensional scores may provide information that is not readily captured with a dimensional approach. This study was designed to assess the presence of homogeneous groups in the population with similar profiles on parental bonding dimensions. Using a short version of the Parental Bonding Instrument (PBI, three parental bonding dimensions (care, authoritarianism, and overprotection were used to assess the presence of unobserved groups in the population using latent profile analysis. The class solutions were regressed on 23 covariates (demographics, parental psychopathology, loss events, and childhood contextual factors to assess the validity of the class solution. The results indicated four distinct profiles of parental bonding for fathers as well as mothers. Parental bonding profiles were significantly associated with a broad range of covariates. This person-centered approach to parental bonding has broad utility in future research which takes into account the effect of parent–child bonding, especially with regard to “affectionless control” style parenting.

  3. Transition metal chemistry of cyclodiphosphanes containing phosphine and amide-phosphine functionalities: formation of a stable dipalladium(II) complex containing a Pd-P σ-bond.

    Science.gov (United States)

    Balakrishna, Maravanji S; Venkateswaran, Ramalingam; Mague, Joel T

    2010-12-14

    Cyclodiphosphazanes containing phosphine or phosphine plus amide functionalities {((t)BuNP(OC(6)H(4)PPh(2)-o)}(2) (3), {(t)BuNP(OCH(2)CH(2)PPh(2))}(2) (4), {(t)BuHN((t)BuNP)(2)OC(6)H(4)PPh(2)-o} (5), and {(t)BuHN((t)BuNP)(2)OCH(2)CH(2)PPh(2)} (6) were synthesized by reacting cis-{(t)BuNPCl}(2) (1) and cis-[(t)BuHN((t)BuNP)(2)Cl] (2) with corresponding phosphine substituted nucleophiles. The reactions of 3 and 5 with excess of elemental sulfur or selenium produce the corresponding tetra and trichalcogenides, {((t)BuNP(E)(OC(6)H(4)P(E)Ph(2)-o)}(2) (7, E = S; 8, E = Se) and {(t)BuHN((t)BuNP)(2)OC(6)H(4)P(E)Ph(2)-o} (9, E = S; 10, E = Se), respectively, in quantitative yields. The reactions between 3 and [Rh(COD)Cl](2) or [M(COD)Cl](2) (M = Pd or Pt) afford bischelated complexes [Rh(CO)Cl{(t)BuNP(OC(6)H(4)PPh(2)-o)}](2) (11), and [MCl(2){(t)BuNP(OC(6)H(4)PPh(2)-o)}](2) (12, M = Pd; 13, M = Pt) in good yield. The 1 : 2 reaction between 3 and [PdCl(η(3)-C(3)H(5))](2) in dichloromethane resulted initially in the formation of a tripalladium complex of the type [Pd(3)Cl(4)(η(3)-C(3)H(5))(2){(t)BuNPOC(6)H(4)PPh(2)}(2)] (14a) which readily reacts with moisture to form an interesting binuclear complex, [Cl(2)Pd{μ-(PPh(2)C(6)H(4)OP(μ-(t)BuN)(2)P(O)}(μ-Cl)Pd(OC(6)H(4)PPh(2))] (14b). One of the palladium(II) atoms forms a simple six-membered chelate ring, whereas the other palladium(II) atom facilitates the moisture assisted cleavage of one of the endocyclic P-O bonds followed by the oxidation of P(III) to P(V) thus forming a Pd-P σ-bond. The broken ortho-phosphine substituted phenoxide ion forms a five-membered palladacycle with the same palladium(II) atom. Similar reaction of 5 with [PdCl(η(3)-C(3)H(5))](2) also affords a binuclear complex [{PdCl(η(3)-C(3)H(5))}(t)BuNH{(t)BuNP}(2)OC(6)H(4)PPh(2){PdCl(2)}] (15) containing a PdCl(2) moiety which forms a six-membered chelate ring via ring-phosphorus and PPh(2) moieties on one side and a PdCl(η(3)-C(3)H(5)) fragment

  4. Manufacturing metrology for c-Si photovoltaic module reliability and durability, Part I: Feedstock, crystallization and wafering

    Energy Technology Data Exchange (ETDEWEB)

    Seigneur, Hubert; Mohajeri, Nahid; Brooker, R. Paul; Davis, Kristopher O.; Schneller, Eric J.; Dhere, Neelkanth G.; Rodgers, Marianne P.; Wohlgemuth, John; Shiradkar, Narendra S.; Scardera, Giuseppe; Rudack, Andrew C.; Schoenfeld, Winston V.

    2016-06-01

    This article is the first in a three-part series of manufacturing metrology for c-Si photovoltaic (PV) module reliability and durability. Here in Part 1 we focus on the three primary process steps for making silicon substrates for PV cells: (1) feedstock production; (2) ingot and brick production; and (3) wafer production. Each of these steps can affect the final reliability/durability of PV modules in the field with manufacturing metrology potentially playing a significant role. This article provides a comprehensive overview of historical and current processes in each of these three steps, followed by a discussion of associated reliability challenges and metrology strategies that can be employed for increased reliability and durability in resultant modules. Gaps in the current state of understanding in connective metrology data during processing to reliability/durability in the field are then identified along with suggested improvements that should be considered by the PV community.

  5. From 1 Sun to 10 Suns c-Si Cells by Optimizing Metal Grid, Metal Resistance, and Junction Depth

    Directory of Open Access Journals (Sweden)

    Vikrant A. Chaudhari

    2009-01-01

    Full Text Available Use of a solar cell in concentrator PV technology requires reduction in its series resistance in order to minimize the resistive power losses. The present paper discusses a methodology of reducing the series resistance of a commercial c-Si solar cell for concentrator applications, in the range of 2 to 10 suns. Step by step optimization of commercial cell in terms of grid geometry, junction depth, and electroplating of the front metal contacts is proposed. A model of resistance network of solar cell is developed and used for the optimization. Efficiency of unoptimized commercial cell at 10 suns drops by 30% of its 1 sun value corresponding to resistive power loss of about 42%. The optimized cell with grid optimization, junction optimization, electroplating, and junction optimized with electroplated contacts cell gives resistive power loss of 20%, 16%, 11%, and 8%, respectively. An efficiency gain of 3% at 10 suns for fully optimized cell is estimated.

  6. Microscopic and macroscopic characterization of the charging effects in SiC/Si nanocrystals/SiC sandwiched structures.

    Science.gov (United States)

    Xu, Jie; Xu, Jun; Wang, Yuefei; Cao, Yunqing; Li, Wei; Yu, Linwei; Chen, Kunji

    2014-02-07

    Microscopic charge injection into the SiC/Si nanocrystals/SiC sandwiched structures through a biased conductive AFM tip is subsequently characterized by both electrostatic force microscopy and Kelvin probe force microscopy (KPFM). The charge injection and retention characteristics are found to be affected by not only the band offset at the Si nanocrystals/SiC interface but also the doping type of the Si substrate. On the other hand, capacitance-voltage (C-V) measurements investigate the macroscopic charging effect of the sandwiched structures with a thicker SiC capping layer, where the charges are injected from the Si substrates. The calculated macroscopic charging density is 3-4 times that of the microscopic one, and the possible reason is the underestimation of the microscopic charging density caused by the averaging effect and detection delay in the KPFM measurements.

  7. ArF-excimer-laser annealing of 3C-SiC films—diode characteristics and numerical simulation

    Science.gov (United States)

    Mizunami, T.; Toyama, N.

    2003-09-01

    We fabricated Schottky barrier diodes using 3C-SiC films deposited on Si(1 1 1) by lamp-assisted thermal chemical vapor deposition and annealed with an ArF excimer laser. Improvement in both the reverse current and the ideality factor was obtained with 1-3 pulses with energy densities of 1.4- 1.6 J/cm2 per pulse. We solved a heat equation numerically assuming a transient liquid phase of SiC. The calculated threshold energy density for melting the surface was 0.9 J/cm2. The thermal effects of Si substrate on SiC film were also discussed. The experimental optimum condition was consistent the numerical simulation.

  8. In-situ Observation of Fracture Behavior on Nano Structure in NITE SiC/SiC Composite by HVEM

    Energy Technology Data Exchange (ETDEWEB)

    Shibayama, Tamaki; Hamada, Kouichi; Watanabe, Seiichi [Faculty of Engineering, Hokkaido University, Sapporo, Hokkaido 060-8628 (Japan); Matsuo, Genichiro [Hokkaido University, Sapporo, Hokkaido 060-8628 (Japan); Kishimoto, Hirotatsu, E-mail: shiba@ufml.caret.hokudai.ac.jp [Muroran Institute of Techniology, Muroran, Hokkaido 050-8585 (Japan)

    2011-10-29

    We have been successfully done in situ observation on the sequence of fracture event at the interface of NITE SiC/SiC composite examined by using miniaturized double notched shear specimen for TEM prepared by Focused Ion Beam method. In this study, we used nano-mechanics TEM experimental apparatus to investigate not only microstructure evolution and but also load and displacement curve at once in High Voltage Electron Microscope. Our results summarize as follows. Cracks were initiated at the interface between carbon coating layer on the SiC fiber and SiC matrices, and propagated along the interface. Load drop in the load and displacement curve during in-situ TEM was clearly observed at the crack initiation. The shear strength by using the miniaturized specimen is about ten times higher than that obtained by the standard testing.

  9. Activation and control of visible single defects in 4H-, 6H-, and 3C-SiC by oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Lohrmann, A.; Klein, J. R.; Prawer, S.; McCallum, J. C. [School of Physics, The University of Melbourne, Victoria 3010 (Australia); Castelletto, S. [School of Engineering, RMIT University, Melbourne, Victoria 3001 (Australia); Ohshima, T. [SemiConductor Analysis and Radiation Effects Group, Japan Atomic Energy Agency, 1233 Watanuki, Takasaki, Gunma 370-1292 (Japan); Bosi, M.; Negri, M. [IMEM-CNR Institute, Parco Area delle Scienze 37/A, 43124 Parma (Italy); Lau, D. W. M.; Gibson, B. C. [ARC Centre of Excellence for Nanoscale BioPhotonics, School of Science, RMIT University, Melbourne, Victoria 3001 (Australia); Johnson, B. C. [ARC Centre of Excellence for Quantum Computing and Communication Technology, School of Physics, University of Melbourne, Victoria 3010 (Australia)

    2016-01-11

    In this work, we present the creation and characterisation of single photon emitters at the surface of 4H- and 6H-SiC, and of 3C-SiC epitaxially grown on silicon. These emitters can be created by annealing in an oxygen atmosphere at temperatures above 550 °C. By using standard confocal microscopy techniques, we find characteristic spectral signatures in the visible region. The excited state lifetimes are found to be in the nanosecond regime in all three polytypes, and the emission dipoles are aligned with the lattice. HF-etching is shown to effectively annihilate the defects and to restore an optically clean surface. The defects described in this work have ideal characteristics for broadband single photon generation in the visible spectral region at room temperature and for integration into nanophotonic devices.

  10. Graphene synthesis on cubic SiC/Si wafers. perspectives for mass production of graphene-based electronic devices.

    Science.gov (United States)

    Aristov, Victor Yu; Urbanik, Grzegorz; Kummer, Kurt; Vyalikh, Denis V; Molodtsova, Olga V; Preobrajenski, Alexei B; Zakharov, Alexei A; Hess, Christian; Hänke, Torben; Büchner, Bernd; Vobornik, Ivana; Fujii, Jun; Panaccione, Giancarlo; Ossipyan, Yuri A; Knupfer, Martin

    2010-03-10

    The outstanding properties of graphene, a single graphite layer, render it a top candidate for substituting silicon in future electronic devices. The so far exploited synthesis approaches, however, require conditions typically achieved in specialized laboratories and result in graphene sheets whose electronic properties are often altered by interactions with substrate materials. The development of graphene-based technologies requires an economical fabrication method compatible with mass production. Here we demonstrate for the fist time the feasibility of graphene synthesis on commercially available cubic SiC/Si substrates of >300 mm in diameter, which result in graphene flakes electronically decoupled from the substrate. After optimization of the preparation procedure, the proposed synthesis method can represent a further big step toward graphene-based electronic technologies.

  11. Crystal structure of the 1,3,6,8-tetraazatricyclo[4.3.1.13,8]undecane (TATU–4-nitrophenol (1/2 adduct: the role of anomeric effect in the formation of a second hydrogen-bond interaction

    Directory of Open Access Journals (Sweden)

    Augusto Rivera

    2015-11-01

    Full Text Available In the title ternary co-crystalline adduct, C7H14N4·2C6H5NO3, molecules are linked by two intermolecular O—H...N hydrogen bonds, forming a tricomponent aggregates in the asymmetric unit. The hydrogen-bond formation to one of the N atoms is enough to induce structural stereoelectronic effects in the normal donor→acceptor direction. In the title adduct, the two independent nitrophenol molecules are essentially planar, with maximum deviations of 0.0157 (13 and 0.0039 (13 Å. The dihedral angles between the planes of the nitro group and the attached benzene rings are 4.04 (17 and 5.79 (17°. In the crystal, aggregates are connected by C—H...O hydrogen bonds, forming a supramolecular dimer enclosing an R66(32 ring motif. Additional C—H...O intermolecular hydrogen-bonding interactions form a second supramolecular inversion dimer with an R22(10 motif. These units are linked via C—H...O and C—H...N hydrogen bonds, forming a three-dimensional network.

  12. Cryogenic optical measurements of 12-segment-bonded carbon-fiber-reinforced silicon carbide composite mirror with support mechanism

    Science.gov (United States)

    Kaneda, Hidehiro; Nakagawa, Takao; Onaka, Takashi; Enya, Keigo; Makiuti, Sin'itirou; Takaki, Junji; Haruna, Masaki; Kume, Masami; Ozaki, Tsuyoshi

    2008-03-01

    A 720 mm diameter 12-segment-bonded carbon-fiber-reinforced silicon carbide (C/SiC) composite mirror has been fabricated and tested at cryogenic temperatures. Interferometric measurements show significant cryogenic deformation of the C/SiC composite mirror, which is well reproduced by a model analysis with measured properties of the bonded segments. It is concluded that the deformation is due mostly to variation in coefficients of thermal expansion among segments. In parallel, a 4-degree-of-freedom ball-bearing support mechanism has been developed for cryogenic applications. The C/SiC composite mirror was mounted on an aluminum base plate with the support mechanism and tested again. Cryogenic deformation of the mirror attributed to thermal contraction of the aluminum base plate via the support mechanism is highly reduced by the support, confirming that the newly developed support mechanism is promising for its future application to large-aperture cooled space telescopes.

  13. Microstructure of SiC-Si-Al2O3 composites derived from silicone resin - metal aluminum filler compounds by low temperature reduction process

    Science.gov (United States)

    Narisawa, M.; Abe, Y.

    2011-06-01

    Concentrated slurry of a silicone resin with low carbon content, 3 μm aluminum particles and ethanol were prepared. After casting, addition of cross-linking agent and drying, silicone resin-aluminum composite with thick sheet form was obtained. The prepared sheet was heat-treated at 933 or 1073K with various holding times to characterize formed phases during the heat treatments. XRD patterns and FT-IR spectra revealed free Si formation and existence of Si-O-Si bond at 933K. The Si-O-Si bond, however, disappeared and silicon carbide was formed at 1073K. SEM observation indicated formation of cracks bridged with a number of tiny struts at 933K and conversion to wholly porous structure at 1073K.

  14. a-Si:H/c-Si heterojunction front- and back contacts for silicon solar cells with p-type base

    Energy Technology Data Exchange (ETDEWEB)

    Rostan, Philipp Johannes

    2010-07-01

    This thesis reports on low temperature amorphous silicon back and front contacts for high-efficiency crystalline silicon solar cells with a p-type base. The back contact uses a sequence of intrinsic amorphous (i-a-Si:H) and boron doped microcrystalline (p-{mu}c-Si:H) silicon layers fabricated by Plasma Enhanced Chemical Vapor Deposition (PECVD) and a magnetron sputtered ZnO:Al layer. The back contact is finished by evaporating Al onto the ZnO:Al and altogether prepared at a maximum temperature of 220 C. Analysis of the electronic transport of mobile charge carriers at the back contact shows that the two high-efficiency requirements low back contact series resistance and high quality c-Si surface passivation are in strong contradiction to each other, thus difficult to achieve at the same time. The preparation of resistance- and effective lifetime samples allows one to investigate both requirements independently. Analysis of the majority charge carrier transport on complete Al/ZnO:Al/a-Si:H/c-Si back contact structures derives the resistive properties. Measurements of the effective minority carrier lifetime on a-Si:H coated wafers determines the back contact surface passivation quality. Both high-efficiency solar cell requirements together are analyzed in complete photovoltaic devices where the back contact series resistance mainly affects the fill factor and the back contact passivation quality mainly affects the open circuit voltage. The best cell equipped with a diffused emitter with random texture and a full-area a-Si:H/c-Si back contact has an independently confirmed efficiency {eta} = 21.0 % with an open circuit voltage V{sub oc} = 681 mV and a fill factor FF = 78.7 % on an area of 1 cm{sup 2}. An alternative concept that uses a simplified a-Si:H layer sequence combined with Al-point contacts yields a confirmed efficiency {eta} = 19.3 % with an open circuit voltage V{sub oc} = 655 mV and a fill factor FF = 79.5 % on an area of 2 cm{sup 2}. Analysis of the

  15. Interface structure and formation mechanism of vacuum-free vibration liquid phase diffusion-bonded joints of SiCp/ZL101A composites

    Institute of Scientific and Technical Information of China (English)

    YAN Jiu-chun; XU Hui-bin; XU Zhi-wu; LI Da-cheng; YANG Shi-qin

    2005-01-01

    The vacuum-free vibration liquid phase(VLP) diffusion-bonding of SiCp/ZL101A composites was investigated. The effects of vibration on the interface structure, the phase transformation and the tensile strength of bonded joints were examined. Experimental results show that the oxide film on the surface of the composites is a key factor affecting the tensile strength of boned joints. The distribution of the oxide layers at the interface changes from a continuous line to a discontinuous one during vibration. The tensile strength of the VLP diffusion-bonded joints increases with the vibration time, and is up to the maximum of 172 MPa when the vibration time is 30 s. The phase structure of the bond region changes from the Zn-Al-Cu hyper-eutectic (η+ (β+ η)+(β+η+ε)) phases to Al-rich Al-base solid solution (α-Al) with increasing the vibration time.

  16. Copper-Catalyzed Redox-Triggered Remote C-H Functionalization: Highly Selective Formation of C-CF3 and C-O Bonds

    Institute of Scientific and Technical Information of China (English)

    Taotao Li; Peng Yu; Jin-Shun Lin; Yonggang Zhi; Xin-Yuan Liu

    2016-01-01

    A Cu-catalyzed remote sp3 C-H/unactivated alkenes functionalization reaction for the concomitant construction ofC-CF3 and C-O bonds was described.An 1,5-H radical transfer involving an sp3 C-H bond adjacent to a nitrogen atom and an α-CF3-alkyl radical intermediate derived from unactivated alkenes was observed and demonstrated to proceed via the radical process.

  17. C/SiC舵结构热试验瞬态温度场预示技术%Prediction techniques of transient temperature distribution during thermal tests for C/SiC rudder

    Institute of Scientific and Technical Information of China (English)

    刘宝瑞; 孔凡金; 张伟; 吴振强; 郭静

    2015-01-01

    Aerocraft will be exposed to extreme aerothermal load during hypersonic flight in atmosphere. High-temperature composites such as C/SiC and C/C are widely used in the hot structures of aerocraft because of their high temperature resistance, high specific stiffness and high specific modulus. In order to evaluate the performance and integration of the hot structures, ground thermal tests are routinely conducted, and quartz lamp radiation heaters are considered as an important mean to simulate instantaneous aerothermal environment. Since the ground tests are costly, unrepeatable and difficult, simulation technology of structure thermal test is developed. A simulation method of the experimental transient radiation heating dynamic control process is established. Instantaneous temperature distribution of the aerocraft rudder is obtained based on the thermal network theory and the Monte-Carlo theory. The accuracy of the method is proved by comparing with the test results. This paper provides technical support for optimal design of thermal test plan and validity evaluation of test results.%航天飞行器在大气层中高马赫数飞行时,会面临严酷的气动加热环境,C/SiC、C/C 等高温复合材料由于具有耐高温、高比强、高比模等优点,在飞行器热结构设计中得到大量应用。为了考核热结构服役过程中的高温力学性能和完整性,需要根据飞行时序进行地面结构热环境试验,其中石英灯辐射加热装置是模拟瞬态气动热环境的一种重要手段。地面结构热试验具有不可重复、技术难度大等特点,发展结构热试验辐射热环境预示技术可以有效支撑飞行器结构地面试验验证。针对采用石英灯辐射方式加热的C/SiC复合材料舵结构热试验,建立了辐射加热动态控制过程模拟方法,基于热网络法和蒙特卡罗法获得了结构瞬态温度场分布,通过与试验数据的对比分析,验证了方法的可行性

  18. Potential Energy Surfaces for Reactions of X Metal Atoms (X = Cu, Zn, Cd, Ga, Al, Au, or Hg with YH4 Molecules (Y = C, Si, or Ge and Transition Probabilities at Avoided Crossings in Some Cases

    Directory of Open Access Journals (Sweden)

    Octavio Novaro

    2012-01-01

    Full Text Available We review ab initio studies based on quantum mechanics on the most important mechanisms of reaction leading to the C–H, Si–H, and Ge–H bond breaking of methane, silane, and germane, respectively, by a metal atom in the lowest states in Cs symmetry: X(2nd excited state, 1st excited state and ground state + YH4→ H3XYH → H + XYH3 and XH + YH3. with X = Au, Zn, Cd, Hg, Al, and G, and Y = C, Si, and Ge. Important issues considered here are (a the role that the occupation of the d-, s-, or p-shells of the metal atom plays in the interactions with a methane or silane or germane molecule, (b the role of either singlet or doublet excited states of metals on the reaction barriers, and (c the role of transition probabilities for different families of reacting metals with these gases, using the H–X–Y angle as a reaction coordinate. The breaking of the Y–H bond of YH4 is useful in the production of amorphous hydrogenated films, necessary in several fields of industry.

  19. Association of poly(ADP-ribose) polymerase with the nuclear matrix: the role of intermolecular disulfide bond formation, RNA retention, and cell type.

    Science.gov (United States)

    Kaufmann, S H; Brunet, G; Talbot, B; Lamarr, D; Dumas, C; Shaper, J H; Poirier, G

    1991-02-01

    The recovery of the enzyme poly(ADP-ribose) polymerase (pADPRp) in the nuclease- and 1.6 M NaCl-resistant nuclear subfraction prepared from a number of different sources was assessed by Western blotting. When rat liver nuclei were treated with DNase I and RNase A followed by 1.6 M NaCl, approximately 10% of the nuclear pADPRp was recovered in the sedimentable fraction. The proportion of pADPRp recovered with the residual fraction decreased to less than 5% of the total nuclear polymerase when nuclei were prepared in the presence of the sulfhydryl blocking reagent iodoacetamide and increased to approximately 50% of the total nuclear pADPRp when nuclei were treated with the sulfhydryl cross-linking reagent sodium tetrathionate (NaTT) prior to fractionation. To determine whether this effect of disulfide bond formation was unique to rat liver nuclei, nuclear matrix/cytoskeleton structures were prepared in situ by sequentially treating monolayers of tissue culture cells with Nonidet-P40, DNase I and RNase A, and 1.6 M NaCl (S.H. Kaufmann and J.H. Shaper (1991) Exp. Cell Res. 192, 511-523). When nuclear monolayers were prepared from HTC rat hepatoma cells, CaLu-1 human lung carcinoma cells, and CHO hamster ovary cells in the absence of NaTT, pADPRp was undetectable in the nuclease- and 1.6 M NaCl-resistant fraction. In contrast, when nuclear monolayers were isolated in the presence of NaTT, from 5% (CaLu-1) to 26% (HTC cells) of the total nuclear pADPRp was recovered with the nuclease- and salt-resistant fraction. Examination of these residual structures by SDS-polyacrylamide gel electrophoresis under nonreducing conditions suggested that pADPRp was present as a component of disulfide cross-linked complexes. Further analysis by immunofluorescence revealed that the pADPRp was diffusely distributed throughout the CaLu-1 or CHO nuclear matrix. In addition, when matrices were prepared in the absence of RNase A, pADPRp was also observed in the residual nucleoli. These

  20. Bond Boom

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    The Ministry of Finance recently kick-started a pilot program allowing local governments of Shanghai and Shenzhen,and Zhejiang and Guangdong provinces to issue bonds for the first time.How will the new policy affect fiscal capacities of local governments and the broader economy? What else should the country do to build a healthy bond market? Economists and experts discussed these issues in an interview with the Shanghai Securities Journal.Edited excerpts follow.

  1. Bond Boom

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    The Ministry of Finance recently kick-started a pilot program allowing local governments of Shanghai and Shenzhen, and Zhejiang and Guangdong provinces to issue bonds for the first time. How will the new policy affect fiscal capacities of local governments and the broader economy? What else should the country do to build a healthy bond market? Economists and experts discussed these issues in an interview with the ShanghaiSecuritiesJournal. Edited excerpts follow:

  2. Effects of bainitic transformation temperature on microstructure and tensile properties of 0.6C-Si-Mn steel; 0.6C-Si-Mn ko no bisai soshiki to hippari tokusei ni oyobosu benaito hentai ondo no eikyo

    Energy Technology Data Exchange (ETDEWEB)

    Tomita, Y. [University of Osaka Prefecture, Osaka (Japan). Faculty of Engineering

    1995-06-15

    To acquire excellent mechanical properties of Si-Mn steel by using an austempering treatment to have the steel undergo a bainitic transformation, it is important to identify the effect of its transformation temperature. This paper describes a transformation of 0.6% C-Si-Mn steel at temperatures ranging from 593 K to 673 K, and discussions on the effect of the transformation temperature on the microstructure and tensile properties. The following results were obtained: bainitic ferrite containing very little carbon is produced in layers at any transformation temperature, but a trend was shown that the bainitic ferrite is produced with its width grown larger and denser as the transformation temperature rises; the {gamma}R amount increases remarkably with increasing transformation temperature, and at the same time massive {gamma}R begins to remain in addition to thin film {gamma}R that exists between individual bainitic ferrites; and the result of this experiment revealed that when the transformation temperature is sufficiently high, the fracture elongation increases notably because of the transformation induced plasticity (TRIP) effect of the {gamma}R that occurs effectively during the transformation. 12 refs., 7 figs., 4 tabs.

  3. 碳布铺层方式对C/C-SiC薄壁喉衬性能的影响%Effect of Carbon Cloth Spreading Means on Performance of C/C-SiC Thin-Wall Throat

    Institute of Scientific and Technical Information of China (English)

    王玲玲; 嵇阿琳; 纪伶伶; 闫联生; 韩明

    2014-01-01

    通过CVI+PIP制备了准三维针刺C/C-SiC薄壁喉衬,预制体碳布铺层方式分别采用与喉衬内型面形状相同的仿形铺层以及与喉衬入口端角度相同30°铺层.研究了两种铺层方式对最终构件层间弯曲性能、整体承压性能以及抗烧蚀抗冲刷的影响.结果表明,构件的弯曲强度分别为205和152 MPa;水压爆破压力分别为6.5和4.9 MPa.用与材料表面夹角为30°的氧乙炔气流考查材料的抗烧蚀及冲刷性能,同角度铺层成型材料抗冲刷能力明显较好,200 s其线烧蚀率为仿形铺层成型材料的70%.

  4. Effect of Cooling Method on Microstructure and Mechanical Properties of Hot-Rolled C-Si-Mn TRIP Steel%Effect of Cooling Method on Microstructure and Mechanical Properties of Hot-Rolled C-Si-Mn TRIP Steel

    Institute of Scientific and Technical Information of China (English)

    LIU Ji-yuan; ZHANG Zi-cheng; ZHU Fu-xian; LI Yan-mei; Manabe Ken-ichi

    2012-01-01

    The controlled cooling technology following hot rolling process is a vital factor that affects the final micro- structure and mechanical properties of the hot-rolled transformation induced plasticity (TRIP) steels. In the present study, low alloy C-Si-Mn TRIP steel was successfully fabricated by hot rolling process with a 4450 hot roiling mill. To maximize the volume fraction and stability of retained austenite of the steel, two different cooling methods (aircooling and ultra-fast cooling "AC-UFC" and ultrmfast cooling, air cooling and ultra-fast cooling "UFC-AC-UFC") were conducted. The effects of the cooling method on the microstructure of hot-rolled TRIP steel were investigated via optical microscope, transmission electron microscope and conversion electron Mossbauer spectroscope. The mechanical properties of the steel were also evaluated by conventional tensile test. The results indicated that ferrite and bainite in the microstructure were refined with the cooling method of UFC-AC-UFC. The morphology of retained austenite was also changed from small islands distributing in bainite district (obtained with AC-UFC) to granular shape locating at the triple junction of the ferrite grain boundaries (obtained with UFC-AC-UFC). As a result, the TRIP steel with a content of retained austenite of 11. 52%, total elongation of 32% and product of tensile strength and total elongation of 27 552 MPa·% was obtained.

  5. Simulation of a-Si(p)/c-Si(n) heterojunction solar cells with AFORS-HET%a-Si(p)/c-Si(n)异质结太阳电池的AFORS-HET模拟优化

    Institute of Scientific and Technical Information of China (English)

    卢超; 丁建宁; 程广贵; 郭立强; 林爱国

    2013-01-01

    采用限定变量的方法,运用AFORS-HET(Automat FOR Simulation of HETerostructures)软件计算模拟了不同厚度、掺杂浓度和禁带宽度的非晶硅薄膜背场以及不同厚度、禁带宽度的非晶硅本征层对a-Si(p)/c-Si(n)异质结太阳电池的影响.结果表明,在其它参数不变的情况下,增加较薄的背场和中间本征层,可以提高太阳电池的整体性能,其光电转换有很大程度提高,其最高转换效率可达20.75%;其中,中间本征层在厚度不超过20 nm时,对电池的短路电流影响不大,而其它性能则相对下降;当非晶硅薄膜背场的掺杂浓度为1019 cm-3以上,带隙为1.7 eV,厚度为5 nm时,电池性能最佳.

  6. Time and dose-dependent deformation of SiC/SiC composites With off-axis fiber alignment

    Energy Technology Data Exchange (ETDEWEB)

    Henager, C.H. [Pacific Northwest National Laboratory, Richland WA (United States)

    2007-07-01

    Full text of publication follows: The use of SiC-reinforced composites for fusion reactors or other nuclear applications will not be restricted to 0/90 aligned fiber architecture in all cases. It is important to understand the role of fiber orientation in the strength, toughness, and time-dependent properties for such materials. The use of high-strength ceramic fibers for composites is predicated on optimizing the strength, fracture resistance, and retained strength in aggressive environments, which argues for the best use of fiber strengths, namely on-axis loading for full load transfer to the high-strength fibers. Relatively few researchers have systematically studied the effects of fiber orientation on composite properties, and none have, to the best of our knowledge, performed any time-dependent testing of composites with off-axis fiber orientations. We have performed mechanical property tests on Hi-Nicalon Type-S fiber SiC/SiC composites as a function of fiber orientation. The mechanical testing consisted of 4- point bend strength, 4-point single-edge notched bend fracture toughness, and 4-point bend slow crack growth testing on two composite architectures from ambient to 1600 deg. C (1873 K). The two composite materials that were tested included a {+-}55 deg.-braided-weave composite with Type-S fibers inclined at 55 deg. to the principal composite axes to simulate a tubular-weave architecture and a Type-S 0/90 satin-weave composite as a reference material. A time-dependent fiber-bridging model that accounts for fiber orientation has been developed and its predictions are compared to the strength and crack growth data. The level of agreement suggests that existing models of off-axis bridging fibers are adequate for fusion reactor designs using SiC/SiC composites in off-axis orientations. However, the strength data suggests that off-axis orientations are much weaker than aligned fiber orientations and, thus, care must be taken to ensure that some fraction of

  7. Crystal Structure of the 5-Chloro Salicylamides: Three Different Types of the H-bonding Influenced Linear Chain Formation in the Solid State

    Directory of Open Access Journals (Sweden)

    Jiří Hanusek

    2012-05-01

    Full Text Available Three N-substituted 5-chlorosalicylamides (4-chlorophenyl, 2a; benzyl, 2b; phenethyl 2c differing in the length of the 'linker' between the benzene ring and the amide moiety were prepared in order to compare their supramolecular architecture. The intramolecular NH···O(H hydrogen bond and the intermolecular C=O···H–O hydrogen bond were found in the crystal structure of 2a and 2c thus forming an infinite linear chain. Compound 2b had a different arrangement with the intramolecular C=O···H–O hydrogen bond and another intermolecular NH···O(H hydrogen forming a linear infinite chain.

  8. SOCIAL BONDING: REGULATION BY NEUROPEPTIDES

    Directory of Open Access Journals (Sweden)

    Claudia eLieberwirth

    2014-06-01

    Full Text Available Affiliative social relationships (e.g., among spouses, family members, and friends play an essential role in human society. These relationships affect psychological, physiological, and behavioral functions. As positive and enduring bonds are critical for the overall well-being of humans, it is not surprising that considerable effort has been made to study the neurobiological mechanisms that underlie social bonding behaviors. The present review details the involvement of the nonapeptides, oxytocin (OT and arginine vasopressin (AVP, in the regulation of social bonding in mammals including humans. In particular, we will discuss the role of OT and AVP in the formation of social bonds between partners of a mating pair as well as between parents and their offspring. Furthermore, the role of OT and AVP in the formation of interpersonal bonding involving trust is also discussed.

  9. Spin-orbit corrections to the indirect nuclear spin-spin coupling constants in XH4 (X=C, Si, Ge, and Sn)

    DEFF Research Database (Denmark)

    Kirpekar, Sheela; Jensen, Hans Jørgen Aagaard; Oddershede, Jens

    1997-01-01

    Using the quadratic response function at the ab initio SCF level of approximation we have calculated the relativistic corrections from the spin-orbit Hamiltonian, HSO, to the indirect nuclear spin-spin coupling constants of XH4 (X = C, Si, Ge, and Sn). We find that the spin-orbit contributions to...

  10. In-situ determination of the effective absorbance of thin μc-Si:H layers growing on rough ZnO:Al

    Directory of Open Access Journals (Sweden)

    Meier Matthias

    2013-10-01

    Full Text Available In this study optical transmission measurements were performed in-situ during the growth of microcrystalline silicon (μc-Si:H layers by plasma enhanced chemical vapor deposition (PECVD. The stable plasma emission was used as light source. The effective absorption coefficient of the thin μc-Si:H layers which were deposited on rough transparent conductive oxide (TCO surfaces was calculated from the transient transmission signal. It was observed that by increasing the surface roughness of the TCO, the effective absorption coefficient increases which can be correlated to the increased light scattering effect and thus the enhanced light paths inside the silicon. A correlation between the in-situ determined effective absorbance of the μc-Si:H absorber layer and the short-circuit current density of μc-Si:H thin-film silicon solar cells was found. Hence, an attractive technique is demonstrated to study, on the one hand, the absorbance and the light trapping in thin films depending on the roughness of the substrate and, on the other hand, to estimate the short-circuit current density of thin-film solar cells in-situ, which makes the method interesting as a process control tool.

  11. Boron-doped hydrogenated microcrystalline silicon oxide (μc-SiOx:H) for application in thin-film silicon solar cells

    NARCIS (Netherlands)

    Lambertz, A.; Finger, F.; Holländer, B.; Rath, J.K.; Schropp, R.E.I.

    2011-01-01

    We report on the development of p-type μc-SiOx:H material, in particular the relationship between the deposition parameters and the material properties like band gap, electrical conductivity, and crystalline volume fraction. The material was deposited from gas mixtures of silane, carbon dioxide and

  12. Novel Fe@C-TiO2 and Fe@C-SiO2 water-dispersible magnetic nanocomposites

    Science.gov (United States)

    Fleaca, Claudiu Teodor; Dumitrache, Florian; Morjan, Ion; Alexandrescu, Rodica; Luculescu, Catalin; Niculescu, Ana; Vasile, Eugeniu; Kuncser, Victor

    2013-08-01

    We report the synthesis of novel nanocomposites based on Fe@C nanoparticles obtained from Fe(CO)5 and C2H4/H2 by laser pyrolysis technique using a three nozzles injector. The αFe-FexCy@C particles (below 24 nm diameter) were first functionalized with hydrophilic groups using Na carboxymethylcellulose. Oxidic precursors (Si(OC2H5)4 or Ti(OC2H5)4) dissolved in ethanol were mixed with ethanolic suspensions of hydrophilized Fe@C nanoparticles using strong ultrasonication, then with water (at different pH values) and finally the Fe-containing composites were recovered by magnetic separation. The SiO2 and TiO2-coated powders were characterized by XRD, FT-IR and TEM techniques and their magnetic hysteresis curves were recorded at different temperatures. Both composites contain submicron aggregates of Fe@C nanoparticles embedded in/surrounded by a disordered porous oxidic matrix/shell. Near superparamagnetic behavior and room temperature and 26 A m2/kg (for Fe@C/SiO2) or 57 A m2/kg (for Fe@C/TiO2) saturation magnetization values were recorded and a blocking temperature around 500 K was extrapolated.

  13. Development of ASTM Standard for SiC-SiC Joint Testing Final Scientific/Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Jacobsen, George [General Atomics, San Diego, CA (United States); Back, Christina [General Atomics, San Diego, CA (United States)

    2015-10-30

    As the nuclear industry moves to advanced ceramic based materials for cladding and core structural materials for a variety of advanced reactors, new standards and test methods are required for material development and licensing purposes. For example, General Atomics (GA) is actively developing silicon carbide (SiC) based composite cladding (SiC-SiC) for its Energy Multiplier Module (EM2), a high efficiency gas cooled fast reactor. Through DOE funding via the advanced reactor concept program, GA developed a new test method for the nominal joint strength of an endplug sealed to advanced ceramic tubes, Fig. 1-1, at ambient and elevated temperatures called the endplug pushout (EPPO) test. This test utilizes widely available universal mechanical testers coupled with clam shell heaters, and specimen size is relatively small, making it a viable post irradiation test method. The culmination of this effort was a draft of an ASTM test standard that will be submitted for approval to the ASTM C28 ceramic committee. Once the standard has been vetted by the ceramics test community, an industry wide standard methodology to test joined tubular ceramic components will be available for the entire nuclear materials community.

  14. Kinetics and mechanisms of oxidation of 2D woven C/SiC composites; 1: Experimental approach

    Energy Technology Data Exchange (ETDEWEB)

    Lamouroux, F.; Camus, G. (UMR 47, Pessac (France). Lab. des Composites Thermostructuraux); Thebault, J. (Societe Europeenne de Propulsion, Saint Medard-en-Jalles (France))

    1994-08-01

    The oxidation behavior of a 2D woven C/SiC composite partly protected with a SiC seal coating and heat-treated (stabilized) at 1,600 C in inert gas has been investigated through an experimental approach based on thermogravimetric analyses and optical/electron microscopy. Results of the tests, performed under flowing oxygen, have shown that the oxidation behavior of the composite material in terms of oxidation kinetics and morphological evolutions is related to the presence of thermal microcracks in the seal coating as well as in the matrix. Three different temperature domains exist. At low temperatures (< 800 C), the mechanisms of reaction between carbon and oxygen control the oxidation kinetics and are associated with a uniform degradation of the carbon reinforcement. At intermediate temperatures, (between 800 and 1,100 C), the oxidation kinetics are controlled by the gas-phase diffusion through a network of microcracks in the SiC coatings, resulting in a nonuniform degradation of the carbon phases. At high temperatures (> 1,100 C), such diffusion mechanisms are limited by sealing of the microcracks by silica; therefore, the degradation of the composite remains superficial. The study of the oxidation behavior of (i) the heat-treated composite in a lower oxygen content environment (dry air) and (ii) the as-processed (unstabilized) composite in dry oxygen confirms the different mechanisms proposed to explain the oxidation behavior of the composite material.

  15. Damage characteristics and constitutive modeling of the 2D C/SiC composite: Part I – Experiment and analysis

    Directory of Open Access Journals (Sweden)

    Li Jun

    2014-12-01

    Full Text Available This paper reports an experimental investigation on the macroscopic mechanical behaviors and damage mechanisms of the plain-woven (2D C/SiC composite under in-plane on- and off-axis loading conditions. Specimens with 15°, 30°, and 45° off-axis angles were prepared and tested under monotonic and incremental cyclic tension and compression loads. The obtained results were compared with those of uniaxial tension, compression, and shear specimens. The relationships between the damage modes and the stress state were analyzed based on scanning electronic microscopy (SEM observations and acoustic emission (AE data. The test results reveal the remarkable axial anisotropy and unilateral behavior of the material. The off-axis tension test results show that the material is fiber-dominant and the evolution rate of damage and inelastic strain is accelerated under the corresponding combined biaxial tension and shear loads. Due to the damage impediment effect of compression stress, compression specimens show higher mechanical properties and lower damage evolution rates than tension specimens with the same off-axis angle. Under cyclic tension–compression loadings, both on-axis and off-axis specimens exhibit progressive damage deactivation behaviors in the compression range, but with different deactivation rates.

  16. Time-dependent bridging and life prediction of SiC/SiC in a hypothetical fusion environment

    Energy Technology Data Exchange (ETDEWEB)

    Henager, C.H. Jr.; Lewinsohn, C.A.; Windisch, C.F. Jr.; Jones, R.H. [Pacific Northwest National Lab., Richland, WA (United States)

    1996-10-01

    Growth of subcritical cracks in SiC/SiC composites of CG-Nicalon fibers with a {approximately}1 {mu}m C-interphase has been measured on a related Basic Energy Sciences program using environments of purified argon and mixtures of argon and oxygen at 1073K to 1373K. Companion thermo-gravimetric (TGA) testing measured mass loss in identical environments. The TGA mass loss was from C-interphase oxidation to CO and CO{sub 2}, which was undetectable in argon and linear with oxygen concentration in argon-oxygen mixtures, and was converted into an interphase linear recession rate. Crack growth in pure argon indicated that fiber creep was causing time-dependent crack bridging to occur, while crack growth in argon-oxygen mixtures indicated that time-dependent C-interphase recession was also causing time-dependent bridging with different kinetics. A model of time-dependent bridging was used to compute crack growth rates in argon and in argon-oxygen mixtures and gave an estimate of useable life of about 230 days at 1073K in a He + 1.01 Pa O{sub 2} (10 ppm) environment.

  17. Effect of TCO/μc-Si:H Interface Modification on Hydrogenated Microcrystalline Silicon Thin-Film Solar Cells

    Directory of Open Access Journals (Sweden)

    Shin-Wei Liang

    2013-01-01

    Full Text Available The effects of H2 plasma exposure on optical, electrical, and structural properties of fluorine-doped tin oxide (FTO and AZO/FTO substrates have been investigated. With increasing the time of H2-plasma exposure, the hydrogen radical and ions penetrated through the FTO surface to form more suboxides such as SnO and metallic Sn, which was confirmed by the XPS analysis. The Sn reduction on the FTO surface can be effectively eliminated by capping the FTO with a very thin layer of sputtered aluminum-doped zinc oxide (AZO, as confirmed by the XPS analysis. By using the AZO/FTO as front TCO with the subsequent annealing, the p-i-n μc-Si:H cell exhibited a significantly enhanced JSC from 15.97 to 19.40 mA/cm2 and an increased conversion efficiency from 5.69% to 7.09%. This significant enhancement was ascribed to the effective elimination of the Sn reduction on the FTO surface by the thin AZO layer during the Si-based thin-film deposition with hydrogen-rich plasma exposure. Moreover, the subsequent annealing of the sputtered AZO could lead to less defects as well as a better interface of AZO/FTO.

  18. Surface passivation and optical characterization of Al2O3/a-SiCx stacks on c-Si substrates

    Directory of Open Access Journals (Sweden)

    Gema López

    2013-11-01

    Full Text Available The aim of this work is to study the surface passivation of aluminum oxide/amorphous silicon carbide (Al2O3/a-SiCx stacks on both p-type and n-type crystalline silicon (c-Si substrates as well as the optical characterization of these stacks. Al2O3 films of different thicknesses were deposited by thermal atomic layer deposition (ALD at 200 °C and were complemented with a layer of a-SiCx deposited by plasma-enhanced chemical vapor deposition (PECVD to form anti-reflection coating (ARC stacks with a total thickness of 75 nm. A comparative study has been carried out on polished and randomly textured wafers. We have experimentally determined the optimum thickness of the stack for photovoltaic applications by minimizing the reflection losses over a wide wavelength range (300–1200 nm without compromising the outstanding passivation properties of the Al2O3 films. The upper limit of the surface recombination velocity (Seff,max was evaluated at a carrier injection level corresponding to 1-sun illumination, which led to values below 10 cm/s. Reflectance values below 2% were measured on textured samples over the wavelength range of 450–1000 nm.

  19. Cooperative effects between tetrel bond and other σ-hole bond interactions: a comparative investigation

    Science.gov (United States)

    Esrafili, Mehdi D.; Nurazar, Roghaye; Mohammadian-Sabet, Fariba

    2015-12-01

    Covalently bonded atoms of Groups IV-VII tend to have anisotropic charge distributions, the electronic densities being less on the extensions of the bonds (σ-holes) than in the intervening regions. These σ-holes often give rise to positive electrostatic potentials through which the atom can interact attractively and highly directionally with negative sites. In this work, cooperative effects between tetrel bond and halogen/chalcogen/pnicogen bond interactions are studied in multi-component YH3M...NCX...NH3 complexes, where Y = F, CN; M = C, Si and X = Cl, SH and PH2. These effects are analysed in detail in terms of the structural, energetic, charge-transfer and electron density properties of the complexes. The nature of the σ-hole bonds is unveiled by quantum theory of atoms in molecules and natural bond orbital theory. A favourable cooperativity is found with values that range between -0.34 and -1.15 kcal/mol. Many-body decomposition of interaction energies indicate that two-body energy term is the most important source of the attraction, which its contribution accounts for 87%-96% of the total interaction energy.

  20. Isopeptide bonds of the major pilin protein BcpA influence pilus structure and bundle formation on the surface of Bacillus cereus

    Energy Technology Data Exchange (ETDEWEB)

    Hendrickx, Antoni P.A.; Poor, Catherine B.; Jureller, Justin E.; Budzik, Jonathan M.; He, Chuan; Schneewind, Olaf (UC)

    2012-09-05

    Bacillus cereus strains elaborate pili on their surface using a mechanism of sortase-mediated cross-linking of major and minor pilus components. Here we used a combination of electron microscopy and atomic force microscopy to visualize these structures. Pili occur as single, double or higher order assemblies of filaments formed from monomers of the major pilin, BcpA, capped by the minor pilin, BcpB. Previous studies demonstrated that within assembled pili, four domains of BcpA -- CNA{sub 1}, CNA{sub 2}, XNA and CNA{sub 3} -- each acquire intramolecular lysine-asparagine isopeptide bonds formed via catalytic glutamic acid or aspartic acid residues. Here we showed that mutants unable to form the intramolecular isopeptide bonds in the CNA2 or CNA3 domains retain the ability to form pilus bundles. A mutant lacking the CNA{sub 1} isopeptide bond assembled deformed pilin subunits that failed to associate as bundles. X-ray crystallography revealed that the BcpA variant Asp{sup 312}Ala, lacking an aspartyl catalyst, did not generate the isopeptide bond within the jelly-roll structure of XNA. The Asp{sup 312}Ala mutant was also unable to form bundles and promoted the assembly of deformed pili. Thus, structural integrity of the CNA{sub 1} and XNA domains are determinants for the association of pili into higher order bundle structures and determine native pilus structure.

  1. Solvent effects on the formation of nanoparticles and multilayered coatings based on hydrogen-bonded interpolymer complexes of poly(acrylic acid) with homo- and copolymers of N-vinyl pyrrolidone.

    Science.gov (United States)

    Zhunuspayev, Daulet E; Mun, Grigoriy A; Hole, Patrick; Khutoryanskiy, Vitaliy V

    2008-12-02

    The formation of hydrogen-bonded interpolymer complexes between poly(acrylic acid) and poly(N-vinyl pyrrolidone) as well as amphiphilic copolymers of N-vinyl pyrrolidone with vinyl propyl ether has been studied in aqueous and organic solutions. It was demonstrated that introduction of vinyl propyl ether units into the macromolecules of the nonionic polymer enhances their ability to form complexes in aqueous solutions due to more significant contribution of hydrophobic effects. The complexation was found to be a multistage process that involves the formation of primary polycomplex particles, which further aggregate to form spherical nanoparticles. Depending on the environmental factors (pH, solvent nature), these nanoparticles may either form stable colloidal solutions or undergo further aggregation, resulting in precipitation of interpolymer complexes. In organic solvents, the intensity of complex formation increases in the following order: methanol complexes on glass surfaces. It was demonstrated that the solvent nature affects the efficiency of coating deposition.

  2. Unravelling the secrets of Cs controlled secondary ion formation: Evidence of the dominance of site specific surface chemistry, alloying and ionic bonding

    Science.gov (United States)

    Wittmaack, Klaus

    2013-03-01

    implantation can be evaluated as a function of Cs coverage. The summarised results imply that secondary ions are commonly not formed by charge transfer between an escaping atom and the electronic system of the sample but are already emitted as ions. The probability of ion formation appears to be controlled by the local ionic character of the alkali-target atom bonds, i.e., by the difference in electronegativity between the involved elements as well as by the electron affinity and the ionisation potential of the departing atom. This idea is supported by the finding that Si- yields exhibit the same very strong dependence on Cs coverage as Si+ and O- yields on the oxygen fraction in oxygen loaded Si. Most challenging to theoreticians is the finding that the ionisation probability is independent of the emission velocity of sputtered ions. This phenomenon cannot be rationalised along established routes of thinking. Different concepts need to be explored. An old, somewhat exotic idea takes account of the heavy perturbation created for a very short period of time at the site of ion emission (dynamic randomisation). Molecular dynamics simulations are desirable to clarify the issue. Ultimately it may be possible to describe all phenomena of enhanced or suppressed secondary ion formation, produced either by surface loading with alkali atoms or by enforced surface oxidation, on the basis of a single universal model. There is plenty of room for exciting new studies.

  3. Crystal Structure, Thermal Decomposition Behavior and the Standard Molar Enthalpy of Formation of a Novel 3D Hydrogen Bonded Supramolecular [Co(HnicO)2·(H2O)2

    Institute of Scientific and Technical Information of China (English)

    ZENG,Ming-Hua; WU,Mei-Chun; ZHU,Li-Hong; LIANG,Hong; YANG Xu-Wu

    2007-01-01

    Hydrothermal synthesis and X-ray characterized 3D supramolecular networks were constructed by [Co(HnicO)2·(H2O)2] (HnicOH=2-hydroxynicotinic acid) (1) as building block via abundant dimeric homomeric (N-H…O) and unusually cyclic tetrameric heteromeric (O-H…O) hydrogen-bonds. It is noted that there exist unusually linear metal-water chains comprised of tetrameric units linked by vertexes sharing cobalt centers through hydrogen-bonding. TG-DTG curves illustrated that thermal decomposition was completed by two steps, one is the loss of two terminal water molecules in the range of 156-234 ℃, and the other is the pyrolysis of HnicO ligand in the range of 234-730 ℃. The standard molar enthalpy of formation of the complex was determined to be (-1845.43±2.77) kJ·mol-1 by a rotary-bomb combustion calorimeter.

  4. Investigation on the Behaviours of TiB2 Reinforced B4C-SiC Composites Against Co-60 Gamma Radioisotope Source

    Directory of Open Access Journals (Sweden)

    Bülent Büyük

    2015-02-01

    Full Text Available In the present study, the gamma attenuation behaviours of the Titanium diboride (TiB2 reinforced boron carbide (B4C-silicon carbide (SiC composite materials were investigated against Co-60 gamma radioisotope source. In the experiments TiB2 unreinforced and 2% and 4% TiB2 (by volume reinforced B4C-SiC composite materials were used. In the composite materials B4C/SiC ratio has been realized as 6/4 by volume. The linear and mass attenuation coefficients of the samples were carried out for Co60 gamma radioisotope source which has two energy peaks (1.17 and 1.33 MeV. Then mass attenuation coefficients and half-value thicknesses (HVT of the materials were calculated. Experimental mass attenuation coefficients were compared with the theoretical values which were calculated from XCOM computer code. Furthermore HVTs of the samples were evaluated and compared each other. It has been seen that the experimental and theoretical mass attenuation coefficients are closed to each other and differences are under 10 percent. In addition, TiB2 reinforced B4C-SiC composites have smaller HVTs than unreinforced one. Moreover 4% TiB2 reinforced B4C-SiC composite has smaller HVT than the 2% reinforced sample. Reinforcing TiB2 and increasing TiB2 ratio increase the gamma attenuation property of the B4C-SiC composites against Co-60 gamma radioisotope source.

  5. The thermodynamics and kinetics of phosphoester bond formation, use, and dissociation in biology, with the example of polyphosphate in platelet activation, trasience, and mineralization.

    Science.gov (United States)

    Omelon, S. J.

    2014-12-01

    Mitochondria condense orthophosphates (Pi), forming phosphoester bonds for ATP production that is important to life. This represents an exchange of energy from dissociated carbohydrate bonds to phosophoester bonds. These bonds are available to phosphorylate organic compounds or hydrolyze to Pi, driving many biochemical processes. The benthic bacteria T. namibiensis 1 and Beggiatoa 2 condense Pi into phosphate polymers in oxygenated environments. These polyphosphates (polyPs) are stored until the environment becomes anoxic, when these bacteria retrieve the energy from polyP dissociation into Pi3. Dissociated Pi is released outside of the bacteria, where it precipitates as apatite.The Gibbs free energy of polyP phosphoester bond hydrolysis is negative, however, the kinetics are slow4. Diatoms contain a polyP pool that is stable until after death, after which the polyPs hydrolyze and form apatite5. The roles of polyP in eukaryotic organism biochemistry continue to be discovered. PolyPs have a range of biochemical roles, such as bioavailable P-storage, stress adaptation, and blood clotting6. PolyP-containing granules are released from anuclear platelets to activate factor V7 and factor XII in the blood clotting process due to their polyanionic charge8. Platelets have a lifespan of approximately 8 days, after which they undergo apoptosis9. Data will be presented that demonstrate the bioactive, thermodynamically unstable polyP pool within older platelets in vitro can spontaneously hydrolyze and form phosphate minerals. This process is likely avoided by platelet digestion in the spleen and liver, possibly recycling platelet polyPs with their phosphoester bond energy for other biochemical roles. 1 Schulz HN et al. Science (2005) 307: 416-4182 Brüchert V et al. Geochim Cosmochim Acta (2003) 67: 4505-45183 Goldhammer T et al. Nat Geosci (2010) 3: 557-5614 de Jager H-J et al. J Phys Chem A (1988) 102: 2838-28415 Diaz, J et al. Science (2008) 320: 652-6556 Mason KD et al

  6. Growing GaN LEDs on amorphous SiC buffer with variable C/Si compositions.

    Science.gov (United States)

    Cheng, Chih-Hsien; Tzou, An-Jye; Chang, Jung-Hung; Chi, Yu-Chieh; Lin, Yung-Hsiang; Shih, Min-Hsiung; Lee, Chao-Kuei; Wu, Chih-I; Kuo, Hao-Chung; Chang, Chun-Yen; Lin, Gong-Ru

    2016-01-22

    The epitaxy of high-power gallium nitride (GaN) light-emitting diode (LED) on amorphous silicon carbide (a-SixC(1-x)) buffer is demonstrated. The a-SixC(1-x) buffers with different nonstoichiometric C/Si composition ratios are synthesized on SiO2/Si substrate by using a low-temperature plasma enhanced chemical vapor deposition. The GaN LEDs on different SixC(1-x) buffers exhibit different EL and C-V characteristics because of the extended strain induced interfacial defects. The EL power decays when increasing the Si content of SixC(1-x) buffer. The C-rich SixC(1-x) favors the GaN epitaxy and enables the strain relaxation to suppress the probability of Auger recombination. When the SixC(1-x) buffer changes from Si-rich to C-rich condition, the EL peak wavelengh shifts from 446 nm to 450 nm. Moreover, the uniform distribution contour of EL intensity spreads between the anode and the cathode because the traping density of the interfacial defect gradually reduces. In comparison with the GaN LED grown on Si-rich SixC(1-x) buffer, the device deposited on C-rich SixC(1-x) buffer shows a lower turn-on voltage, a higher output power, an external quantum efficiency, and an efficiency droop of 2.48 V, 106 mW, 42.3%, and 7%, respectively.

  7. M3FT-16OR020202112 - Report on viability of hydrothermal corrosion resistant SiC/SiC Joint development

    Energy Technology Data Exchange (ETDEWEB)

    Katoh, Yutai [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Koyanagi, Takaaki [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Kiggans Jr, James O. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Terrani, Kurt A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-06-30

    Hydrothermal corrosion of four types of the silicon carbide (SiC) to SiC plate joints were investigated under PWR and BWR relevant chemical conditions without irradiation. The joints were formed by metal diffusion bonding using molybdenum or titanium interlayer, reaction sintering using Ti-Si-C system, and SiC nanopowder sintering. Most of the formed joints withstood the corrosion tests for five weeks. The recession of the SiC substrates was limited. Based on the recession rate of the bonding layers, it was concluded that all the joints except for the molybdenum diffusion bond are promising under the reducing activity environments. The SiC nanopowder sintered joint was the most corrosion tolerant under the oxidizing activity environment among the four joints.

  8. An in situ XPS study of growth of ITO on amorphous hydrogenated Si: Initial stages of heterojunction formation upon processing of ITO/a-Si:H based solar cell structures

    Energy Technology Data Exchange (ETDEWEB)

    Diplas, Spyros; Thoegersen, Annett; Ulyashin, Alexander [SINTEF Materials and Chemistry, Oslo (Norway); Romanyuk, Andriy [University of Basel, Basel (Switzerland)

    2015-01-01

    In this work we studied the interface growth upon deposition of indium-tin oxide (ITO) on amorphous hydrogenated Si (a-Si:H)/crystalline Si (c-Si) structures. The analysis methods used were X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS) in combination with in situ film growth with magnetron sputtering. The analysis was complemented with transmission electron microscopy (TEM) of the deposited films. The sputtering equipment was attached to the XPS spectrometer and hence early stage film growth was observed without breaking the vacuum. It was shown that during early deposition stages ITO is reduced by a-Si:H. The reduction is accompanied with formation of metallic In and Sn at the interface. Formation of Sn is more enhanced on a-Si substrates whilst formation of In is more dominant on c-Si substrates. The reduction effect is less intense for amorphous hydrogenated Si as compared to crystalline Si and this is attributed to stronger presence of dangling bonds in the latter than the former. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. Improvement of μc-Si:H n–i–p cell efficiency with an i-layer made by hot-wire CVD by reverse H2-profiling

    NARCIS (Netherlands)

    Li, H. B. T.; Franken, R.H.; Stolk, R.L.; van der Werf, C.H.M.; Rath, J.K.; Schropp, R.E.I.

    2008-01-01

    The technique of maintaining a proper crystalline ratio in microcrystalline silicon (μc-Si:H) layers along the thickness direction by decreasing the H2 dilution ratio during deposition (H2 profiling) was introduced by several laboratories while optimizing either n–i–p or p–i–n μc-Si:H cells made by

  10. Thermodynamic Analysis of a New CVD Process for Preparation of Nano-sized SiC/Si3N4 Composite Powder%一种用于制备纳米SiC/Si3N4复合粉体的CVD新工艺的热力学分析

    Institute of Scientific and Technical Information of China (English)

    全学军

    2000-01-01

    综述了SiC/Si3N4复合粉体的力学性能和制备方法,提出了一种制备纳米级SiC/Si3N4复合粉体的新方法,并通过热力学分析提出了合成条件.%The mechanical properties and synthesis methods of silicon carbide and silicon nitride composite powders are reviewed.A new idea is put forward for the preparation of nano-sized SiC/Si3N4 composite powders and a thermodynamic analysis is made to predict the synthesis conditions.

  11. Selected AB₄²-/- (A = C, Si, Ge; B = Al, Ga, In) Ions: a Battle Between Covalency and Aromaticity, and Prediction of Square Planar Si in SiIn₄²-/-

    Energy Technology Data Exchange (ETDEWEB)

    Alexandrova, Anastassia N.; Nayhouse, Michael J.; Huynh, Mioy T.; Kuo, Jonathan L.; Melkonian, Arek V.; Chavez, Gerardo; Hernando, Nina M.; Kowal, Matthew D.; Liu, Chi-Ping

    2012-11-21

    CAl₄²-/- (D₄h, ¹A₁g) is is a cluster ion that has been established to be planar, aromatic, and contain a tetracoordinate planar C atom. Valence isoelectronic substitution of C with Si and Ge in this cluster leads to a radical change of structure toward distorted pentagonal species. We find that this structural change goes together with the cluster acquiring partial covalency of bonding between Si/Ge and Al₄, facilitated by hybridization of the atomic orbitals (AOs). Counter intuitively, for the AAl₄²-/- (A = C, Si, Ge) clusters, hybridization in the dopant atom is strengthened from C, to Si, and to Ge, even though typically AOs are more likely to hybridize if they are closer in energy (i.e. in earlier elements in the Periodic Table). The trend is explained by the better overlap of the hybrids of the heavier dopants with the orbitals of Al₄. From the thus understood trend, it is inferred that covalency in such clusters can be switched off, by varying the relative sizes of the AOs of the main element and the dopant. Using this mechanism, we then successfully killed covalency in Si, and predicted a new aromatic cluster ion containing a tetracoordinate square planar Si, SiIn₄²-/-.

  12. Selected AB4(2-/-) (A = C, Si, Ge; B = Al, Ga, In) ions: a battle between covalency and aromaticity, and prediction of square planar Si in SiIn4(2-/-).

    Science.gov (United States)

    Alexandrova, Anastassia N; Nayhouse, Michael J; Huynh, Mioy T; Kuo, Jonathan L; Melkonian, Arek V; Chavez, Gerardo; Hernando, Nina M; Kowal, Matthew D; Liu, Chi-Ping

    2012-11-21

    CAl(4)(2-/-) (D(4h), (1)A(1g)) is a cluster ion that has been established to be planar, aromatic, and contain a tetracoordinate planar C atom. Valence isoelectronic substitution of C with Si and Ge in this cluster leads to a radical change of structure toward distorted pentagonal species. We find that this structural change goes together with the cluster acquiring partial covalency of bonding between Si/Ge and Al(4), facilitated by hybridization of the atomic orbitals (AOs). Counter intuitively, for the AAl(4)(2-/-) (A = C, Si, Ge) clusters, hybridization in the dopant atom is strengthened from C, to Si, and to Ge, even though typically AOs are more likely to hybridize if they are closer in energy (i.e. in earlier elements in the Periodic Table). The trend is explained by the better overlap of the hybrids of the heavier dopants with the orbitals of Al(4). From the thus understood trend, it is inferred that covalency in such clusters can be switched off, by varying the relative sizes of the AOs of the main element and the dopant. Using this mechanism, we then successfully killed covalency in Si, and predicted a new aromatic cluster ion containing a tetracoordinate square planar Si, SiIn(4)(2-/-).

  13. Design and synthesis of quasi-diastereomeric molecules with unchanging central, regenerating axial and switchable helical chirality via cleavage and formation of Ni(II–O and Ni(II–N coordination bonds

    Directory of Open Access Journals (Sweden)

    Vadim A. Soloshonok

    2012-11-01

    Full Text Available We describe herein the design and synthesis of asymmetric, pentadentate ligands, which are able to coordinate to Ni(II cations leading to quasi-diastereomeric complexes displaying two new elements of chirality: stereogenic axis and helix along with configurational stabilization of the stereogenic center on the nitrogen. Due to the stereocongested structural characteristics of the corresponding Ni(II complexes, the formation of quasi-diastereomeric products is highly stereoselective providing formation of only two, (Ra*,Mh*,Rc* and (Ra*,Ph*,Rc*, out of the four possible stereochemical combinations. The reversible quasi-diastereomeric transformation between the products (Ra*,Mh*,Rc* and (Ra*,Ph*,Rc* occurs by intramolecular trans-coordination of Ni–NH and Ni–O bonds providing a basis for a chiral switch model.

  14. Facile Formation and Dissociation Behaviour of C–C Bond Resulted from the Nucleophilic Attack of Carbanions on a Carbonyl Carbon in [Pt(hfac)2

    OpenAIRE

    2000-01-01

    [Pt(hfac)2] (hfac:hexafluoroacetylacetonate) reacts with MeNH2 in CH2Cl2/MeOH to give an –NHMe adduct complex on one of the carbonyl carbons, (MeNH3)[Pt(hfac)(hfac–NHMe)] 1 which is a tetrahedral intermediate of a Schiff base complex,[Pt(CF3COCHC(NMe)CF3)2] 2. Complex 1 activates H2O,MeOH, MeNO2 or acetone in solution to form the correspondingconjugate base adducts. The C–C bond in–CH2NO2 adduct 6, easily cleaves and generates nitromethane in solution.

  15. 涂敷含硼硅玻璃SiC涂层的C/SiC复合材料空气氧化行为%Oxidation behaviors of C/SiC composites coated with SiC coatings containing borosilicate glass

    Institute of Scientific and Technical Information of China (English)

    曹素; 刘永胜; 左新章; 张立同; 成来飞

    2011-01-01

    以2D C/SiC复合材料为基底,采用聚合物裂解工艺(Polymer plyen)制备了含硼硅玻璃SiC自愈合涂层.利用扫描电镜对含硼硅玻璃SiC涂层的2D C/SiC复合材料氧化前后的微结构形貌进行了分析.研究了含硼硅玻璃SiC涂层的C/SiC复合材料在静态空气中700℃、1000℃和1200℃下的氧化行为,并分析了涂层层数对C/SiC复合材料氧化行为的影响.结果表明:含硼硅玻璃SiC涂层在该温度下形成的玻璃相可以较好地封填表面缺陷(裂纹和孔洞);并且随温度升高及涂层层数增加,试样在氧化过程中质量减少率降低,氧化后的强度保持率提高.%SiC self-healing coatings containing borosilicate glass were prepared by polymer plyen on the 2D C/SiC composites. The microstructure morphologies of the 2D C/SiC composites with SiC coating containing borosilicate glass before and after oxidation were analyzed by SEM. The oxidation behaviors of the C/SiC composites with SiC coating containing borosilicate glass were studied at 700 ℃, 1000 ℃ and 1200 ℃ in static air and the oxidation behaviors resulted by different layers were analyzed. The results show that the glass phase produced by the SiC coating containing borosilicate glass can seal the defections (cracks and pores) existed in the coating, and with increasing the temperature and number of the coating layers, the C/SiC composites have lower mass loss during the oxidation and higher strength retention after oxidized.

  16. Role of field-effect on c-Si surface passivation by ultrathin (2-20 nm) atomic layer deposited Al2O3

    Science.gov (United States)

    Terlinden, N. M.; Dingemans, G.; van de Sanden, M. C. M.; Kessels, W. M. M.

    2010-03-01

    Al2O3 synthesized by plasma-assisted atomic layer deposition yields excellent surface passivation of crystalline silicon (c-Si) for films down to ˜5 nm in thickness. Optical second-harmonic generation was employed to distinguish between the influence of field-effect passivation and chemical passivation through the measurement of the electric field in the c-Si space-charge region. It is demonstrated that this electric field—and hence the negative fixed charge density—is virtually unaffected by the Al2O3 thickness between 2 and 20 nm indicating that a decrease in chemical passivation causes the reduced passivation performance for <5 nm thick Al2O3 films.

  17. Investigation of the agglomeration and amorphous transformation effects of neutron irradiation on the nanocrystalline silicon carbide (3C-SiC) using TEM and SEM methods

    Science.gov (United States)

    Huseynov, Elchin M.

    2017-04-01

    Nanocrystalline 3C-SiC particles irradiated by neutron flux during 20 h in TRIGA Mark II light water pool type research reactor. Silicon carbide nanoparticles were analyzed by Scanning Electron Microscope (SEM) and Transmission Electron Microscopy (TEM) devices before and after neutron irradiation. The agglomeration of nanoparticles was studied comparatively before and after neutron irradiation. After neutron irradiation the amorphous layer surrounding the nanoparticles was analyzed in TEM device. Neutron irradiation defects in the 3C-SiC nanoparticles and other effects investigated by TEM device. The effect of irradiation on the crystal structure of the nanomaterial was studied by selected area electron diffraction (SAED) and electron diffraction patterns (EDP) analysis.

  18. Synthesis, characterization, and wear and friction properties of variably structured SiC/Si elements made from wood by molten Si impregnation

    DEFF Research Database (Denmark)

    Dhiman, Rajnish; Rana, Kuldeep; Bengu, Erman

    2012-01-01

    ceramic material can be achieved, thus suggesting new industrial applications. The structure and composition of numerous as-synthesized samples were characterized in detail by using a wide range of techniques. Wear and friction properties were also investigated, with polished samples. The properties found......We have synthesized pre-shaped SiC/Si ceramic material elements from charcoal (obtained from wood) by impregnation with molten silicon, which takes place in a two-stage process. In the first process, a porous structure of connected micro-crystals of β-SiC is formed, while, in the second process......, molten Si totally or partly infiltrates the remaining open regions. This process forms a dense material with cubic (β-)SiC crystallites, of which the majority is imbedded in amorphous Si. The synthesis of preshaped “sprocket” elements demonstrates that desired shapes of such a dense SiC/Si composite...

  19. Near-ultraviolet lateral photovoltaic effect in Fesub>3sub>Osub>4sub>/3C-SiC Schottky junctions.

    Science.gov (United States)

    Song, Bingqian; Wang, Xianjie; Li, Bo; Zhang, Lingli; Lv, Zhe; Zhang, Yu; Wang, Yang; Tang, Jinke; Xu, Ping; Li, Bingsheng; Yang, Yanqiang; Sui, Yu; Song, Bo

    2016-10-17

    In this paper, we report a sensitive lateral photovoltaic effect (LPE) in Fesub>3sub>Osub>4sub>/3C-SiC Schottky junctions with a fast relaxation time at near-ultraviolet wavelengths. The rectifying behavior suggests that the large build-in electric field was formed in the Schottky junctions. This device has excellent position sensitivity as high as 67.8 mV mm-1 illuminated by a 405 nm laser. The optical relaxation time of the LPE is about 30 μs. The fast relaxation and high positional sensitivity of the LPE make the Fesub>3sub>Osub>4sub>/3C-SiC junction a promising candidate for a wide range of ultraviolet/near-ultraviolet optoelectronic applications.

  20. Fabrication of SiC Composites with Synergistic Toughening of Carbon Whisker and In Situ 3C-SiC Nanowire

    Directory of Open Access Journals (Sweden)

    Zhang Yunlong

    2016-01-01

    Full Text Available The SiC composites with synergistic toughening of carbon whisker and in situ 3C-SiC nanowire have been fabricated by hot press sinter technology and annealed treatment technology. Effect of annealed time on the morphology of SiC nanowires and mechanical properties of the Cw/SiC composites was surveyed in detail. The appropriate annealed time improved mechanical properties of the Cw/SiC composites. The synergistic effect of carbon whisker and SiC nanowire can improve the fracture toughness for Cw/SiC composites. The vapor-liquid-solid growth (VLS mechanism was proposed. TEM photo showed that 3C-SiC nanowire can be obtained with preferential growth plane ({111}, which corresponded to interplanar spacing about 0.25 nm.