Investigation of structural and magnetic properties of rapidly-solidified iron-silicon alloys at ambient and elevated temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jayaraman, T. V.; Meka, V. M.; Jiang, X.

Here we investigated the ambient temperature structural properties (thickness, width, microstructure, and lattice parameter), and the ambient and high temperature (up to 900 K) direct current (DC) magnetic properties—saturation magnetization (M S) and intrinsic coercivity (H CI)—of rapidly-solidified (melt-spun) Fe-x wt.% Si (x = 3, 5, & 8) alloys. The wheel surface speeds selected for the study were 30 m/s and 40 m/s. The ribbons produced at the lower wheel surface speed (30 m/s) were continuous having relatively uniform edges compared to the ribbons produced at the higher wheel surface speed. The thickness and the width of the melt-spun ribbonsmore » ranged between ~15 and 60 μm and 500–800 μm, respectively. The x-ray diffraction spectra of the melt-spun ribbons indicated the presence of disordered α-phase, irrespective of the composition, and the wheel surface speed. The lattice parameter decreased gradually as a function of increasing silicon content from ~0.2862 nm (Fe-3 wt.% Si) to ~0.2847 nm (Fe-8 wt.% Si). The wheel surface speed showed an insignificant effect on M S while increased silicon content resulted in a decreasing trend in M S. Elevated temperature evaluation of the magnetization (M-T curves at ~7.96 kA/m) in the case of Fe-3 & 5 wt.% Si alloy ribbons was distinctly different from that of the Fe-8 wt.% Si alloy ribbons. The curves of the as-prepared Fe-3 wt.% Si and Fe-5 wt.% Si alloy ribbons were irreversible while that of Fe-8 wt.% Si was reversible. The M S for any of the combinations of wheel surface speed and composition decreased monotonically with the increase in temperature (from 300 to 900 K). While H CI increased with the increase in temperature for all the wheel surface speed and composition combination, its nature of increase is distinct for Fe-8 wt.% Si alloy ribbons compared to Fe-3 & 5 wt.% Si alloys ribbons. Finally, it appears that rapidly-solidified Fe-3 wt.% Si and Fe-5 wt.% Si alloys ribbons are primarily comprised of the α phase (disordered phase) while the Fe-8 wt.% Si alloy ribbons are comprised primarily of disordered phase along with minor constituents of an ordered phase.« less

Structural and electrical investigations of a-Si:H(i) and a-Si:H(n+) stacked layers for improving the interface and passivation qualities

NASA Astrophysics Data System (ADS)

Hsieh, Yu-Lin; Lee, Chien-Chieh; Lu, Chia-Cheng; Fuh, Yiin-Kuen; Chang, Jenq-Yang; Lee, Ju-Yi; Li, Tomi T.

2017-07-01

A symmetrically stacked structure [(a-Si:H(n+)/a-Si:H(i)/CZ wafer (n)/a-Si:H(i)/a-Si:H(n+)] was used to optimize the growth process conditions of the n-type hydrogenated amorphous silicon [a-Si:H(n+)] thin films. Here a-Si:H(n+) film was used as back surface field (BSF) layer for the silicon heterojunction solar cell and all stacked films were prepared by conventional radio-frequency plasma-enhanced chemical vapor deposition. The characterizations of the effective carrier lifetime (τeff), electrical and structural properties, as well as correlation with the hydrogen dilution ratio (R=H2/SiH4) were systematically discussed with the emphasis on the effectiveness of the passivation layer using the lifetime tester, spectroscopic ellipsometry, and hall measurement. High quality of a stacked BSF layer (intrinsic/n-type a-Si:H layer) with effective carrier lifetime of 1.8 ms can be consistently obtained. This improved passivation layer can be primarily attributed to the synergy of chemical and field effect to significantly reduce the surface recombination.

Overview of Single-Molecule Speckle (SiMS) Microscopy and Its Electroporation-Based Version with Efficient Labeling and Improved Spatiotemporal Resolution.

PubMed

Yamashiro, Sawako; Watanabe, Naoki

2017-07-06

Live-cell single-molecule imaging was introduced more than a decade ago, and has provided critical information on remodeling of the actin cytoskeleton, the motion of plasma membrane proteins, and dynamics of molecular motor proteins. Actin remodeling has been the best target for this approach because actin and its associated proteins stop diffusing when assembled, allowing visualization of single-molecules of fluorescently-labeled proteins in a state specific manner. The approach based on this simple principle is called Single-Molecule Speckle (SiMS) microscopy. For instance, spatiotemporal regulation of actin polymerization and lifetime distribution of actin filaments can be monitored directly by tracking actin SiMS. In combination with fluorescently labeled probes of various actin regulators, SiMS microscopy has contributed to clarifying the processes underlying recycling, motion and remodeling of the live-cell actin network. Recently, we introduced an electroporation-based method called eSiMS microscopy, with high efficiency, easiness and improved spatiotemporal precision. In this review, we describe the application of live-cell single-molecule imaging to cellular actin dynamics and discuss the advantages of eSiMS microscopy over previous SiMS microscopy.

Quick-scanning x-ray absorption spectroscopy system with a servo-motor-driven channel-cut monochromator with a temporal resolution of 10 ms.

PubMed

Nonaka, T; Dohmae, K; Araki, T; Hayashi, Y; Hirose, Y; Uruga, T; Yamazaki, H; Mochizuki, T; Tanida, H; Goto, S

2012-08-01

We have developed a quick-scanning x-ray absorption fine structure (QXAFS) system and installed it at the recently constructed synchrotron radiation beamline BL33XU at the SPring-8. Rapid acquisition of high-quality QXAFS data was realized by combining a servo-motor-driven Si channel-cut monochromator with a tapered undulator. Two tandemly aligned monochromators with channel-cut Si(111) and Si(220) crystals covered energy ranges of 4.0-28.2 keV and 6.6-46.0 keV, respectively. The system allows the users to adjust instantly the energy ranges of scans, the starting angles of oscillations, and the frequencies. The channel-cut crystals are cooled with liquid nitrogen to enable them to withstand the high heat load from the undulator radiation. Deformation of the reflecting planes is reduced by clamping each crystal with two cooling blocks. Performance tests at the Cu K-edge demonstrated sufficiently high data quality for x-ray absorption near-edge structure and extended x-ray absorption fine-structure analyses with temporal resolutions of up to 10 and 25 ms, respectively.

Ferrofluids based on Co-Fe-Si-B amorphous nanoparticles

NASA Astrophysics Data System (ADS)

Wang, Tianqi; Bian, Xiufang; Yang, Chuncheng; Zhao, Shuchun; Yu, Mengchun

2017-03-01

Magnetic Co-Fe-Si-B amorphous nanoparticles were successfully synthesized by chemical reduction method. ICP, XRD, DSC, and TEM were used to investigate the composition, structure and morphology of Co-Fe-Si-B samples. The results show that the Co-Fe-Si-B samples are amorphous, which consist of nearly spherical nanoparticles with an average particle size about 23 nm. VSM results manifest that the saturation magnetization (Ms) of Co-Fe-Si-B samples ranges from 46.37 to 62.89 emu/g. Two kinds of ferrofluids (FFs) were prepared by dispersing Co-Fe-Si-B amorphous nanoparticles and CoFe2O4 nanoparticles in kerosene and silicone oil, respectively. The magnetic properties, stability and viscosity of the FFs were investigated. The FFs with Co-Fe-Si-B samples have a higher Ms and lower coercivity (Hc) than FFs with CoFe2O4 sample. Under magnetic field, the silicone oil-based FFs exhibit high stability. The viscosity of FFs under different applied magnetic fields was measured by a rotational viscometer, indicating that FFs with Co-Fe-Si-B particles present relative strong response to an external magnetic field. The metal-boride amorphous alloy nanoparticles have potential applications in the preparation of magnetic fluids with good stability and good magnetoviscous properties.

Low Thermal Conductivity of Bulk Amorphous Si1- x Ge x Containing Nano-Sized Crystalline Particles Synthesized by Ball-Milling Process

NASA Astrophysics Data System (ADS)

Muthusamy, Omprakash; Nishino, Shunsuke; Ghodke, Swapnil; Inukai, Manabu; Sobota, Robert; Adachi, Masahiro; Kiyama, Makato; Yamamoto, Yoshiyuki; Takeuchi, Tsunehiro; Santhanakrishnan, Harish; Ikeda, Hiroya; Hayakawa, Yasuhiro

2018-06-01

Amorphous Si0.65Ge0.35 powder containing a small amount of nano-sized crystalline particles was synthesized by means of the mechanical alloying process. Hot pressing for 24 h under the pressure of 400 MPa at 823 K, which is below the crystallization temperature, allowed us to obtain bulk amorphous Si-Ge alloy containing a small amount of nanocrystals. The thermal conductivity of the prepared bulk amorphous Si-Ge alloy was extremely low, showing a magnitude of less than 1.35 Wm-1 K-1 over the entire temperature range from 300 K to 700 K. The sound velocity of longitudinal and transverse waves for the bulk amorphous Si0.65Ge0.35 were measured, and the resulting values were 5841 m/s and 2840 m/s, respectively. The estimated mean free path of phonons was kept at the very small value of ˜ 4.2 nm, which was mainly due to the strong scattering limit of phonons in association with the amorphous structure.

Spray Inlet Proton Transfer Reaction Mass Spectrometry (SI-PTR-MS) for Rapid and Sensitive Online Monitoring of Benzene in Water.

PubMed

Zou, Xue; Kang, Meng; Li, Aiyue; Shen, Chengyin; Chu, Yannan

2016-03-15

Rapid and sensitive monitoring of benzene in water is very important to the health of people and for environmental protection. A novel and online detection method of spray inlet proton transfer reaction mass spectrometry (SI-PTR-MS) was introduced for rapid and sensitive monitoring of trace benzene in water. A spraying extraction system was coupled with the self-developed PTR-MS. The benzene was extracted from the water sample in the spraying extraction system and continuously detected with PTR-MS. The flow of carrier gas and salt concentration in water were optimized to be 50 sccm and 20% (w/v), respectively. The response time and the limit of detection of the SI-PTR-MS for detection of benzene in water were 55 s and 0.14 μg/L at 10 s integration time, respectively. The repeatability of the SI-PTR-MS was evaluated, and the relative standard deviation of five replicate determinations was 4.3%. The SI-PTR-MS system was employed for monitoring benzene in different water matrices, such as tap water, lake water, and wastewater. The results indicated that the online SI-PTR-MS can be used for rapid and sensitive monitoring of trace benzene in water.

Self-limiting and complete oxidation of silicon nanostructures produced by laser ablation in water

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vaccaro, L.; Messina, F.; Camarda, P.

2016-07-14

Oxidized Silicon nanomaterials produced by 1064 nm pulsed laser ablation in deionized water are investigated. High-resolution transmission electron microscopy coupled with energy dispersive X-ray spectroscopy allows to characterize the structural and chemical properties at a sub-nanometric scale. This analysis clarifies that laser ablation induces both self-limiting and complete oxidation processes which produce polycrystalline Si surrounded by a layer of SiO{sub 2} and amorphous fully oxidized SiO{sub 2}, respectively. These nanostructures exhibit a composite luminescence spectrum which is investigated by time-resolved spectroscopy with a tunable laser excitation. The origin of the observed luminescence bands agrees with the two structural typologies: Si nanocrystalsmore » emit a μs-decaying red band; defects of SiO{sub 2} give rise to a ns-decaying UV band and two overlapping blue bands with lifetime in the ns and ms timescale.« less

High Sensitivity and High Detection Specificity of Gold-Nanoparticle-Grafted Nanostructured Silicon Mass Spectrometry for Glucose Analysis.

PubMed

Tsao, Chia-Wen; Yang, Zhi-Jie

2015-10-14

Desorption/ionization on silicon (DIOS) is a high-performance matrix-free mass spectrometry (MS) analysis method that involves using silicon nanostructures as a matrix for MS desorption/ionization. In this study, gold nanoparticles grafted onto a nanostructured silicon (AuNPs-nSi) surface were demonstrated as a DIOS-MS analysis approach with high sensitivity and high detection specificity for glucose detection. A glucose sample deposited on the AuNPs-nSi surface was directly catalyzed to negatively charged gluconic acid molecules on a single AuNPs-nSi chip for MS analysis. The AuNPs-nSi surface was fabricated using two electroless deposition steps and one electroless etching step. The effects of the electroless fabrication parameters on the glucose detection efficiency were evaluated. Practical application of AuNPs-nSi MS glucose analysis in urine samples was also demonstrated in this study.

Effects of a Thin Ru-Doped PVP Interface Layer on Electrical Behavior of Ag/n-Si Structures

NASA Astrophysics Data System (ADS)

Badali, Yosef; Nikravan, Afsoun; Altındal, Şemsettin; Uslu, İbrahim

2018-03-01

The aim of this study is to improve the electrical property of Ag/n-Si metal-semiconductor (MS) structure by growing an Ru-doped PVP interlayer between Ag and n-Si using electrospinning technique. To illustrate the utility of the Ru-doped PVP interface layer, current-voltage (I-V) characteristics of Ag/n-Si (MS) and Ag/Ru-doped PVP/n-Si metal-polymer-semiconductor (MPS) structures was carried out. In addition, the main electrical parameters of the fabricated Ag/Ru-doped PVP/n-Si structures were investigated as a function of frequency and electric field using impedance spectroscopy method (ISM). The capacitance-voltage (C-V) plot showed an anomalous peak in the depletion region due to the special density distribution of interface traps/states (D it /N ss) and interlayer. Both the values of series resistance (R s) and N ss were drawn as a function of voltage and frequency between 0.5 kHz and 5 MHz at room temperature and they had a peak behavior in the depletion region. Some important parameters of the sample such as the donor concentration atoms (N D), Fermi energy (E F ), thickness of the depletion region (W D), barrier height (Φ B0 ) and R s were determined from the C -2 versus V plot for each frequency. The values of N D , W D , Φ B0 and R s were changed from 1 × 1015 cm-3, 9.61 × 10-5 cm, 0.94 eV and 19,055 Ω (at 0.5 kHz) to 0.13 × 1015 cm-3, 27.4 × 10-4 cm, 1.04 eV and 70 Ω (at 5 MHz), respectively. As a result of the experiments, it is observed that the change in electrical parameters becomes more effective at lower frequencies due to the N ss and their relaxation time (τ), dipole and surface polarizations.

Effects of a Thin Ru-Doped PVP Interface Layer on Electrical Behavior of Ag/n-Si Structures

NASA Astrophysics Data System (ADS)

Badali, Yosef; Nikravan, Afsoun; Altındal, Şemsettin; Uslu, İbrahim

2018-07-01

The aim of this study is to improve the electrical property of Ag/n-Si metal-semiconductor (MS) structure by growing an Ru-doped PVP interlayer between Ag and n-Si using electrospinning technique. To illustrate the utility of the Ru-doped PVP interface layer, current-voltage ( I-V) characteristics of Ag/n-Si (MS) and Ag/Ru-doped PVP/n-Si metal-polymer-semiconductor (MPS) structures was carried out. In addition, the main electrical parameters of the fabricated Ag/Ru-doped PVP/n-Si structures were investigated as a function of frequency and electric field using impedance spectroscopy method (ISM). The capacitance-voltage ( C-V) plot showed an anomalous peak in the depletion region due to the special density distribution of interface traps/states ( D it /N ss) and interlayer. Both the values of series resistance ( R s) and N ss were drawn as a function of voltage and frequency between 0.5 kHz and 5 MHz at room temperature and they had a peak behavior in the depletion region. Some important parameters of the sample such as the donor concentration atoms ( N D), Fermi energy ( E F ), thickness of the depletion region ( W D), barrier height ( Φ B0 ) and R s were determined from the C - 2 versus V plot for each frequency. The values of N D , W D , Φ B0 and R s were changed from 1 × 1015 cm-3, 9.61 × 10-5 cm, 0.94 eV and 19,055 Ω (at 0.5 kHz) to 0.13 × 1015 cm-3, 27.4 × 10-4 cm, 1.04 eV and 70 Ω (at 5 MHz), respectively. As a result of the experiments, it is observed that the change in electrical parameters becomes more effective at lower frequencies due to the N ss and their relaxation time ( τ), dipole and surface polarizations.

Porous silicon mass spectrometry as an alternative confirmatory assay for compliance testing of methadone.

PubMed

Guinan, Taryn M; Neldner, Declan; Stockham, Peter; Kobus, Hilton; Della Vedova, Christopher B; Voelcker, Nicolas H

2017-05-01

Porous silicon based surface-assisted laser desorption ionization mass spectrometry (pSi SALDI-MS) is an analytical technique well suited for high throughput analysis of low molecular weight compounds from biological samples. A potential application of this technology is the compliance monitoring of opioid addiction programmes, where methadone is used as a pharmacological treatment for drugs such as heroin. Here, we present the detection and quantification of methadone and 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine (EDDP) from water and clinical samples (saliva, urine, and plasma) from opioid dependent participants using pSi SALDI-MS. A one-step solvent phase extraction using chloroform was developed for the detection of methadone from clinical samples for analysis by pSi SALDI-MS. Liquid chromatography-mass spectrometry (LC-MS) was used as a comparative technique for the quantification of methadone from clinical saliva and plasma samples. In all cases, we obtained a good correlation of pSi SALDI-MS and LC-MS results, suggesting that pSi SALDI-MS may be an alternative procedure for high-throughput screening and quantification for application in opioid compliance testing. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Structure and magnetic properties of Heusler alloy Co2RuSi melt-spun ribbons

NASA Astrophysics Data System (ADS)

Xin, Yuepeng; Ma, Yuexing; Hao, Hongyue; Luo, Hongzhi; Meng, Fanbin; Liu, Heyan; Liu, Enke; Wu, Guangheng

2017-08-01

Heusler alloy Co2RuSi has been synthesized by melt-spinning technology successfully. Co2RuSi bulk sample after annealing is composed of an HCP Co-rich phase and a BCC Ru-Si phase, but melt-spinning can suppress the precipitation of the HCP phase and produce a single Co2RuSi Heusler phase. In the XRD pattern, it is found that Ru has a strong preference for the (A, C) sites, though it has fewer valence electrons compared with Co. This site preference is different from the case in Heusler alloys containing only 3d elements and is supported further by first-principles calculations. Melt-spun Co2RuSi has a Ms of 2.67 μB/f.u. at 5 K and a Tc of 491 K. An exothermic peak is observed at 871 K in the DTA curve, corresponding to the decomposition of the Heusler phase. Finally, the site preference and magnetic properties of Co2RuSi were discussed based on electronic structure calculation and charge density difference.

Oxide mediated liquid-solid growth of high aspect ratio aligned gold silicide nanowires on Si(110) substrates.

PubMed

Bhatta, Umananda M; Rath, Ashutosh; Dash, Jatis K; Ghatak, Jay; Yi-Feng, Lai; Liu, Chuan-Pu; Satyam, P V

2009-11-18

Silicon nanowires grown using the vapor-liquid-solid method are promising candidates for nanoelectronics applications. The nanowires grow from an Au-Si catalyst during silicon chemical vapor deposition. In this paper, the effect of temperature, oxide at the interface and substrate orientation on the nucleation and growth kinetics during formation of nanogold silicide structures is explained using an oxide mediated liquid-solid growth mechanism. Using real time in situ high temperature transmission electron microscopy (with 40 ms time resolution), we show the formation of high aspect ratio ( approximately 15.0) aligned gold silicide nanorods in the presence of native oxide at the interface during in situ annealing of gold thin films on Si(110) substrates. Steps observed in the growth rate and real time electron diffraction show the existence of liquid Au-Si nano-alloy structures on the surface besides the un-reacted gold nanostructures. These results might enable us to engineer the growth of nanowires and similar structures with an Au-Si alloy as a catalyst.

Photocatalytic degradation of tetracycline by Ti-MCM-41 prepared at room temperature and biotoxicity of degradation products

NASA Astrophysics Data System (ADS)

Zhou, Kefu; Xie, Xiao-Dan; Chang, Chang-Tang

2017-09-01

Ti-doped MCM-41 with different Si/Ti molar ratios was prepared at room temperature to degrade tetracycline antibiotics in aqueous solution. The Ti was doped into the skeleton structure of MCM-41. The photocatalytic activity of Ti-doped MCM-41 was investigated. The optimal catalyst had Si/Ti molar ratio of 25 and over 99% removal of oxytetracycline in 150 min, and the removal could maintain 98% after 5 reuses. Ions and soluble organic matters in natural water affected the degradation reaction when Ti-doped MCM-41 was used to treat simulated wastewater of chicken farms. The degradation products of oxytetracycline, tetracycline and chlortetracycline were detected by Escherichia coli DH5α and HPLC-MS/MS. No intermediate product with higher toxicity was detected.

Magnetic and structural properties of Mn1-xCrxAlGe (0 ≤ x ≤ 1.0)

NASA Astrophysics Data System (ADS)

Masumitsu, Hayato; Yoshinaga, Soshi; Mitsui, Yoshifuru; Umetsu, Rie Y.; Hiroi, Masahiko; Uwatoko, Yoshiya; Koyama, Keiichi

2018-06-01

The magnetic and structural properties of Mn1-xCrxAlGe (0 ≤ x ≤ 1.0) compounds were investigated. The spontaneous magnetization Ms and Curie temperature TC of Mn1-xCrxAlGe has a cusp at x = 0.2. The maximum values of Ms and TC are 1.74 μB/f.u. and 601 K, respectively. It was found that the tetragonal Cu2Sb-type structure was stable for 0 ≤ x ≤ 0.75, whereas orthorhombic TiSi2-type structure was observed for x ≥ 0.8. The reciprocal susceptibility as a function of temperature suggested that the magnetic moment of Cr is antiferromagnetically coupled with that of Mn in Cu2Sb-type structure.

Testing and Characterization of CMC Combustor Liners

NASA Technical Reports Server (NTRS)

Robinson, R. Craig; Verrilli, Michael J.

2003-01-01

Multiple combustor liner applications, both segmented and fully annular designs, have been configured for exposure in NASA's High Pressure Burner Rig (HPBR). The segmented liners were attached to the rig structure with SiC/SiC fasteners and exposed to simulated gas turbine conditions for nearly 200 hours. Test conditions included pressures of 6 atm., gas velocity of 42 m/s, and gas temperatures near 1450 C. The temperatures of both the cooled and combustion flow sides of the liners were measured using optical and contact measurement techniques. Minor weight loss was observed, but the liners remained structural sound, although damage was noted in some fasteners.

Overview of an Advanced Hypersonic Structural Concept Test Program

NASA Technical Reports Server (NTRS)

Stephens, Craig A.; Hudson, Larry D.; Piazza, Anthony

2007-01-01

This viewgraph presentation provides an overview of hypersonics M&S advanced structural concepts development and experimental methods. The discussion on concepts development includes the background, task objectives, test plan, and current status of the C/SiC Ruddervator Subcomponent Test Article (RSTA). The discussion of experimental methods examines instrumentation needs, sensors of interest, and examples of ongoing efforts in the development of extreme environment sensors.

Molecular dynamics study of silicon carbide properties under external dynamic loading

NASA Astrophysics Data System (ADS)

Utkin, A. V.; Fomin, V. M.

2017-10-01

In this study, molecular dynamic simulations of high-velocity impact of a spherical 3C-SiC cluster, with a wide range of velocities (from 100 to 2600 m/s) and with a rigid wall, were performed. The analysis of the final structure shows that no structural phase transformation occurred in the material, despite the high pressure during the collision process.

Spatial patterns in heavy-mineral concentrations along the Curonian Spit coast, southeastern Baltic Sea

NASA Astrophysics Data System (ADS)

Pupienis, Donatas; Buynevich, Ilya; Ryabchuk, Daria; Jarmalavičius, Darius; Žilinskas, Gintautas; Fedorovič, Julija; Kovaleva, Olga; Sergeev, Alexander; Cichoń-Pupienis, Anna

2017-08-01

The 98-km-long Curonian Spit is fronted by beaches mainly composed of quartz sand with minor high-density fractions. In this study heavy-mineral concentration (HMC) trends and grain-size statistical parameters were used to assess their role as indicators of natural processes, human activities, and patterns of longshore transport. A total of 92 surface sand samples were collected at 1 km intervals from the middle of the beach along the Baltic Sea shoreline of the spit between Klaipėda strait in Lithuania and Zelenogradsk in Russia. HMC contribution was assessed in the laboratory using bulk low-field magnetic susceptibility (MS) as a proxy for ferrimagnetic and paramagnetic mineral content. Quartz-dominated (background) sand is generally characterized by low MS values of κ < 50 μSI, whereas higher values κ > 150 μSI are typical for heavy-mineral-rich sand. The greatest MS values along the middle of the beach occur in the southern part of the spit and are 40 times higher than in the northern sector. This pattern suggests the existence of a longshore particle flux with HMC distribution having the potential as a useful tracer of longshore sediment transport. Local anomalously high MS excursions are associated with contribution of iron-rich materials from adjacent man-made structures. Therefore, temporally constrained HMC distribution along the middle of the beach reflects the cumulative effect of antecedent geologic framework, longshore sediment transfer, erosional and accretionary processes, wave and wind climate, and local coastal protective structures.

Interactions between DPPC as a component of lung surfactant and amorphous silica nanoparticles investigated by HILIC-ESI-MS.

PubMed

Silina, Yuliya E; Welck, Jennifer; Kraegeloh, Annette; Koch, Marcus; Fink-Straube, Claudia

2016-09-01

This paper reports a rapid HILIC-ESI-MS assay to quantify dipalmitoylphosphatidylcholine (DPPC) as component of lung surfactant for nanosafety studies. The technique was used to investigate the concentration-dependent sorption of DPPC to two-sizes of amorphous SiO2 nanoparticles (SiO2-NPs) in a MeOH:H2O (50/50v/v) mixture and in cell culture medium. In MeOH:H2O (50/50v/v), the sorption of DPPC was positively correlated with the nanoparticles concentration. A substantial affinity of small amorphous SiO2-NPs (25nm) to DPPC standard solution compared to bigger SiO2-NPs (75nm) was not confirmed for biological specimens. After dispersion of SiO2-NPs in DPPC containing cell culture medium, the capacity of the SiO2-NPs to bind DPPC was reduced in comparison to a mixture of MeOH:H2O (50/50v/v) regardless from the nanoparticles size. Furthermore, HILIC-ESI-MS revealed that A549 cells internalized DPPC during growth in serum containing medium complemented with DPPC. This finding was in a good agreement with the potential of alveolar type II cells to recycle surfactant components. Binding of lipids present in the cell culture medium to amorphous SiO2-NPs was supported by means of HILIC-ESI-MS, TEM and ICP-MS independently. Copyright © 2016 Elsevier B.V. All rights reserved.

Effect of film thickness on soft magnetic behavior of Fe2CoSi Heusler alloy for spin transfer torque device applications

NASA Astrophysics Data System (ADS)

Asvini, V.; Saravanan, G.; Kalaiezhily, R. K.; Raja, M. Manivel; Ravichandran, K.

2018-04-01

Fe2CoSi based Heusler alloy thin films were deposited on Si (111) wafer (substrate) of varying thickness using ultra high vacuum DC magnetron sputtering. The structural behavior was observed and found to be hold the L21 structure. The deposited thin films were characterized magnetic properties using vibrating sample magnetometer; the result shows a very high saturated magnetization (Ms), lowest coercivity (Hc), high curie transition temperature (Tc) and low hysteresis loss. Thin film thickness of 75 nm Fe2CoSi sample maintained at substrate temperature 450°C shows the lowest coercivity (Hc=7 Oe). In general, Fe2CoSi Heusler alloys curie transition temperature is very high, due to strong exchange interaction between the Fe and Co atoms. The substrate temperature was kept constant at 450°C for varying thickness (e.g. 5, 20, 50, 75 and 100 nm) of thin film sample. The 75 nm thickness thin film sample shows well crystallanity and good magnetic properties, further squareness ratio in B-H loop increases with the increase in film thickness.

Development of routines for simultaneous in situ chemical composition and stable Si isotope ratio analysis by femtosecond laser ablation inductively coupled plasma mass spectrometry.

PubMed

Frick, Daniel A; Schuessler, Jan A; von Blanckenburg, Friedhelm

2016-09-28

Stable metal (e.g. Li, Mg, Ca, Fe, Cu, Zn, and Mo) and metalloid (B, Si, Ge) isotope ratio systems have emerged as geochemical tracers to fingerprint distinct physicochemical reactions. These systems are relevant to many Earth Science questions. The benefit of in situ microscale analysis using laser ablation (LA) over bulk sample analysis is to use the spatial context of different phases in the solid sample to disclose the processes that govern their chemical and isotopic compositions. However, there is a lack of in situ analytical routines to obtain a samples' stable isotope ratio together with its chemical composition. Here, we evaluate two novel analytical routines for the simultaneous determination of the chemical and Si stable isotope composition (δ(30)Si) on the micrometre scale in geological samples. In both routines, multicollector inductively coupled plasma mass spectrometry (MC-ICP-MS) is combined with femtosecond-LA, where stable isotope ratios are corrected for mass bias using standard-sample-bracketing with matrix-independent calibration. The first method is based on laser ablation split stream (LASS), where the laser aerosol is split and introduced simultaneously into both the MC-ICP-MS and a quadrupole ICP-MS. The second method is based on optical emission spectroscopy using direct observation of the MC-ICP-MS plasma (LA-MC-ICP-MS|OES). Both methods are evaluated using international geological reference materials. Accurate and precise Si isotope ratios were obtained with an uncertainty typically better than 0.23‰, 2SD, δ(30)Si. With both methods major element concentrations (e.g., Na, Al, Si, Mg, Ca) can be simultaneously determined. However, LASS-ICP-MS is superior over LA-MC-ICP-MS|OES, which is limited by its lower sensitivity. Moreover, LASS-ICP-MS offers trace element analysis down to the μg g(-1)-range for more than 28 elements due to lower limits of detection, and with typical uncertainties better than 15%. For in situ simultaneous stable isotope measurement and chemical composition analysis LASS-ICP-MS in combination with MC-ICP-MS is the method of choice. Copyright © 2016 Elsevier B.V. All rights reserved.

Electron-beam induced amorphization of stishovite: Silicon-coordination change observed using Si K-edge extended electron energy-loss fine structure

NASA Astrophysics Data System (ADS)

van Aken, P. A.; Sharp, T. G.; Seifert, F.

The analysis of the extended energy-loss fine structure (EXELFS) of the Si K-edge for sixfold-coordinated Si in synthetic stishovite and fourfold-coordinated Si in natural α-quartz is reported by using electron energy-loss spectroscopy (EELS) in combination with transmission electron microscopy (TEM). The stishovite Si K-edge EXELFS spectra were measured as a time-dependent series to document irradiation-induced amorphization. The amorphization was also investigated through the change in Si K- and O K-edge energy-loss near edge structure (ELNES). For α-quartz, in contrast to stishovite, electron irradiation-induced vitrification, verified by selected area electron diffraction (SAED), produced no detectable changes of the EXELFS. The Si K-edge EXELFS were analysed with the classical extended X-ray absorption fine structure (EXAFS) treatment and compared to ab initio curve-waved multiple-scattering (MS) calculations of EXAFS spectra for stishovite and α-quartz. Highly accurate information on the local atomic environment of the silicon atoms during the irradiation-induced amorphization of stishovite is obtained from the EXELFS structure parameters (Si-O bond distances, coordination numbers and Debye-Waller factors). The mean Si-O bond distance R and mean Si coordination number N changes from R=0.1775 nm and N=6 for stishovite through a disordered intermediate state (R 0.172 nm and N 5) to R 0.167 nm and N 4.5 for a nearly amorphous state similar to α-quartz (R=0.1609 nm and N=4). During the amorphization process, the Debye-Waller factor (DWF) passes through a maximum value of as it changes from for sixfold to for fourfold coordination of Si. This increase in Debye-Waller factor indicates an increase in mean-square relative displacement (MSRD) between the central silicon atom and its oxygen neighbours that is consistent with the presence of an intermediate structural state with fivefold coordination of Si. The distribution of coordination states can be estimated by modelling the amorphization as a decay process. Using the EXELFS data for amorphization, a new method is developed to derive the relative amounts of Si coordinations in high-pressure minerals with mixed coordination. For the radiation-induced amorphization process of stishovite the formation of a transitory structure with Si largely in fivefold coordination is deduced.

Soil magnetic susceptibility: A quantitative proxy of soil drainage for use in ecological restoration

USGS Publications Warehouse

Grimley, D.A.; Wang, J.-S.; Liebert, D.A.; Dawson, J.O.

2008-01-01

Flooded, saturated, or poorly drained soils are commonly anaerobic, leading to microbially induced magnetite/maghemite dissolution and decreased soil magnetic susceptibility (MS). Thus, MS is considerably higher in well-drained soils (MS typically 40-80 ?? 10-5 standard international [SI]) compared to poorly drained soils (MS typically 10-25 ?? 10-5 SI) in Illinois, other soil-forming factors being equal. Following calibration to standard soil probings, MS values can be used to rapidly and precisely delineate hydric from nonhydric soils in areas with relatively uniform parent material. Furthermore, soil MS has a moderate to strong association with individual tree species' distribution across soil moisture regimes, correlating inversely with independently reported rankings of a tree species' flood tolerance. Soil MS mapping can thus provide a simple, rapid, and quantitative means for precisely guiding reforestation with respect to plant species' adaptations to soil drainage classes. For instance, in native woodlands of east-central Illinois, Quercus alba , Prunus serotina, and Liriodendron tulipifera predominantly occur in moderately well-drained soils (MS 40-60 ?? 10-5 SI), whereas Acer saccharinum, Carya laciniosa, and Fraxinus pennsylvanica predominantly occur in poorly drained soils (MS <20 ?? 10-5 SI). Using a similar method, an MS contour map was used to guide restoration of mesic, wet mesic, and wet prairie species to pre-settlement distributions at Meadowbrook Park (Urbana, IL, U.S.A.). Through use of soil MS maps calibrated to soil drainage class and native vegetation occurrence, restoration efforts can be conducted more successfully and species distributions more accurately reconstructed at the microecosystem level. ?? 2008 Society for Ecological Restoration International.

Preparation and in vitro evaluation of plasma-sprayed Mg(2)SiO(4) coating on titanium alloy.

PubMed

Xie, Youtao; Zhai, Wanyin; Chen, Lei; Chang, Jiang; Zheng, Xuebin; Ding, Chuanxian

2009-07-01

In this paper, chemically synthesized Mg(2)SiO(4) (MS) powder was plasma-sprayed onto a titanium alloy substrate to evaluate its application potentials in biomedicine. The phase composition and surface morphology of the MS coating were analyzed. Results showed that the MS coating was composed mainly of Mg(2)SiO(4) phase, with a small amount of MgO and glass phases. Mechanical testing showed that the coating exhibited good adhesion strength to the substrate due to the close thermal expansion coefficient between the MS ceramic and the titanium alloy substrate. The measured bonding strength was as high as 41.5+/-5.3MPa, which is much higher than the traditional HA coating. In vitro cytocompatibility evaluation of the MS coating was performed using canine bone marrow stem cells (MSCs). The MSCs exhibited good adhesion, proliferation and differentiation behavior on the MS coating surface, which can be explained by the high protein adsorption capability of the MS coating, as well as the stimulatory effects of Mg and Si ions released from the coating. The proliferation rate of the MSCs on MS coating was very close to that on the hydroxylapatite (HA) coating. Alkaline phosphatase (ALP) activity analysis demonstrated that the ALP level of the MSCs on the MS coating remained high even after 21days, implying that the surface characteristics of the coating are beneficial for the differentiation of MSCs. In summary, our results suggest that MS coating might be a new approach to prepare bone implants.

Tailoring of the soft magnetic property and uniaxial anisotropy of magnetostrictive films by interlayer

NASA Astrophysics Data System (ADS)

Wen, Dandan; Bai, Feiming; Wang, Yicheng; Zhong, Zhiyong; Zhang, Huaiwu

2013-05-01

Laminated amorphous FeSiBC films with various spacer layers, including Cu, Co0.45Cu0.55, Co0.8Cu0.2, and CoFe, were prepared in order to study the effect of interface structure and magnetic exchange interaction on the magnetic softness and uniaxial anisotropy of multilayered film. It is found that laminating FeSiBC film with thin nonmagnetic or weak magnetic spacers yields much lower coercivity and higher remanent magnetization than those with magnetic spacers. Optimal films with the desired properties of Hc ˜ 1.5 Oe, Mr/Ms = 95%, and Hk ˜ 16 Oe were obtained. Therefore, it is confirmed that the exchange interaction constant of spacer layer plays a more important role than that of interface structure. Furthermore, laminating FeSiBC with nonmagnetic layers only slightly changes magnetostrictive coefficient.

Investigation on the structural characterization of pulsed p-type porous silicon

NASA Astrophysics Data System (ADS)

Wahab, N. H. Abd; Rahim, A. F. Abd; Mahmood, A.; Yusof, Y.

2017-08-01

P-type Porous silicon (PS) was sucessfully formed by using an electrochemical pulse etching (PC) and conventional direct current (DC) etching techniques. The PS was etched in the Hydrofluoric (HF) based solution at a current density of J = 10 mA/cm2 for 30 minutes from a crystalline silicon wafer with (100) orientation. For the PC process, the current was supplied through a pulse generator with 14 ms cycle time (T) with 10 ms on time (Ton) and pause time (Toff) of 4 ms respectively. FESEM, EDX, AFM, and XRD have been used to characterize the morphological properties of the PS. FESEM images showed that pulse PS (PPC) sample produces more uniform circular structures with estimated average pore sizes of 42.14 nm compared to DC porous (PDC) sample with estimated average size of 16.37nm respectively. The EDX spectrum for both samples showed higher Si content with minimal presence of oxide.

Dorsolateral prefrontal cortex bridges bilateral primary somatosensory cortices during cross-modal working memory.

PubMed

Zhao, Di; Ku, Yixuan

2018-05-01

Neural activity in the dorsolateral prefrontal cortex (DLPFC) has been suggested to integrate information from distinct sensory areas. However, how the DLPFC interacts with the bilateral primary somatosensory cortices (SIs) in tactile-visual cross-modal working memory has not yet been established. In the present study, we applied single-pulse transcranial magnetic stimulation (sp-TMS) over the contralateral DLPFC and bilateral SIs of human participants at various time points, while they performed a tactile-visual delayed matching-to-sample task with a 2-second delay. sp-TMS over the contralateral DLPFC or the contralateral SI at either an sensory encoding stage [i.e. 100 ms after the onset of a vibrotactile sample stimulus (200-ms duration)] or an early maintenance stage (i.e. 300 ms after the onset), significantly impaired the accuracy of task performance; sp-TMS over the contralateral DLPFC or the ipsilateral SI at a late maintenance stage (1600 ms and 1900 ms) also significantly disrupted the performance. Furthermore, at 300 ms after the onset of the vibrotactile sample stimulus, there was a significant correlation between the deteriorating effects of sp-TMS over the contralateral SI and the contralateral DLPFC. These results imply that the DLPFC and the bilateral SIs play causal roles at distinctive stages during cross-modal working memory, while the contralateral DLPFC communicates with the contralateral SI in the early delay, and cooperates with the ipsilateral SI in the late delay. Copyright © 2018 Elsevier B.V. All rights reserved.

High-fluence Ga-implanted silicon-The effect of annealing and cover layers

NASA Astrophysics Data System (ADS)

Fiedler, J.; Heera, V.; Hübner, R.; Voelskow, M.; Germer, S.; Schmidt, B.; Skorupa, W.

2014-07-01

The influence of SiO2 and SiNx cover layers on the dopant distribution as well as microstructure of high fluence Ga implanted Si after thermal processing is investigated. The annealing temperature determines the layer microstructure and the cover layers influence the obtained Ga profile. Rapid thermal annealing at temperatures up to 750 °C leads to a polycrystalline layer structure containing amorphous Ga-rich precipitates. Already after a short 20 ms flash lamp annealing, a Ga-rich interface layer is observed for implantation through the cover layers. This effect can partly be suppressed by annealing temperatures of at least 900 °C. However, in this case, Ga accumulates in larger, cone-like precipitates without disturbing the surrounding Si lattice parameters. Such a Ga-rich crystalline Si phase does not exist in the equilibrium phase diagram according to which the Ga solubility in Si is less than 0.1 at. %. The Ga-rich areas are capped with SiOx grown during annealing which only can be avoided by the usage of SiNx cover layers.

Correlations Between Structural and Magnetic Properties of Co2 FeSi Heusler-Alloy Thin Films

NASA Astrophysics Data System (ADS)

Zhu, Weihua; Wu, Di; Zhao, Bingcheng; Zhu, Zhendong; Yang, Xiaodi; Zhang, Zongzhi; Jin, Q. Y.

2017-09-01

The structural and magnetic properties are the most important parameters for practical applications of Co-based Heusler alloys. The correlations between the crystallization degree, chemical order, magnetic coercivity, saturation magnetization (MS ), and in-plane magnetic anisotropies are systematically investigated for Co2FeSi (CFS) films fabricated at different temperatures (TS ). XRD shows that the CFS layer changes progressively from a disordered crystal structure into a chemically disordered A 2 structure and further into a chemically ordered B 2 and even L 21 structures when increasing TS up to 480 °C . Meanwhile, the static angular remanence magnetization curves show a clear transition of magnetic anisotropy from twofold to fourfold symmetry, due to the competition effect between the uniaxial anisotropy field HU and biaxial anisotropy field HB . The HU value is found to be weakly dependent on TS , while HB shows a continuous enhancement at TS>300 °C , implying that the enhancement of the L 21 ordering degree would not weaken the biaxial anisotropy. The varying trend of HB is similar to MS , which can be respectively attributed to the improved crystal structure and chemical order. The anisotropic fields and their variation behaviors determined by a vibrating sample magnetometer are highly consistent with the results by a time-resolved magneto-optical Kerr effect study. Our findings provide a better understanding of the structural ordering and magnetic anisotropy, which will be helpful for designing advanced spintronic devices.

Molecular dynamics simulations of plasma-surface interactions

NASA Astrophysics Data System (ADS)

Vegh, Joseph James

Molecular dynamics (MD) simulations are carried out to examine the fundamental mechanisms of plasma-surface interactions for various systems of interest to the semiconductor industry. These include ion and radical bombardment simulations of silicon, model low-k dielectric materials, and hydrocarbon (HC) based model photoresist materials. Simulations of fluorocarbon (FC), fluorine, and argon ion etching of silicon are conducted to find conditions under which the steady state etch of Si in the presence of a FC surface layer occurs. By varying the FC/F/Ar + ratios over a range of conditions, a correlation between FC layer thickness and Si etch yield (EY) is obtained that agrees qualitatively with experimentally observed trends. Further examination of this system allows for a Si etch mechanism to be proposed. This mechanism is similar to that seen in previous Si etching simulations where FC films do not form. The FC layer is observed to fluctuate in thickness during steady state Si etch, as the result of competition between FC deposition and sputtering of relatively large (> 6 C atoms) FC clusters during Ar+ impacts. This cluster ejection process is seen in all of the systems studied, and the properties of these clusters (composition, size, kinetic energy, etc.) are examined and catalogued. Ar+ and H radical and ion bombardment of a methylated Si surface is simulated as a model of plasma etching of low-k dielectric materials. The mechanisms and product distributions observed for 300 K H radical bombardment agree well with experiment. The etch characteristics of Ar+ bombardment are examined as a function of ion energy, and the corresponding variations in surface structure at high ion fluence are characterized. Various HC polymer surfaces are studied under ion and radical bombardment to examine plasma species interactions with model photoresist materials. Simulations of 100 eV Ar+ bombardment of polystyrene (PS), poly(4-methylstyrene) (P4MS), and poly(alpha-methylstyrene) (PalphaMS) show that for all of these materials (which have similar chemical compositions: PS: (C8H 8)x, PalphaMS and P4MS: (C9H 10)x), a densely crosslinked, dehydrogenated damaged layer forms at high ion fluences that greatly reduces the sputter yield of the material. During the initial transient period of bombardment, PalphaMS shows sputter yields nearly twice as high as P4MS or PS; polymer structure can play a role during the early stages of etch. Both the initial and high fluence etch characteristics match those observed experimentally. Further, fluctuations from cell-to-cell are much higher for the PalphaMS simulations, which may correlate to the increased roughening observed experimentally for PalphaMS. Additional simulations are carried out to examine the effects of H and F radical addition during Ar+ bombardment of PS. Both radical species are shown to inhibit and/or reverse the formation of the dehydrogenated layer that forms during bombardment with Ar+ alone. Further studies examine the effect of inert ion mass through simulations of Ar +, Xe+, and He+ bombardment of PS, amorphous C, and nanoscale features on diamond surfaces. The differences in penetration depth, kinetic energy deposition, and scattering patterns are suggestive of the differing etch characteristics that are seen experimentally for these ions. A discussion of dangling bond formation during ion bombardment and longer time-scale dynamics is also offered. A brief review of currently available potential energy functions is presented. Selected results from MD simulations that utilize some of these potentials and are closely related to the work in this dissertation are also discussed. The difficulties of expanding potential energy functions vis-a-vis commonly used ab initio quantum chemical calculations are also addressed.

Excellent Brightness with Shortening Lifetime of Textured Zn2SiO4:Mn2+ Phosphor Films on Quartz Glass

NASA Astrophysics Data System (ADS)

Park, Jehong; Park, Kwangwon; Lee, Jaebum; Kim, Jongsu; Kim, Seongsin Margaret; Kung, Patrick

2010-04-01

Green-emissive textured Zn2SiO4:Mn2+ phosphor films were fabricated by the thermal diffusion of ZnO:Mn on quartz glass. The Zn2SiO4:Mn2+ phosphor films became textured along several hexagonal directions and their chemical composition was continuously graded at the interface. The decay time of Mn2+ was as short as 4.4 ms, and the optical transition probability of the films defined as the inverse of decay time showed a strong correlation with film texture degree as a function of annealing temperature. The brightest Zn2SiO4:Mn2+ film showed a photoluminescent brightness as high as 65% compared with a commercial Zn2SiO4:Mn2+ phosphor powder screen and a maximum absolute transparency of 70%. These excellent optical properties are explained by the combination of the unique textured structure and continuous grading of the Zn2SiO4:Mn2+ chemical composition at the interface.

Preparation of Fe3O4/SiO2-guanidine organobase catalyst for 1,5-diphenylpenta-2,4-dien-1-one synthesis

NASA Astrophysics Data System (ADS)

Cahyana, A. H.; Fitria, D.; Ardiansah, B.; Rahayu, D. U. C.

2017-04-01

A novel heterogeneous organobase catalyst of Fe3O4/SiO2-guanidine was prepared in three stages. First, Fe3O4 nanoparticle was obtained by co-precipitation method using seaweed Sargassum Sp. as natural reductant. Fe3O4 was then coated by SiO2 using TEOS as silica source, resulting Fe3O4/SiO2. Finally, Fe3O4/SiO2-Guanidine was obtained by modifying Fe3O4/SiO2 with guanidine in the suitable reaction condition. This organobase catalyst was characterized by Scanning Electron Microscope (SEM), Energy Dispersive X-ray Spectroscopy (EDS), and Particle Size Analyzer (PSA). The material was then used as a highly active catalyst in aldol condensation reaction between acetophenone and cinnamaldehyde to produce 1,5-diphenylpenta-2,4-dien-1-one. The structure elucidation of the organic product was confirmed by UV-Vis, FTIR, and LC-MS.

Density-lag anomaly patterns in backshore sands along a paraglacial barrier spit

NASA Astrophysics Data System (ADS)

Pupienis, Donatas; Buynevich, Ilya; Jarmalavičius, Darius; Fedorovič, Julija; Žilinskas, Gintautas; Ryabchuk, Daria; Kovaleva, Olga; Sergeev, Alexander; Cichon-Pupienis, Anna

2016-04-01

The Curonian Spit, located along the southeast Baltic Sea coast, is one of the longest paraglacial mega-barriers in the world (~100 km) and is characteried by microtidal sandy beaches and unbroken foredune ridge emplaced by human activities in historical times. Both are dominated by quartzo-feldpathic sand, with various fractions of heavy minerals that may be concentrated as density lag. Such heavy-mineral concentrations (HMCs) may be distributed weither randomly or regularly along the coast, depending on the geological framework, hydro-aeolian processes, and human activities (e.g., steel elements of coastal engineering structures, military installations, etc.). In this study, we focus on the longshore patterns in HMC distribution and relative magnitude (mainly the concentration of ferrimagnetic components). Along the entire Curonian Spit coast (Russia-Lithuania), a total of 184 surface sand samples were collected at 1 km interval from the berm and foredune toe (seaward base). HMCs were characterized in the laboratory using bulk low-field magnetic susceptibility (MS). The Wavelength and Lomb spectral analysis were used to assess the spatial rhythmicity of their longshore distribution. Generally, quartz sand is characterised by low MS values of ĸ<50 μSI, whereas higher values ĸ>150 μSI are typical for heavy mineral-rich sand. MS values on the berm and foredune toe range from 11.2-4977.9 μSI and from 9.2-3153.0 μSI, respectively. Density lag anomalies had MS values exceeding an average value by ≥3 times. Wavelength and Lomb spectral analysis allowed to identify several clusters of periodicities with wavelength varying from 2-12 km, with power spectra having statistically significant values (>95 % CI). Along the modern Curonian Spit coast, two scales of rhythmic pattern variation are evident: macroscale (≤12 km) and mesoscale (2-3 km). The former can be attributed to localized expressions of geological framework (iron-rich components) and engineering structures (especially within the southern part of the spit), whereas the mesoscale patterns reflect spatial distribution of short-term hydro-aeolian forcing (erosional-accretionary cells) that may shift temporally. This research was supported by Lithuanian Science Council (Grant No. MIP-039/2014), the Internationalization Program Award, Temple University and Russian Scientific Fund (Grant No. 14-37-00047).

Enabling direct silicene integration in electronics: First principles study of silicene on NiSi 2(111)

DOE PAGES

Cheng, Jian -Yih; Chan, Maria K. Y.; Lilley, Carmen M.

2016-09-26

Silicene on metal silicides poses promise for direct integration of silicene into electronic devices. The details of the metal silicide-silicene interface, however, may have significant effects on the electronic properties. In this work, the electronic properties of silicene on NiSi 2(111) and hydrogenated NiSi 2(111) (H:NiSi 2) substrates, as well as hydrogenated silicene (H:silicene) on a NiSi 2(111) substrate, were simulated using first principles methods. The preferred Si surface termination of NiSi 2 was determined through surface energy calculations, and the band structure and density of states (DOS) were calculated for the two-dimensional silicene and H:silicene layers. Hydrogenating NiSi 2more » lowered the binding energy between silicene and the substrate and resulting in partial decoupling of the electronic properties. Relaxed silicene on H:NiSi 2 showed a small band gap opening of 0.14 eV. Silicene on H:NiSi 2 also had a calculated electron effective mass of 0.08m 0 and Fermi velocity of 0.39×10 6 m/s, which are similar to the values for freestanding silicene. H:silicene on NiSi 2 retained its band structure and DOS compared to freestanding H:silicene. The band gap of H:silciene on NiSi 2 was 1.97 eV and is similar to freestanding H:silicene band gap of 2 eV. As a result, this research showed that hydrogenation may be a viable method for decoupling a silicene layer from a NiSi 2(111) substrate to tune its electronic properties.« less

Iron meteorite fragment studied by atomic and nuclear analytical methods

NASA Astrophysics Data System (ADS)

Cesnek, Martin; Štefánik, Milan; Kmječ, Tomáš; Miglierini, Marcel

2016-10-01

Chemical and structural compositions of a fragment of Sikhote-Alin iron meteorite were investigated by X-ray fluorescence analysis (XRF), neutron activation analysis (NAA) and Mössbauer spectroscopy (MS). XRF and NAA revealed the presence of chemical elements which are characteristic for iron meteorites. XRF also showed a significant amount of Si and Al on the surface of the fragment. MS spectra revealed possible presence of α-Fe(Ni, Co) phase with different local Ni concentration. Furthermore, paramagnetic singlet was detected in Mössbauer spectra recorded at room temperature and at 4.2 K.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ray, Sekhar C., E-mail: raysc@unisa.ac.za; Mishra, D. K.; Department of Physics, Institute of Technical Research and Education, Siksha ‘O’ Anusandhan University, Khandagiri Square, Bhubaneswar 751030, Odisha

The electronic structures and magnetic properties of graphene nanoflakes (GNFs) exposed to an organo-silane precursor [tetra-methyl-silane, Si(CH{sub 3}){sub 4}] were studied using atomic force microscopy, electron field emission (EFE), x-ray photoelectron spectroscopy (XPS), and magnetization. The result of XPS indicates that silyl radical based strong covalent bonds were formed in GNFs, which induced local structural relaxations and enhanced sp{sup 3} hybridization. The EFE measurements show an increase in the turn-on electric field from 9.8 V/μm for pure GNFs to 26.3 V/μm for GNFs:Si having highest Si/(Si + C) ratio ( ≅ 0.35) that also suggests an enhancement of the non-metallic sp{sup 3} bonding in the GNFsmore » matrix. Magnetic studies show that the saturation magnetization (Ms) is decreased from 172.53 × 10{sup −6} emu/g for pure GNFs to 13.00 × 10{sup −6} emu/g for GNFs:Si with the highest Si/(Si + C) ratio 0.35, but on the other side, the coercivity (Hc) increases from 66 to 149 Oe due to conversion of sp{sup 2} → sp{sup 3}-hybridization along with the formation of SiC and Si-O bonding in GNFs. The decrease in saturation magnetization and increase in coercivity (Hc) in GNFs on Si-functionalization are another routes to tailor the magnetic properties of graphene materials for magnetic device applications.« less

Evaluation of Margins of Safety in Brazed Joints

NASA Technical Reports Server (NTRS)

Flom, Yury; Wang, Len; Powell, Mollie M.; Soffa, Matthew A.; Rommel, Monica L.

2009-01-01

One of the essential steps in assuring reliable performance of high cost critical brazed structures is the assessment of the Margin of Safety (MS) of the brazed joints. In many cases the experimental determination of the failure loads by destructive testing of the brazed assembly is not practical and cost prohibitive. In such cases the evaluation of the MS is performed analytically by comparing the maximum design loads with the allowable ones and incorporating various safety or knock down factors imposed by the customer. Unfortunately, an industry standard methodology for the design and analysis of brazed joints has not been developed. This paper provides an example of an approach that was used to analyze an AlBeMet 162 (38%Be-62%Al) structure brazed with the AWS BAlSi-4 (Al-12%Si) filler metal. A practical and conservative interaction equation combining shear and tensile allowables was developed and validated to evaluate an acceptable (safe) combination of tensile and shear stresses acting in the brazed joint. These allowables are obtained from testing of standard tensile and lap shear brazed specimens. The proposed equation enables the assessment of the load carrying capability of complex brazed joints subjected to multi-axial loading.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lian, Suoyuan; School of Chemical Engineering and Materials, Dalian Polytechnic University, Dalian 116034; Tsang, Chi Him A.

Graphical abstract: H-SiNWs can catalyze hydroxylation of benzene and degradation of methyl red under visible light irradiation. Highlights: Black-Right-Pointing-Pointer Hydrogen-terminated silicon nanowires were active photocatalyst in the hydroxylation of benzene under light. Black-Right-Pointing-Pointer Hydrogen-terminated silicon nanowires were also effective in the decomposition of methyl red dye. Black-Right-Pointing-Pointer The Si/SiO{sub x} core-shell structure is the main reason of the obtained high selectivity during the hydroxylation. -- Abstract: Hydrogen-terminated silicon nanowires (H-SiNWs) were used as heterogeneous photocatalysts for the hydroxylation of benzene and for the decomposition of methyl red under visible light irradiation. The above reactions were monitored by GC-MS and UV-Vismore » spectrophotometry, respectively, which shows 100% selectivity for the transformation of benzene to phenol. A complete decomposition of a 2 Multiplication-Sign 10{sup -4} M methyl red solution was achieved within 30 min. The high selectivity for the hydroxylation of benzene and the photodecomposition demonstrate the catalytic activity of ultrafine H-SiNWs during nanocatalysis.« less

High-fluence Ga-implanted silicon—The effect of annealing and cover layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fiedler, J., E-mail: jan.fiedler@hzdr.de; Heera, V.; Hübner, R.

2014-07-14

The influence of SiO{sub 2} and SiN{sub x} cover layers on the dopant distribution as well as microstructure of high fluence Ga implanted Si after thermal processing is investigated. The annealing temperature determines the layer microstructure and the cover layers influence the obtained Ga profile. Rapid thermal annealing at temperatures up to 750 °C leads to a polycrystalline layer structure containing amorphous Ga-rich precipitates. Already after a short 20 ms flash lamp annealing, a Ga-rich interface layer is observed for implantation through the cover layers. This effect can partly be suppressed by annealing temperatures of at least 900 °C. However, in this case,more » Ga accumulates in larger, cone-like precipitates without disturbing the surrounding Si lattice parameters. Such a Ga-rich crystalline Si phase does not exist in the equilibrium phase diagram according to which the Ga solubility in Si is less than 0.1 at. %. The Ga-rich areas are capped with SiO{sub x} grown during annealing which only can be avoided by the usage of SiN{sub x} cover layers.« less

Modeling and Simulation of Ceramic Arrays to Improve Ballaistic Performance

DTIC Science & Technology

2013-10-01

are modeled using SPH elements. Model validation runs with monolithic SiC tiles are conducted based on the DoP experiments described in reference...TERMS ,30cal AP M2 Projectile, 762x39 PS Projectile, SPH , Aluminum 5083, SiC, DoP Expeminets, AutoDyn Simulations, Tile Gap 16. SECURITY...range 700 m/s to 1000 m/s are modeled using SPH elements. □ Model validation runs with monolithic SiC tiles are conducted based on the DoP

Stress-induced magnetization for epitaxial spinel ferrite films through interface engineering

NASA Astrophysics Data System (ADS)

Wakiya, Naoki; Shinozaki, Kazuo; Mizutani, Nobuyasu

2004-08-01

This study found "stress-induced magnetization" for epitaxial ferrite films with spinel structure. We grew (111)- and (001)-epitaxial Ni0.17Zn0.23Fe2.60O4(NZF) films on CeO2/Y0.15Zr0.85O1.93(YSZ )/Si(001) and oxide single-crystal substrates, respectively. There is a window of lattice mismatch (between 0 and 6.5%) to achieve bulk saturation magnetization (Ms). An NZF film grown on CeO2/YSZ //Si(001) showed tensile stress, but that stress was relaxed by introducing a ZnCo2O4(ZC ) buffer layer. NZF films grown on SrTiO3(ST )(001) and (La,Sr)(Al,Ta)O3(LSAT)(001) had compressive stress, which was enhanced by introducing a ZC buffer layer. In both cases, bulk Ms was achieved by introducing the ZC buffer layer. This similarity suggests that magnetization can be controlled by the stress.

An accurate MOS measurement procedure for work function difference in the Al/SiO 2/Si system

NASA Astrophysics Data System (ADS)

Krautschneider, W. H.; Laschinski, J.; Seifert, W.; Wagemann, H. G.

1986-05-01

Determination of Al/Si work function difference φMS is achieved by means of capacitance measurements of differently manufactured MOS varactors (Al/SiO 2/ n-Si) with variable oxide thickness ("step varactor"). For the φMS evaluation the influences of interface (fQ it) and oxide (ifQ f) charges have been considered, and models of their charges and dipole behaviour are described. Midgap band bending has been chosen as best condition for the evaluation of ΦMSO as basic amount of work function difference with negligible interference of Qit. Plots of Φ MSvs ψS for numerous specimens indicate that, usually, dipole voltage ΔΦ is closely connected to ΦMS within the voltage drop across the MOS varactor according to ΦMS = ΦMSO + qΔΦ. For the evaluation of dipole voltage ΔΦ models of charge density Qit within interface states are presented which assume dominating donor or acceptor states within the two halves of the band gap. Corrections of impurity homogeneity across the wafer and of impurity profile into the depth of the chips are considered. For the work function difference extrapolated to intrinsic density, ΦMSO = (-0.26 ± 0.05) eV holds. Additionally from midgap through inversion of n-Si, dipole voltage was observed ( ΔΦ = 0.015 V) which was caused by interface states and oxide charge 3 nm apart from one another.

Criteria for improved open-circuit voltage in a-Si :H(N)/c-Si(P) front heterojunction with intrinsic thin layer solar cells

NASA Astrophysics Data System (ADS)

Nath, Madhumita; Chatterjee, P.; Damon-Lacoste, J.; Roca i Cabarrocas, P.

2008-02-01

Hydrog enated amorphous/crystalline silicon "heterojunction with intrinsic thin layer (HIT)" solar cells have gained popularity after it was demonstrated by Sanyo that they can achieve stable conversion efficiencies, as high as crystalline silicon (c-Si) cells, but where the cost may be reduced with the help of amorphous silicon (a-Si:H) low temperature deposition technology. In this article, we study N-a-Si :H/P-c-Si front HIT structures, where light enters through the N-a-Si :H layer. The aim is to examine ways of improving the open-circuit voltage, using computer modeling in conjunction with experiments. We also assess under which conditions such improvements in Voc actually occur. Modeling indicates that for a density of states Nss⩾1013cm-2 on the surface of the P-c-Si wafer facing the emitter layer, Voc is entirely limited by this parameter and is lower than 0.5V. We also learn that it is possible to increase the Voc to ˜0.73V by reducing this defect density to ˜1010cm-2, by reducing the surface recombination speed of the electrons at the back P-c-Si/aluminum contact (SnL), and by improving the lifetime of the carriers (τ ) in the P-c-Si wafer to ˜5ms. Modeling further indicates that when τ ⩽0.1ms, the sensitivity of Voc to SnL vanishes, as very few back-diffusing electrons can reach the back contact. Improvements in Voc by decreasing both the defect density on the surface of the P-c-Si wafer facing the emitter layer and SnL have been achieved in practice by (a) improved passivation thanks to a thin intrinsic polymorphous silicon layer deposited on the c-Si wafer (instead of a-Si :H) and (b) using localized aluminum and back surface field layers to attain a lower SnL. Experimentally, a Voc of 0.675V has already been attained. Simulations indicate that the lifetime of carriers inside the P-c-Si wafer of these cells is ˜366μs and needs to be improved to achieve a higher Voc.

Role of SiO2 coating in multiferroic CoCr2O4 nanoparticles

NASA Astrophysics Data System (ADS)

Kamran, M.; Ullah, Asmat; Mehmood, Y.; Nadeem, K.; Krenn, H.

2017-02-01

Effect of silica (SiO2) coating concentration on structural and magnetic properties of multiferroic cobalt chromite (CoCr2O4) nanoparticles have been studied. The nanoparticles with average crystallite size in the range 19 to 28 nm were synthesised by sol-gel method. X-ray diffraction (XRD) analysis has verified the composition of single-phase cubic normal spinel structure of CoCr2O4 nanoparticles. The average crystallite size and cell parameter decreased with increasing SiO2 concentration. TEM image revealed that the shape of nanoparticles was non-spherical. Zero field cooled/field cooled (ZFC/FC) curves revealed that nanoparticles underwent a transition from paramagnetic (PM) state to collinear short-range ferrimagnetic (FiM) state, and this PM-FiM transition temperature decreased from 101 to 95 K with increasing SiO2 concentration or decreasing crystallite size. A conical spin state at Ts = 27 K was also observed for all the samples which decreased with decreasing average crystallite size. Low temperature lock-in transition was also observed in these nanoparticles at 12 K for uncoated nanoparticles which slightly shifted towards low temperature with decreasing average crystallite size. Saturation magnetization (Ms) showed decreasing trend with increasing SiO2 concentration, which was due to decrease in average crystallite size of nanoparticles and enhanced surface disorder in smaller nanoparticles. The temperature dependent AC-susceptibility also showed the decrease in the transition temperature (Tc), broadening of the Tc peak and decrease in magnetization with increasing SiO2 concentration or decreasing average crystallite size. In summary, the concentration of SiO2 has significantly affected the structural and magnetic properties of CoCr2O4 nanoparticles.

Mass Spectrometric Investigation of Silicon Extremely Enriched in (28)Si: From (28)SiF4 (Gas Phase IRMS) to (28)Si Crystals (MC-ICP-MS).

PubMed

Pramann, Axel; Rienitz, Olaf

2016-06-07

A new generation of silicon crystals even further enriched in (28)Si (x((28)Si) > 0.999 98 mol/mol), recently produced by companies and institutes in Russia within the framework of a project initiated by PTB, were investigated with respect to their isotopic composition and molar mass M(Si). A modified isotope dilution mass spectrometric (IDMS) method treating the silicon as the matrix containing a so-called virtual element (VE) existing of the isotopes (29)Si and (30)Si solely and high resolution multicollector inductively coupled plasma mass spectrometry (MC-ICP-MS) were applied in combination. This method succeeds also when examining the new materials holding merely trace amounts of (29)Si (x((29)Si) ≈ 5 × 10(-6) mol/mol) and (30)Si (x((30)Si) ≈ 7 × 10(-7) mol/mol) extremely difficult to detect with lowest uncertainty. However, there is a need for validating the enrichment in (28)Si already in the precursor material of the final crystals, silicon tetrafluoride (SiF4) gas prior to crystal production. For that purpose, the isotopic composition of selected SiF4 samples was determined using a multicollector magnetic sector field gas-phase isotope ratio mass spectrometer. Contaminations of SiF4 by natural silicon due to storing and during the isotope ratio mass spectrometry (IRMS) measurements were observed and quantified. The respective MC-ICP-MS measurements of the corresponding crystal samples show-in contrast-several advantages compared to gas phase IRMS. M(Si) of the new crystals were determined to some extent with uncertainties urel(M) < 1 × 10(-9). This study presents a clear dependence of the uncertainty urel(M(Si)) on the degree of enrichment in (28)Si. This leads to a reduction of urel(M(Si)) during the past decade by almost 3 orders of magnitude and thus further reduces the uncertainty of the Avogadro constant NA which is one of the preconditions for the redefinition of the SI unit kilogram.

Thickness dependencies of structural and magnetic properties of cubic and tetragonal Heusler alloy bilayer films

NASA Astrophysics Data System (ADS)

Ranjbar, R.; Suzuki, K. Z.; Sugihara, A.; Ando, Y.; Miyazaki, T.; Mizukami, S.

2017-07-01

The thickness dependencies of the structural and magnetic properties for bilayers of cubic Co-based Heusler alloys (CCHAs: Co2FeAl (CFA), Co2FeSi (CFS), Co2MnAl (CMA), and Co2MnSi (CMS)) and D022-MnGa were investigated. Epitaxy of the B2 structure of CCHAs on a MnGa film was achieved; the smallest thickness with the B2 structure was found for 3-nm-thick CMS and CFS. The interfacial exchange coupling (Jex) was antiferromagnetic (AFM) for all of the CCHAs/MnGa bilayers except for unannealed CFA/MnGa samples. A critical thickness (tcrit) at which perpendicular magnetization appears of approximately 4-10 nm for the CMA/MnGa and CMS/MnGa bilayers was observed, whereas this thickness was 1-3 nm for the CFA/MnGa and CFS/MnGa films. The critical thickness for different CCHAs materials is discussed in terms of saturation magnetization (Ms) and the Jex .

Boosting the optical performance and commutation speed of phototransistor using SiGe/Si/Ge tunneling structure

NASA Astrophysics Data System (ADS)

Ferhati, H.; Djeffal, F.

2018-06-01

In this paper, a new optically controlled tunneling field effect transistor (OC-TFET) based on SiGe/Si/Ge hetero-channel is proposed to improve optical commutation speed and reduce power consumption. An exhaustive study of the device switching behavior associated with different hetero-channel structures has been carried out using an accurate numerical simulation. Moreover, a new figure of Merit (FoM) parameter called optical swing factor that describes the phototransistor optical commutation speed is proposed. We demonstrate that the band-to-band tunneling effect can be beneficial for improving the device optical commutation speed. The impact of the Ge mole fraction of the SiGe source region on the device FoMs is investigated. It is found that the optimized design with 40% of Ge content offers the opportunity to overcome the trade-off between ultrafast and very sensitive photoreceiver performance, where it yields 48 mV/dec of optical swing factor and 155 dB of I ON /I OFF ratio. An overall performance comparison between the proposed OC-TFET device and the conventional designs is performed, where the proposed structure ensures high optical detectivity for very low optical powers (sub-1pW) as compared to that of the conventional counterparts. Therefore, the proposed OC-TFET provides the possibility for bridging the gap between improved optical commutation speed and reduced power consumption, which makes it a potential alternative for high-performance inter-chip data communication applications.

Effect of nanocomposite synthesis on the combustion performance of a ternary thermite.

PubMed

Prentice, Daniel; Pantoya, Michelle L; Clapsaddle, Brady J

2005-11-03

Nanocomposite thermites are attractive materials for their diverse applications from metallurgy to ordnance technologies. While there are a plethora of combinations of fuel and oxidizers, this work shows that the composite's overall performance is intimately tied to how the fuel and oxidizer are prepared and combined. Comparison of the combustion velocities of two separate ternary mixtures of Al-Fe(2)O(3)-SiO(2), one prepared in situ using sol-gel processing and the other prepared by physically mixing discrete nanoscale particles, demonstrated different burning behaviors as a result of preparation technique. The stoichiometry of the two sets of thermite was varied to examine the influence of SiO(2) on combustion velocity as a means to control the reaction behavior. For pure Fe(2)O(3) + Al reactions, results show that the sol-gel synthesized materials (40 m/s) exhibit increased velocities over the physically mixed materials (9 m/s) by approximately 4 times. This trend is not observed, however, upon addition of SiO(2) to the thermite mixture; ternary thermites with 40 wt % SiO(2) showed decreased burn velocities of 0.02 m/s for sol-gel prepared thermites compared to 0.2 m/s for their physically mixed counterparts. The observed trends are believed to be caused by the unique mixing between the Fe(2)O(3) and SiO(2) phases resulting from the two synthesis techniques.

Silicon Promotes Exodermal Casparian Band Formation in Si-Accumulating and Si-Excluding Species by Forming Phenol Complexes

PubMed Central

Hinrichs, Martin; Specht, André; Waßmann, Friedrich; Schreiber, Lukas; Schenk, Manfred K.

2015-01-01

We studied the effect of Silicon (Si) on Casparian band (CB) development, chemical composition of the exodermal CB and Si deposition across the root in the Si accumulators rice and maize and the Si non-accumulator onion. Plants were cultivated in nutrient solution with and without Si supply. The CB development was determined in stained root cross-sections. The outer part of the roots containing the exodermis was isolated after enzymatic treatment. The exodermal suberin was transesterified with MeOH/BF3 and the chemical composition was measured using gas chromatography-mass spectroscopy (GC-MS) and flame ionization detector (GC-FID). Laser ablation-inductively coupled plasma-mass spectroscopy (LA-ICP-MS) was used to determine the Si deposition across root cross sections. Si promoted CB formation in the roots of Si-accumulator and Si non-accumulator species. The exodermal suberin was decreased in rice and maize due to decreased amounts of aromatic suberin fractions. Si did not affect the concentration of lignin and lignin-like polymers in the outer part of rice, maize and onion roots. The highest Si depositions were found in the tissues containing CB. These data along with literature were used to suggest a mechanism how Si promotes the CB development by forming complexes with phenols. PMID:26383862

Fabrication of single crystalline stripe in Si and Ge film on rolled flexible glass substrate by UV cw micro-chevron laser beam

NASA Astrophysics Data System (ADS)

Yeh, Wenchang

2017-08-01

Micro chevron laser beam annealing (μCLBA) of Si film and Ge film were introduced. Single crystal stripe with a dimension of several tens to hundreds μm in length and 3-8μm in width was formed in Si film or Ge film by scanning μCLBA over the film. Main boundaries in the c-Si stripe were Σ3 CSL twin boundary. Scanning speed of micro linear laser beam annealing (μLLBA) was varied from 0.05 m/s to 8m/s to investigate its influence to crystallinity. Even at 8m/s lateral growth taken place, however, crystal quality was better for slower lateral growth. Crystallization area per energy (APE) of μLLBA was evaluated and compared with other methods. It was found APE of μLLBA was larger than other method, especially for a display with low fill factor of TFT, APE can be several orders of magnitude larger.

Fabrication of a high selectivity magnetic solid phase extraction adsorbent based on β-cyclodextrin and application for recognition of plant growth regulators.

PubMed

Chen, Jiuyan; Cao, Shurui; Zhu, Ming; Xi, Cunxian; Zhang, Lei; Li, Xianliang; Wang, Guomin; Zhou, Yuantao; Chen, Zhiqiong

2018-04-27

An adsorbent, consisting of silica-coated Fe 3 O 4 grafted graphene oxide and β-cyclodextrin (Fe 3 O 4 @SiO 2 /GO/β-CD), which possessed the merits of antioxidation, superparamagnetism, high surface area, high supramolecular recognition and environment friendly, was successfully fabricated. Considering the synergy between β-CD and graphene oxide in adsorption mechanism, the synthesized adsorbent could grasp compounds especially with aromatic structures through π-π interaction, hydrophobic interaction and host-guest inclusion complex forming. Based on the advantages, a magnetic solid phase extraction (MSPE) method for 9 PGRs using Fe 3 O 4 @SiO 2 /GO/β-CD as adsorbents was developed in this study. The characterizations of Fe 3 O 4 @SiO 2 /GO/β-CD were performed on Fourier transform infrared spectrometry (FT-IR), X-ray photoelectron spectroscopy (XPS), CHNS/O elemental analyzer, scanning electron microscopy (SEM) and vibrating sample magnetometry (VSM). Under the optimal MSPE condition, the Fe 3 O 4 @SiO 2 /GO/β-CD exhibited selectivity capability toward 9 PGRs when compared with Fe 3 O 4 @SiO 2 /GO. Meanwhile, the selectivity capability of Fe 3 O 4 @SiO 2 /GO/β-CD was higher than that of Fe 3 O 4 @SiO 2 /GO/α-CD except for 4-FPA. When the developed MSPE procedure was coupled with ultra-high performance liquid chromatography-triple quadrupole linear ion trap mass spectrometry (UHPLC-QTrap-MS/MS) to quantitative analysis of 9 PGRs, linearities ranging from 2 to 50 μg/kg were achieved for 9 PGRs with the correlation coefficients (r 2 ) in the range of 0.9975-0.9999. The limits of detection (LODs) for 9 analytes varied from 0.04 to 0.29 μg/kg. Finally, the proposed technique was applied to analyze PGRs residues in mutiple vegetable samples. Copyright © 2018 Elsevier B.V. All rights reserved.

Tip-Enhanced Photoinduced Electron Transfer and Ionization on Vertical Silicon Nanowires.

PubMed

Chen, Xiaoming; Wang, Tao; Lin, Leimiao; Wo, Fangjie; Liu, Yaqin; Liang, Xiao; Ye, Hui; Wu, Jianmin

2018-05-02

Nanostructured semiconductors are one of the most potent candidates for matrix-free laser desorption/ionization mass spectrometric (LDI-MS) analysis of low-molecular-weight molecules. Herein, the enhanced photoinduced electron transfer and LDI on the tip of a vertical silicon nanowire (SiNW) array were investigated. Theoretical simulation and LDI detection of indigo and isatin molecules in negative ion mode revealed that the electric field can be enhanced on the tip end of SiNWs, thereby promoting the energy and electron transfer to the analytes adsorbed on the tip of SiNWs. On the basis of this finding, a tip-contact sampling method coupled with LDI-MS detection was established. In this strategy, the tip of SiNWs can be regarded as microextraction heads for the sampling of molecules when they come in contact with analytes. Impression of skin, tissue, and pericarp on the vertical SiNW array can effectively transfer endogenous metabolites or exogenous substances onto the tip. Upon laser irradiation, the adsorbed molecules on the SiNW tip can be efficiently ionized and detected in negative ion mode because of the tip-enhanced electron transfer and LDI effect. We believe this work may significantly expand the application of LDI-MS in various fields.

Identification of metabolites of Si-Ni-San, a traditional Chinese medicine formula, in rat plasma and urine using liquid chromatography/diode array detection/triple-quadrupole spectrometry.

PubMed

Yan, Zhixiang; Chen, Ying; Li, Tianxue; Zhang, Jie; Yang, Xinghao

2012-02-15

Si-Ni-San (SNS) is a widely used traditional Chinese medicine formula (TCMF) in treating various diseases. However, the in vivo integrated metabolism of its multiple components remains unknown. In this paper, a liquid chromatography coupled with diode array detection and triple-quadrupole spectrometry (LC-DAD-MS/MS) method was developed for detection and identification of SNS metabolites in rat plasma and urine at a normal clinical dosage. Accurate structural elucidation was performed using MS/MS, UV data and n-octanol/water partition coefficient. Based on the proposed strategy, 36 absorbed compounds and 29 metabolites in plasma and 33 metabolites in urine were detected by a highly sensitive MRM method. Our results indicated that phase II reactions (e.g., methylation, glucuronidation and sulfation) were the main metabolic pathways of gallic acid and flavanones, while phase I reactions (e.g., hydroxylation) were the major metabolic reaction for triterpenoid saponins. The metabolite profile analysis of SNS provided a comprehensive understanding of the in vivo metabolic fates of constituents in SNS. Moreover, the results in this work demonstrated the present strategy based on the combination of chromatographic, spectrophotometric, mass-spectrometric, and software prediction to detect and identify metabolites was effective and reliable. And such a strategy may also be extended to investigate the metabolism of other TCMF. Copyright © 2011 Elsevier B.V. All rights reserved.

Physical processes of quartz amorphization due to friction

NASA Astrophysics Data System (ADS)

Nakamura, Y.; Muto, J.; Nagahama, H.; Miura, T.; Arakawa, I.; Shimizu, I.

2011-12-01

Solid state amorphization of minerals occurs in indentations, in shock experiments, and in high pressure metamorphic quartz rock. A production of amorphous material is also reported in experimentally created silicate gouges (Yund et al., 1990), and in San Andreas Fault core samples (Janssen et al., 2010). Rotary-shear friction experiments of quartz rocks imply dynamic weakening at seismic rates (Di Toro et al., 2004). These experiments have suggested that weakening is caused by formation and thixotropic behavior of a silica gel layer which comprises of very fine particles of hydrated amorphous silica on fault gouges (Goldsby & Tullis, 2002; Hayashi & Tsutsumi, 2010). Therefore, physical processes of amorphization are important to better understand weakening of quartz bearing rocks. In this study, we conducted a pin-on-disk friction experiment to investigate details of quartz amorphization (Muto et al, 2007). Disks were made of single crystals of synthetic and Brazilian quartz. The normal load F and sliding velocity V were ranged from 0.01 N to 1 N and from 0.01 m/s to 2.6 m/s, respectively. The friction was conducted using quartz and diamond pins (curvature radii of 0.2 ~ 3 mm) to large displacements (> 1000 m) under controlled atmosphere. We analyzed experiment samples by Raman spectroscopy and FT-IR. Raman spectroscopy (excitation wavelength 532.1 nm) provides lattice vibration modes, and was used to investigate the degree of amorphization of samples. Raman spectra of friction tracks on the disk show clear bands at wavenumbers of 126, 204, 356, 394, and 464 cm-1, characteristic of intact α-quartz. Remarkably, in experiments using diamond pins (F = 0.8 N, normal stress σr calculated by contact area = 293 ~ 440 MPa, V = 0.12 ~ 0.23 m/s), the bands at 204 and 464 cm-1 gradually broaden to reveal shoulders on the higher-wavenumber sides of these peaks. Especially, two distinguished peaks at 490 and 515 cm-1 and a weak broad peak at 606 cm-1 appear sporadically on the track after the slip distance of 43 m. The bands at 490 and 606 cm-1 can be assigned to the symmetric stretching of four-membered Si-O ring (D1 band) and planar three-membered Si-O ring (D2 band) in amorphous silica, respectively. The peak at 515 cm-1 corresponds to the strongest coesite A1 mode arising from four-membered Si-O ring structure. On the other hand, the bands at 464 cm-1 broaden to reveal a shoulder adjacent to the main peak in experiments using quartz pins (F = 1 N, σr = 1 MPa, V = 0.01 ~ 2.6 m/s) after a large displacement (>1000m). These results indicate that quartz change intermediate range structure of SiO2 network during friction, and four or three-membered Si-O rings gradually increase in six-membered quartz. The results of FT-IR analyses on friction tracks showed a broad peak at 3000 -3600 cm-1 which indicates the -OH symmetric stretching band of molecular H2O. It shows that hydration of quartz on friction tracks occur due to friction. The results of Raman spectroscopy and FT-IR imply that Si-O-Si bridging of strained rings preferentially react with water to form hydrated amorphous silica layer on friction surfaces, which is likely to occur weakening.

3.5 GHz longitudinal leaky surface acoustic wave resonator using a multilayered waveguide structure for high acoustic energy confinement

NASA Astrophysics Data System (ADS)

Kimura, Tetsuya; Kishimoto, Yutaka; Omura, Masashi; Hashimoto, Ken-ya

2018-07-01

In this paper, the use of a structure comprising a thin LiNbO3 plate and a multilayered acoustic mirror composed of SiO2 and Pt for high-performance longitudinal leaky surface acoustic wave (LLSAW) device is proposed. The mirror is expected to offer a much higher reflectivity than that composed of SiO2 and AlN, which the authors proposed previously. The field distribution of these structures is calculated by using a finite element method. It is shown that the acoustic wave energy of the proposed structure is well confined in the vicinity of the top surface, and that leakage to the substrate is reduced. A one-port resonator is fabricated on the structure and its performance characteristics are evaluated. Owing to a high phase velocity of 6,035 m/s, which is about 1.5 times higher than that of conventional SAWs, a large impedance ratio of 71 dB was achieved at 3.5 GHz in addition to a large fractional bandwidth of 9.5%.

Effect of nickel silicide gettering on metal-induced crystallized polycrystalline-silicon thin-film transistors

NASA Astrophysics Data System (ADS)

Kim, Hyung Yoon; Seok, Ki Hwan; Chae, Hee Jae; Lee, Sol Kyu; Lee, Yong Hee; Joo, Seung Ki

2017-06-01

Low-temperature polycrystalline-silicon (poly-Si) thin-film transistors (TFTs) fabricated via metal-induced crystallization (MIC) are attractive candidates for use in active-matrix flat-panel displays. However, these exhibit a large leakage current due to the nickel silicide being trapped at the grain boundaries of the poly-Si. We reduced the leakage current of the MIC poly-Si TFTs by developing a gettering method to remove the Ni impurities using a Si getter layer and natively-formed SiO2 as the etch stop interlayer. The Ni trap state density (Nt) in the MIC poly-Si film decreased after the Ni silicide gettering, and as a result, the leakage current of the MIC poly-Si TFTs decreased. Furthermore, the leakage current of MIC poly-Si TFTs gradually decreased with additional gettering. To explain the gettering effect on MIC poly-Si TFTs, we suggest an appropriate model. He received the B.S. degree in School of Advanced Materials Engineering from Kookmin University, Seoul, South Korea in 2012, and the M.S. degree in Department of Materials Science and Engineering from Seoul National University, Seoul, South Korea in 2014. He is currently pursuing the Ph.D. degree with the Department of Materials Science and Engineering, Seoul National University, Seoul. He is involved in semiconductor device fabrication technology and top-gate polycrystalline-silicon thin-film transistors. He received the M.S. degree in innovation technology from Ecol Polytechnique, Palaiseau, France in 2013. He is currently pursuing the Ph.D. degree with the Department of Materials Science and Engineering, Seoul National University, Seoul. He is involved in semiconductor device fabrication technology and bottom-gate polycrystalline-silicon thin-film transistors. He is currently pursuing the integrated M.S and Ph.D course with the Department of Materials Science and Engineering, Seoul National University, Seoul. He is involved in semiconductor device fabrication technology and copper-gate polycrystalline-silicon thin-film transistors. He is currently pursuing the integrated M.S and Ph.D course with the Department of Materials Science and Engineering, Seoul National University, Seoul. He is involved in semiconductor device fabrication technology and bottom-gate polycrystalline-silicon thin-film transistors. He is currently pursuing the integrated M.S and Ph.D course with the Department of Materials Science and Engineering, Seoul National University, Seoul. He is involved in semiconductor device fabrication technology and bottom-gate polycrystalline-silicon thin-film transistors. He received the B.S. degree in metallurgical engineering from Seoul National University, Seoul, South Korea, in 1974, and the M.S. and Ph.D. degrees in material science and engineering from Stanford University, Stanford, CA, USA, in 1980 and 1983, respectively. He is currently a Professor with the Department of Materials Science and Engineering, Seoul National University, Seoul.

Physical activity correlates with neurological impairment and disability in multiple sclerosis.

PubMed

Motl, Robert W; Snook, Erin M; Wynn, Daniel R; Vollmer, Timothy

2008-06-01

This study examined the correlation of physical activity with neurological impairment and disability in persons with multiple sclerosis (MS). Eighty individuals with MS wore an accelerometer for 7 days and completed the Symptom Inventory (SI), Performance Scales (PS), and Expanded Disability Status Scale. There were large negative correlations between the accelerometer and SI (r = -0.56; rho = -0.58) and Expanded Disability Status Scale (r = -0.60; rho = -0.69) and a moderate negative correlation between the accelerometer and PS (r = -0.39; rho = -0.48) indicating that physical activity was associated with reduced neurological impairment and disability. Such findings provide a preliminary basis for using an accelerometer and the SI and PS as outcome measures in large-scale prospective and experimental examinations of the effect of physical activity behavior on disability and dependence in MS.

Development of an Apparatus for High-Resolution Auger Photoelectron Coincidence Spectroscopy (APECS) and Electron Ion Coincidence (EICO) Spectroscopy

NASA Astrophysics Data System (ADS)

Kakiuchi, Takuhiro; Hashimoto, Shogo; Fujita, Narihiko; Mase, Kazuhiko; Tanaka, Masatoshi; Okusawa, Makoto

We have developed an electron electron ion coincidence (EEICO) apparatus for high-resolution Auger photoelectron coincidence spectroscopy (APECS) and electron ion coincidence (EICO) spectroscopy. It consists of a coaxially symmetric mirror electron energy analyzer (ASMA), a miniature double-pass cylindrical mirror electron energy analyzer (DP-CMA), a miniature time-of-flight ion mass spectrometer (TOF-MS), a magnetic shield, an xyz stage, a tilt-adjustment mechanism, and a conflat flange with an outer diameter of 203 mm. A sample surface was irradiated by synchrotron radiation, and emitted electrons were energy-analyzed and detected by the ASMA and the DP-CMA, while desorbed ions were mass-analyzed and detected by the TOF-MS. The performance of the new EEICO analyzer was evaluated by measuring Si 2p photoelectron spectra of clean Si(001)-2×1 and Si(111)-7×7, and by measuring Si-L23VV-Si-2p Auger photoelectron coincidence spectra (Si-L23VV-Si-2p APECS) of clean Si(001)-2×1.

Sequential roles of primary somatosensory cortex and posterior parietal cortex in tactile-visual cross-modal working memory: a single-pulse transcranial magnetic stimulation (spTMS) study.

PubMed

Ku, Yixuan; Zhao, Di; Hao, Ning; Hu, Yi; Bodner, Mark; Zhou, Yong-Di

2015-01-01

Both monkey neurophysiological and human EEG studies have shown that association cortices, as well as primary sensory cortical areas, play an essential role in sequential neural processes underlying cross-modal working memory. The present study aims to further examine causal and sequential roles of the primary sensory cortex and association cortex in cross-modal working memory. Individual MRI-based single-pulse transcranial magnetic stimulation (spTMS) was applied to bilateral primary somatosensory cortices (SI) and the contralateral posterior parietal cortex (PPC), while participants were performing a tactile-visual cross-modal delayed matching-to-sample task. Time points of spTMS were 300 ms, 600 ms, 900 ms after the onset of the tactile sample stimulus in the task. The accuracy of task performance and reaction time were significantly impaired when spTMS was applied to the contralateral SI at 300 ms. Significant impairment on performance accuracy was also observed when the contralateral PPC was stimulated at 600 ms. SI and PPC play sequential and distinct roles in neural processes of cross-modal associations and working memory. Copyright © 2015 Elsevier Inc. All rights reserved.

The effect of millisecond flash lamp annealing on electrical and structural properties of ZnO:Al/Si structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lindberg, P. F.; Riise, H. N.; Vines, L.

2016-05-14

The effect of millisecond flash lamp annealing (FLA) on aluminum doped ZnO (AZO) films and their interface with Si have been studied. The AZO films were deposited by magnetron sputtering on Si (100) substrates. The electrical and structural properties of the film and AZO/Si structures were characterized by current–voltage, capacitance–voltage, and deep level transient spectroscopy measurements, X-ray diffraction, and secondary ion mass spectrometry. The resistivity of the AZO film is reduced to a close to state-of-the-art value of 2 × 10{sup −4} Ω cm after FLA for 3 ms with an average energy density of 29 J/cm{sup 2}. In addition, most of the interfacial defects energymore » levels are simultaneously annealed out, except for one persisting shallow level, tentatively assigned to the vacancy-oxygen complex in Si, which was not affected by FLA. Subsequent to the FLA, the samples were treated in N{sub 2} or forming gas (FG) (N{sub 2}/H{sub 2}, 90/10%{sub mole}) ambient at 200–500 °C. The latter samples maintained the low resistivity achieved after the FLA, but not the former ones. The interfacial defect level persisting after the FLA is removed by the FG treatment, concurrently as another level emerges at ∼0.18 eV below the conduction band. The electrical data of the AZO films are discussed in term of point defects controlling the resistivity, and it is argued that the FLA promotes formation of electrically neutral clusters of Zink vacancies (V{sub Zn}'s) rather than passivating/compensating complexes between the Al donors and V{sub Zn}'s.« less

Total synthesis of isotopically enriched Si-29 silica NPs as potential spikes for isotope dilution quantification of natural silica NPs.

PubMed

Pálmai, Marcell; Szalay, Roland; Bartczak, Dorota; Varga, Zoltán; Nagy, Lívia Naszályi; Gollwitzer, Christian; Krumrey, Michael; Goenaga-Infante, Heidi

2015-05-01

A new method was developed for the preparation of highly monodisperse isotopically enriched Si-29 silica nanoparticles ((29)Si-silica NPs) with the purpose of using them as spikes for isotope dilution mass spectrometry (IDMS) quantification of silica NPs with natural isotopic distribution. Si-29 tetraethyl orthosilicate ((29)Si-TEOS), the silica precursor was prepared in two steps starting from elementary silicon-29 pellets. In the first step Si-29 silicon tetrachloride ((29)SiCl4) was prepared by heating elementary silicon-29 in chlorine gas stream. By using a multistep cooling system and the dilution of the volatile and moisture-sensitive (29)SiCl4 in carbon tetrachloride as inert medium we managed to reduce product loss caused by evaporation. (29)Si-TEOS was obtained by treating (29)SiCl4 with absolute ethanol. Structural characterisation of (29)Si-TEOS was performed by using (1)H and (13)C nuclear magnetic resonance (NMR) spectroscopy and Fourier-transform infrared (FTIR) spectroscopy. For the NP preparation, a basic amino acid catalysis route was used and the resulting NPs were analysed using transmission electron microscopy (TEM), small angle X-ray scattering (SAXS), dynamic light scattering (DLS) and zeta potential measurements. Finally, the feasibility of using enriched NPs for on-line field-flow fractionation coupled with multi-angle light scattering and inductively coupled plasma mass spectrometry (FFF/MALS/ICP-MS) has been demonstrated. Copyright © 2015 Elsevier Inc. All rights reserved.

Selectivity of silica species in ocean observed from seasonal and local changes

NASA Astrophysics Data System (ADS)

Tanaka, Miho; Takahashi, Kazuya; Nemoto, Masao; Horimoto, Naho

2013-03-01

Silicic acids, derived from SiO2 (silica), have several chemical forms in solution. Silica is a nutrient for diatoms, which are phytoplankton in oceans. Silica species can be used as a tracer to examine the behavior of silica in nature. The speciation for silica by FAB-MS (fast atom bombardment mass spectrometry) has been carried out for seawater samples from Tokyo Bay and Sagami Bay to investigate the seasonal and locational changes of the depth profiles of silica species. The species, [Si(OH)2O2Na+]-, [Si2(OH)5O2]- ([dimer]-), [Si2(OH)4O3Na+]-, [Si(OH)7O5-] ([cyclic tetramer]-), [Si4(OH)6O6Na+]-, [Si(OH)9O]- ([linear tetramer]-) and [Si4(OH)8O5Na+]- were mainly identified by FAB-MS. The seasonal and locational changes and the reproducibility of depth profiles of silica species were determined from October 2001 to July 2002. The depth profile of the ratio of linear tetramer to cyclic tetramer reflects the activity of diatoms, implying that the linear tetramer is the preferred "food" for diatoms. In particular, the depth profile for the ratio of linear tetramer to cyclic tetramer exhibits a critical changes that depend on the season. Furthermore, the depth profiles for the samples from Sagami Bay (open ocean) indicate that seawater is easily exchanged by ocean currents (the Japan Current). Thus, silica speciation by FAB-MS can give us a new tracer indicating the characteristics of the seawater budget, which change with depth, season and ocean locality.

Photosensitized generation of singlet oxygen in porous silicon studied by simultaneous measurements of luminescence of nanocrystals and oxygen molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gongalsky, M. B.; Kharin, A. Yu.; Zagorodskikh, S. A.

2011-07-01

Photosensitization of singlet oxygen generation in porous silicon (PSi) was investigated by simultaneous measurements of the photoluminescence (PL) of silicon nanocrystals (nc-Si) and the infrared emission of the {sup 1}{Delta}-state of oxygen molecules at 1270 nm (0.98 eV) at room temperature. Photodegradation of the nc-Si PL properties was found to correlate with the efficiency of singlet oxygen generation. The quantum efficiency of singlet oxygen generation in PSi was estimated to be about 1%, while the lifetime of singlet oxygen was about fifteen ms. The kinetics of nc-Si PL intensity under cw excitation undergoes a power law dependence with the exponentmore » dependent on the photon energy of luminescence. The experimental results are explained with a model of photodegradation controlled by the diffusion of singlet oxygen molecules in a disordered structure of porous silicon.« less

Hybrid organic/inorganic position-sensitive detectors based on PEDOT:PSS/n-Si

NASA Astrophysics Data System (ADS)

Javadi, Mohammad; Gholami, Mahdiyeh; Torbatiyan, Hadis; Abdi, Yaser

2018-03-01

Various configurations like p-n junctions, metal-semiconductor Schottky barriers, and metal-oxide-semiconductor structures have been widely used in position-sensitive detectors. In this report, we propose a PEDOT:PSS/n-Si heterojunction as a hybrid organic/inorganic configuration for position-sensitive detectors. The influence of the thickness of the PEDOT:PSS layer, the wavelength of incident light, and the intensity of illumination on the device performance are investigated. The hybrid PSD exhibits very high sensitivity (>100 mV/mm), excellent nonlinearity (<3%), and a response correlation coefficient (>0.995) with a response time of <4 ms to the inhomogeneous IR illumination. The presented hybrid configuration also benefits from a straightforward low-temperature fabrication process. These advantages of the PEDOT:PSS/n-Si heterojunction are very promising for developing a new class of position-sensitive detectors based on the hybrid organic/inorganic junctions.

Phonons in self-assembled Ge/Si structures

NASA Astrophysics Data System (ADS)

Milekhin, A. G.; Nikiforov, A. I.; Pchelyakov, O. P.; Schulze, S.; Zahn, D. R. T.

2002-03-01

We present the results of an investigation dealing with fundamental vibrations in periodical Ge/Si structures with small-size Ge quantum dots (QDs) performed using macro- and micro-Raman spectroscopy under resonant and off-resonant conditions. Samples with different number of repetition of Ge and Si layers contain Ge QDs with an average dot base size of 15 nm and a QD height of 2 nm. Periodic oscillations observed in the low-frequency region of the Raman spectra are assigned to folded LA phonons in the Ge QD superlattices. The measured phonon frequencies are in a good agreement with those calculated using the Rytov model. These oscillations are superimposed with a broad continuous emission originating from the whole acoustic dispersion branch due to a breaking up of translational invariance. The Raman spectra of the structure with single Ge QD layer reveal a series of peaks corresponding to LA phonons localized in the Si layer. Using the measured phonon frequencies and corresponding wave vectors the dispersion of the LA phonons in the Si is obtained. The longitudinal-acoustic wave velocity determined from the dispersion is 8365 ms-1 and in excellent agreement with that derived from the Brillouin study. In the optical phonon range, the LO and TO phonons localized in Ge QDs are observed. The position of the LO Ge phonons shifts downwards with increasing excitation energy (from 2.5 to 2.7 eV) indicating the presence of a QD size distribution in Ge dot superlattices. Raman scattering from Ge QDs is size-selectively enhanced by the resonance of the exciting laser energy and the confined excitonic states.

Amorphous and crystalline silicon based heterojunction solar cells

NASA Astrophysics Data System (ADS)

Schüttauf, J. A.

2011-10-01

In this thesis, research on amorphous and crystalline silicon heterojunction (SHJ) solar cells is described. Probably the most important feature of SHJ solar cells is a thin intrinsic amorphous silicion (a-Si:H) layer that is deposited before depositing the doped emitter and back surface field. The passivation properties of such intrinsic layers made by three different chemical vapor deposition (CVD) techniques have been investigated. For layers deposited at 130°C, all techniques show a strong reduction in surface recombination velocity (SRV) after annealing. Modelling indicates that dangling bond saturation by atomic hydrogen is the predominant mechanism. We obtain outstanding carrier lifetimes of 10.3 ms, corresponding to SRVs of 0.56 cm/s. For a-Si:H films made at 250°C, an as-deposited minority carrier lifetime of 2.0 ms is observed. In contrast to a-Si:H films fabricated at 130°C, however, no change in passivation quality upon thermal annealing is observed. These films were fabricated for the first time using a continuous in-line HWCVD mode. Wafer cleaning before a-Si:H deposition is a crucial step for c-Si surface passivation. We tested the influence of an atomic hydrogen treatment before a-Si:H deposition on the c-Si surface. The treatments were performed in a new virgin chamber to exclude Si deposition from the chamber walls. Subsequently, we deposited a-Si:H layers onto the c-Si wafers and measured the lifetime for different H treatment times. We found that increasing hydrogen treatment times led to lower effective lifetimes. Modelling of the measured minority carrier lifetime data shows that the decreased passivation quality is caused by an increased defect density at the amorphous-crystalline interface. Furtheremore, the passivation of different a-Si:H containing layers have been tested. For intrinsic films and intrinsic/n-type stacks, an improvement in passivation up to 255°C and 270°C is observed. This improvement is attributed to dangling bond saturation by H, whereas the decrease at higher temperatures is caused by H effusion. For intrinsic/n-type a-Si:H layer stacks, a record minority carrier lifetime of 13.3 ms is obtained. In contrast, for intrinsic/p-type a-Si:H layer stacks, a deterioration in passivation is observed over the whole temperature range, due to the asymmetric Fermi-level dependent defect formation enthalpy in n- and p-type a-Si:H. Comparing the lifetime values and trends for the different layer stacks to the performance of the corresponding cells, it is observed that the intrinsic/p-layer stack is limiting device performance. Based on these findings, the solar cells were prepared in a modified order, reaching an efficiency of 16.7% (VOC = 681 mV), versus 15.8% (VOC = 659 mV) in the ‘standard’ order. Finally, transparent conductive oxide (TCO) layers are studied for application into solar cells. It is observed that both types of TCO deposition have no significant influence on the passivation properties of standard a-Si:H layer stacks forming the emitter structure in the used SHJ cells. On flat wafers, a conversion efficiency of 16.7% has been obtained when ITO is used as TCO, versus an efficiency of 16.3% for ZnO:Al; slightly lower due to increased electrical losses.

Three New Isoprenylated Flavonoids from the Root Bark of Morus alba.

PubMed

Jung, Jae-Woo; Park, Ji-Hae; Lee, Yeong-Geun; Seo, Kyeong-Hwa; Oh, Eun-Ji; Lee, Dae-Young; Lim, Dong-Wook; Han, Daeseok; Baek, Nam-In

2016-08-24

Phytochemical investigation of the root bark of Morus alba has led to the isolation and identification of three new isoprenylated flavonoids, namely sanggenon U (1), sanggenon V (2), and sanggenon W (3), along with four known isoprenylated flavonoids: euchrenone a₇ (4), sanggenon J (5), kuwanon E (6), and kuwanon S (7). All compounds were isolated by repeated silica gel (SiO₂), octadecyl SiO₂ (ODS), and Sephadex LH-20 open column chromatography. The structure of the compounds were determined based on spectroscopic analyses, including nuclear magnetic resonance (NMR), mass spectrometry (MS), circular dichroism (CD), and infrared (IR). In addition, compounds 1-4 were isolated for the first time from the root bark of M. alba in this study.

Simplified Analysis of Airspike Heat Flux Into Lightcraft Thermal Management System

NASA Astrophysics Data System (ADS)

Head, Dean R.; Seo, Junghwa; Cassenti, Brice N.; Myrabo, Leik N.

2005-04-01

An approximate method is presented for estimating the airspike heat flux into a 9-meter diameter lightcraft, integrated over its flight to low Earth orbit. The super-pressure lightcraft's exotic twin-hull, sandwich structure is assumed to be fabricated from SiC/SiC thin-film ceramic matrix composites of semiconductor grade purity, giving superior structural properties while being transparent to 35-GHz microwave radiation. The vehicle's MHD slipstream accelerator engine is energized by an annular microwave power beam — converted on-board into DC electric power by two concentric, water-cooled microwave rectenna arrays. The vehicle's airspike is created by a central 3-m diameter laser beam that sustains a laser-supported detonation wave at a distance of 10-m ahead of the craft; the LSD wave propagates up the beam with a velocity that matches the lightcraft's flight speed. The simplified analysis, which is based on aerodynamic heating during re-entry, shows that helium flowing at a velocity of 10 m/s through the lightcraft's double-hull is sufficient to keep the outer, 0.13-mm thick SiC skin safely under its maximum service temperature. The interior helium pressurant that maintains the structural integrity of this exotic pressure-airship, increases in temperature by only 25 K during the flight to LEO.

Postmaximal contraction blood volume responses are blunted in obese and type 2 diabetic subjects in a muscle-specific manner

PubMed Central

Sanchez, Otto A.; Copenhaver, Elizabeth A.; Chance, Marti A.; Fowler, Michael J.; Towse, Theodore F.; Kent-Braun, Jane A.

2011-01-01

The purpose of this study was to determine whether there are differences in postisometric contraction blood volume and oxygenation responses among groups of type 2 diabetes mellitus (T2DM), obese, and lean individuals detectable using MRI. Eight T2DM patients were individually matched by age, sex, and race to non-T2DM individuals with similar body mass index (obese) and lean subjects. Functional MRI was performed using a dual-gradient-recalled echo, echo-planar imaging sequence with a repetition time of 1 s and at two echo times (TE = 6 and 46 ms). Data were acquired before, during, and after 10-s isometric dorsiflexion contractions performed at 50 and 100% of maximal voluntary contraction (MVC) force. MRI signal intensity (SI) changes from the tibialis anterior and extensor digitorum longus muscles were plotted as functions of time for each TE. From each time course, the difference between the minimum and the maximum postcontraction SI (ΔSI) were determined for TE = 6 ms (ΔSI6) and TE = 46 ms (ΔSI46), reflecting variations in blood volume and oxyhemoglobin saturation, respectively. Following 50% MVC contractions, the mean postcontraction ΔSI6 values were similar in the three groups. Following MVC only, and in the EDL muscle only, T2DM and obese participants had ∼56% lower ΔSI6 than the lean individuals. Also following MVC only, the ΔSI46 response in the EDL was lower in T2DM subjects than in lean individuals. These data suggest that skeletal muscle small vessel impairment occurs in T2DM and body mass index-matched subjects, in muscle-specific and contraction intensity-dependent manners. PMID:21572006

Functionalized bioengineered spider silk spheres improve nuclease resistance and activity of oligonucleotide therapeutics providing a strategy for cancer treatment.

PubMed

Kozlowska, Anna Karolina; Florczak, Anna; Smialek, Maciej; Dondajewska, Ewelina; Mackiewicz, Andrzej; Kortylewski, Marcin; Dams-Kozlowska, Hanna

2017-09-01

Cell-selective delivery and sensitivity to serum nucleases remain major hurdles to the clinical application of RNA-based oligonucleotide therapeutics, such as siRNA. Spider silk shows great potential as a biomaterial due to its biocompatibility and biodegradability. Self-assembling properties of silk proteins allow for processing into several different morphologies such as fibers, scaffolds, films, hydrogels, capsules and spheres. Moreover, bioengineering of spider silk protein sequences can functionalize silk by adding peptide moieties with specific features including binding or cell recognition domains. We demonstrated that modification of silk protein by adding the nucleic acid binding domain enabled the development of a novel oligonucleotide delivery system that can be utilized to improve pharmacokinetics of RNA-based therapeutics, such as CpG-siRNA. The MS2 bioengineered silk was functionalized with poly-lysine domain (KN) to generate hybrid silk MS2KN. CpG-siRNA efficiently bound to MS2KN in contrary to control MS2. Both MS2KN complexes and spheres protected CpG-siRNA from degradation by serum nucleases. CpG-siRNA molecules encapsulated into MS2KN spheres were efficiently internalized and processed by TLR9-positive macrophages. Importantly, CpG-STAT3siRNA loaded in silk spheres showed delayed and extended target gene silencing compared to naked oligonucleotides. The prolonged Stat3 silencing resulted in the more pronounced downregulation of interleukin 6 (IL-6), a proinflammatory cytokine and upstream activator of STAT3, which limits the efficacy of TLR9 immunostimulation. Our results demonstrate the feasibility of using spider silk spheres as a carrier of therapeutic nucleic acids. Moreover, the modified kinetic and activity of the CpG-STAT3siRNA embedded into silk spheres is likely to improve immunotherapeutic effects in vivo. We demonstrated that modification of silk protein by adding the nucleic acid binding domain enabled the development of a novel oligonucleotide delivery system that can be utilized to improve pharmacokinetics of RNA-based therapeutics. Although, the siRNA constructs have already given very promising results in the cancer therapy, the in vivo application of RNA-based oligonucleotide therapeutics still is limited due to their sensitivity to serum nucleases and some toxicity. We propose a carrier for RNA-based therapeutics that is made of bioengineered spider silk. We showed that functionalized bioengineered spider silk spheres not only protected RNA-based therapeutics from degradation by serum nucleases, but what is more important the embedding of siRNA into silk spheres delayed and extended target gene silencing compared with naked oligonucleotides. Moreover, we showed that plain silk spheres did not have unspecific effect on target gene levels proving not only to be non-cytotoxic but also very neutral vehicles in terms of TLR9/STAT3 activation in macrophages. We demonstrated advantages of novel delivery technology in safety and efficacy comparing with delivery of naked CpG-STAT3siRNA therapeutics. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Magnetic porous PtNi/SiO2 nanofibers for catalytic hydrogenation of p-nitrophenol

NASA Astrophysics Data System (ADS)

Guan, Huijuan; Chao, Cong; Kong, Weixiao; Hu, Zonggao; Zhao, Yafei; Yuan, Siguo; Zhang, Bing

2017-06-01

In this work, the mesoporous SiO2 nanofibers from pyrolyzing precursor of electrospun nanofibers were employed as support to immobilize PtNi nanocatalyst (PtNi/SiO2 nanofibers). AFM, XRD, SEM, TEM, XPS, ICP-AES and N2 adsorption/desorption analysis were applied to systematically investigate the morphology and microstructure of as-prepared products. Results showed that PtNi alloy nanoparticles with average diameter of 18.7 nm were formed and could be homogeneously supported on the surface of porous SiO2 nanofiber, which further indicated that the SiO2 nanofibers with well-developed porous structure, large specific surface area, and roughened surface was a benefit for the support of PtNi alloy nanoparticles. The PtNi/SiO2 nanofibers catalyst exhibited an excellent catalytic activity towards the reduction of p-nitrophenol, and the catalyst's kinetic parameter ( k n = 434 × 10-3 mmol s-1 g-1) was much higher than those of Ni/SiO2 nanofibers (18 × 10-3 mmol s-1 g-1), Pt/SiO2 nanofibers (55 × 10-3 mmol s-1 g-1) and previous reported PtNi catalysts. The catalyst could be easily recycled from heterogeneous reaction system based on its good magnetic properties (the Ms value of 11.48 emu g-1). In addition, PtNi/SiO2 nanofibers also showed an excellent stability and the conversion rate of p-nitrophenol still could maintain 94.2% after the eighth using cycle.

Synthesis of di-functional ligand and fluorescently labeling SiO2 microspheres

NASA Astrophysics Data System (ADS)

Chen, Kexu; Kang, Ming; Liu, Min; Shen, Simin; Sun, Rong

2018-05-01

In order to complete the fluorescent labeling of SiO2 microspheres, a kind of di-functional ligand was synthesized and purified, which could not only coordinate rare earth ions but also react with the active groups to bond host materials with an alkoxysilane groups. Fourier transform infrared spectroscopy (FT-IR), 1H NMR spectra, MS spectra, field emission scanning electron microscope (FESEM), transmission electron microscope (TEM), X-ray photoelectron spectroscopy (XPS) and luminescence spectrophotometer were used to study the structure of di-functional ligand and properties of fluorescent coupling agent and fluorescent labeled SiO2 microspheres. The optimal experiment conditions were acquired as follows: molar ratio as 1: 4 (MDBM: MICPTES), reaction time at 6 h and reaction temperature as 65 °C (yield up to 40%) through the orthogonal experiment and purification process. The results indicated that fluorescent coupling agent presented red photoluminesence of Eu3+ ions at 610 nm, and the absolute quantum yield was 11%. On the other hand, the hydrolysis of the coupling agent reacted on the surface of SiO2 microspheres and presented fluorescent labeling homogeneously.

Kinetics of Valeric Acid Ketonization and Ketenization in Catalytic Pyrolysis on Nanosized SiO2 , γ-Al2 O3 , CeO2 /SiO2 , Al2 O3 /SiO2 and TiO2 /SiO2.

PubMed

Kulyk, Kostiantyn; Palianytsia, Borys; Alexander, John D; Azizova, Liana; Borysenko, Mykola; Kartel, Mykola; Larsson, Mats; Kulik, Tetiana

2017-07-19

Valeric acid is an important renewable platform chemical that can be produced efficiently from lignocellulosic biomass. Upgrading of valeric acid by catalytic pyrolysis has the potential to produce value added biofuels and chemicals on an industrial scale. Understanding the different mechanisms involved in the thermal transformations of valeric acid on the surface of nanometer-sized oxides is important for the development of efficient heterogeneously catalyzed pyrolytic conversion techniques. In this work, the thermal decomposition of valeric acid on the surface of nanoscale SiO 2 , γ-Al 2 O 3 , CeO 2 /SiO 2 , Al 2 O 3 /SiO 2 and TiO 2 /SiO 2 has been investigated by temperature-programmed desorption mass spectrometry (TPD MS). Fourier transform infrared spectroscopy (FTIR) has also been used to investigate the structure of valeric acid complexes on the oxide surfaces. Two main products of pyrolytic conversion were observed to be formed depending on the nano-catalyst used-dibutylketone and propylketene. Mechanisms of ketene and ketone formation from chemisorbed fragments of valeric acid are proposed and the kinetic parameters of the corresponding reactions were calculated. It was found that the activation energy of ketenization decreases in the order SiO 2 >γ-Al 2 O 3 >TiO 2 /SiO 2 >Al 2 O 3 /SiO 2 , and the activation energy of ketonization decreases in the order γ-Al 2 O 3 >CeO 2 /SiO 2 . Nano-oxide CeO 2 /SiO 2 was found to selectively catalyze the ketonization reaction. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pani, M., E-mail: marcella@chimica.unige.it; Institute SPIN-CNR, Corso Perrone 24, 16152 Genova; Morozkin, A.V.

The title compounds have been synthesized and characterized both from the structural and magnetic point of view. Both crystallize in a new monoclinic structure strictly related to the tetragonal BaCd{sub 11} type. The structure was solved by means of X-ray single-crystal techniques for GdNi{sub 8}Si{sub 3} and confirmed for TbNi{sub 8}Si{sub 3} on powder data; the corresponding lattice parameters (obtained from Guinier powder patterns) are a=6.3259(2), b=13.7245(5), c=7.4949(3) Å, β=113.522(3)°, V{sub cell}=596.64(3) Å{sup 3} and a=6.3200(2), b=13.6987(4), c=7.4923(2) Å, β=113.494(2)°, V{sub cell}=594.88(2) Å{sup 3}. The symmetry relationship between the tI48-I4{sub 1}/amd BaCd{sub 11} aristotype and the new ordered mS48-C2/c GdNi{submore » 8}Si{sub 3} derivative is described via the Bärnighausen formalism within the group theory. The large Gd–Gd (Tb–Tb) distances, mediated via Ni–Si network, likely lead to weak magnetic interactions. Low-field magnetization vs temperature measurements indicate weak and field-sensitive antiferromagnetic ground state, with ordering temperatures of 3 K in GdNi{sub 8}Si{sub 3} and about 2–3 K in TbNi{sub 8}Si{sub 3}. On the other hand, the isothermal field-dependent magnetization data show the presence of competing interactions in both compounds, with a field-induced ferromagnetic behavior for GdNi{sub 8}Si{sub 3} and a ferrimagnetic-like behavior in TbNi{sub 8}Si{sub 3} at the ordering temperature T{sub C/N} of about (or slightly higher than) 3K. The magnetocaloric effect, quantified in terms of isothermal magnetic entropy change ΔS{sub m}, has the maximum values of –19.8 J(kg K){sup −1} (at 4 K for 140 kOe field change) and −12.1 J(kg K){sup −1} (at 12 K for 140 kOe field change) in GdNi{sub 8}Si{sub 3} and TbNi{sub 8}Si{sub 3}, respectively. - Graphical abstract: GdNi{sub 8}Si{sub 3} and TbNi{sub 8}Si{sub 3} compounds are isostructural, and crystallize in a new monoclinic type strictly related to the tetragonal BaCd{sub 11} structure. The large R–R interatomic distances mediated via Ni–Si network lead to a weak magnetism in both compounds. - Highlights: • Novel RNi{sub 8}Si{sub 3} (R=Gd, Tb) compounds have been synthesized and characterized. • GdNi{sub 8}Si{sub 3} and TbNi{sub 8}Si{sub 3} are isostructural compounds, belonging to a new monoclinic structure type. • The monoclinic GdNi{sub 8}Si{sub 3} type is an ordered derivative of the tetragonal BaCd{sub 11} type. • The large R–R interatomic distances mediated via Ni–Si network lead to a weak magnetism. • Both compounds GdNi{sub 8}Si{sub 3} and TbNi{sub 8}Si{sub 3} show antiferromagnetic-like order around 3 K.« less

Silicon-Vacancy Spin Qubit in Diamond: A Quantum Memory Exceeding 10 ms with Single-Shot State Readout

NASA Astrophysics Data System (ADS)

Sukachev, D. D.; Sipahigil, A.; Nguyen, C. T.; Bhaskar, M. K.; Evans, R. E.; Jelezko, F.; Lukin, M. D.

2017-12-01

The negatively charged silicon-vacancy (SiV- ) color center in diamond has recently emerged as a promising system for quantum photonics. Its symmetry-protected optical transitions enable the creation of indistinguishable emitter arrays and deterministic coupling to nanophotonic devices. Despite this, the longest coherence time associated with its electronic spin achieved to date (˜250 ns ) has been limited by coupling to acoustic phonons. We demonstrate coherent control and suppression of phonon-induced dephasing of the SiV- electronic spin coherence by 5 orders of magnitude by operating at temperatures below 500 mK. By aligning the magnetic field along the SiV- symmetry axis, we demonstrate spin-conserving optical transitions and single-shot readout of the SiV- spin with 89% fidelity. Coherent control of the SiV- spin with microwave fields is used to demonstrate a spin coherence time T2 of 13 ms and a spin relaxation time T1 exceeding 1 s at 100 mK. These results establish the SiV- as a promising solid-state candidate for the realization of quantum networks.

Robustness up to 400°C of the passivation of c-Si by p-type a-Si:H thanks to ion implantation

NASA Astrophysics Data System (ADS)

Defresne, A.; Plantevin, O.; Roca i Cabarrocas, Pere

2016-12-01

Heterojunction solar cells based on crystalline silicon (c-Si) passivated by hydrogenated amorphous silicon (a-Si:H) thin films are one of the most promising architectures for high energy conversion efficiency. Indeed, a-Si:H thin films can passivate both p-type and n-type wafers and can be deposited at low temperature (<200°C) using PECVD. However, such passivation layers, in particular p-type a-Si:H, show a dramatic degradation in passivation quality above 200°C. Yet, annealing at 300 - 400°C the TCO layer and metallic contacts is highly desirable to reduce the contact resistance as well as the TCO optical absorption. In this work, we show that as expected, ion implantation (5 - 30 keV) introduces defects at the c-Si/a-Si:H interface which strongly degrade the effective lifetime, down to a few micro-seconds. However, the passivation quality can be restored and lifetime values can be improved up to 2 ms over the initial value with annealing. We show here that effective lifetimes above 1 ms can be maintained up to 380°C, opening up the possibility for higher process temperatures in silicon heterojunction device fabrication.

Preparation of SiO2-Protecting Metallic Fe Nanoparticle/SiO2 Composite Spheres for Biomedical Application

PubMed Central

Hsieh, Pin-Wei; Tseng, Ching-Li; Kuo, Dong-Hau

2015-01-01

Functionalized Fe nanoparticles (NPs) have played an important role in biomedical applications. In this study, metallic Fe NPs were deposited on SiO2 spheres to form a Fe/SiO2 composite. To protect the Fe from oxidation, a thin SiO2 layer was coated on the Fe/SiO2 spheres thereafter. The size and morphology of the SiO2@Fe/SiO2 composite spheres were examined by transmission electron microscopy (TEM). The iron form and its content and magnetic properties were examined by X-ray diffraction (XRD), inductively-coupled plasma mass spectrometry (ICP-MS) and a superconducting quantum interference device (SQUID). The biocompatibility of the SiO2@Fe/SiO2 composite spheres was examined by Cell Counting Kit-8 (CCK-8) and lactate dehydrogenase (LDH) tests. The intracellular distribution of the SiO2@Fe/SiO2 composite spheres was observed using TEM. XRD analysis revealed the formation of metallic iron on the surface of the SiO2 spheres. According to the ICP-MS and SQUID results, using 0.375 M FeCl3·6H2O for Fe NPs synthesis resulted in the highest iron content and magnetization of the SiO2@Fe/SiO2 spheres. Using a dye loading experiment, a slow release of a fluorescence dye from SiO2@Fe/SiO2 composite spheres was confirmed. The SiO2@Fe/SiO2 composite spheres co-cultured with L929 cells exhibit biocompatibility at concentrations <16.25 µg/mL. The TEM images show that the SiO2@Fe/SiO2 composite spheres were uptaken into the cytoplasm and retained in the endosome. The above results demonstrate that the SiO2@Fe/SiO2 composite spheres could be used as a multi-functional agent, such as a magnetic resonance imaging (MRI) contrast agent or drug carriers in biomedical applications.

The effect of cooling rate on the phase formation and magnetocaloric properties in La0.6Ce0.4Fe11.0Si2.0 alloys

NASA Astrophysics Data System (ADS)

Yang, Jian; Shao, Yanyan; Feng, Zaixin; Liu, Jian

2018-04-01

In this work, the microstructure, phase formation behavior of the NaZn13-type 1:13 phase and related magnetocaloric effect have been investigated in La0.6Ce0.4Fe11.0Si2.0 as-cast bulk and melt-spun ribbons with different cooling rates. A multi-phase structure consisting of 1:13, α-Fe and La-rich phases is observed in the induction-melted sample with slow cooling. By fast cooling in the melt spinning processing, the La-rich phase can be almost eliminated and thus 1:13 phases with volume fraction as high as 74.4% directly form in the absence of further heat treatment. The resulting maximum magnetic entropy change of 3.1 J/kg K in 2 T field appears at its Curie temperature of 210 K for the La0.6Ce0.4Fe11.0Si2.0 ribbon prepared in 25 m/s.

Three-Level Inverter with 60 A, 4.5 kV Si IGBT/SiC JBS Power Modules for Marine Applications

DTIC Science & Technology

2013-04-01

charge region occupying the whole drift region before the reverse- recovery current is zero, which causes the reverse-recovery current to snap to zero...around 300nH. 0.6 0.6005 0.601 0.6015 0.602 0.6025 0 500 1000 1500 2000 2500 Time (ms) V ol ta ge ( V ) 5A 10A 20A 40A 60A Figure 4: 4.5kV Si PiN...same operating conditions. 0.23 0.2305 0.231 0.2315 0.232 0.2325 0 1000 2000 3000 4000 Time (ms) V ol ta ge ( V ) 5A 10A 20A 40A 60A

Physicochemical Characterization of Functional Lignin–Silica Hybrid Fillers for Potential Application in Abrasive Tools

PubMed Central

Strzemiecka, Beata; Klapiszewski, Łukasz; Jamrozik, Artur; Szalaty, Tadeusz J.; Matykiewicz, Danuta; Sterzyński, Tomasz; Voelkel, Adam; Jesionowski, Teofil

2016-01-01

Functional lignin–SiO2 hybrid fillers were prepared for potential application in binders for phenolic resins, and their chemical structure was characterized. The properties of these fillers and of composites obtained from them with phenolic resin were compared with those of systems with lignin or silica alone. The chemical structure of the materials was investigated by Fourier transform infrared spectroscopy (FT-IR) and carbon-13 nuclear magnetic resonance spectroscopy (13C CP MAS NMR). The thermal stability of the new functional fillers was examined by thermogravimetric analysis–mass spectrometry (TG-MS). Thermo-mechanical properties of the lignin–silica hybrids and resin systems were investigated by dynamic mechanical thermal analysis (DMTA). The DMTA results showed that abrasive composites with lignin–SiO2 fillers have better thermo-mechanical properties than systems with silica alone. Thus, fillers based on lignin might provide new, promising properties for the abrasive industry, combining the good properties of lignin as a plasticizer and of silica as a filler improving mechanical properties. PMID:28773639

Development of a multi-variate calibration approach for quantitative analysis of oxidation resistant Mo-Si-B coatings using laser ablation inductively coupled plasma mass spectrometry

NASA Astrophysics Data System (ADS)

Cakara, Anja; Bonta, Maximilian; Riedl, Helmut; Mayrhofer, Paul H.; Limbeck, Andreas

2016-06-01

Nowadays, for the production of oxidation protection coatings in ultrahigh temperature environments, alloys of Mo-Si-B are employed. The properties of the material, mainly the oxidation resistance, are strongly influenced by the Si to B ratio; thus reliable analytical methods are needed to assure exact determination of the material composition for the respective applications. For analysis of such coatings, laser ablation inductively coupled mass spectrometry (LA-ICP-MS) has been reported as a versatile method with no specific requirements on the nature of the sample. However, matrix effects represent the main limitation of laser-based solid sampling techniques and usually the use of matrix-matched standards for quantitative analysis is required. In this work, LA-ICP-MS analysis of samples with known composition and varying Mo, Si and B content was carried out. Between known analyte concentrations and derived LA-ICP-MS signal intensities no linear correlation could be found. In order to allow quantitative analysis independent of matrix effects, a multiple linear regression model was developed. Besides the three target analytes also the signals of possible argides (40Ar36Ar and 98Mo40Ar) as well as detected impurities of the Mo-Si-B coatings (108Pd) were considered. Applicability of the model to unknown samples was confirmed using external validation. Relative deviations from the values determined using conventional liquid analysis after sample digestion between 5 and 10% for the main components Mo and Si were observed.

Impact Resistance of EBC Coated SiC/SiC Composites

NASA Technical Reports Server (NTRS)

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.

Interface properties of the amorphous silicon/crystalline silicon heterojunction photovoltaic cell

NASA Astrophysics Data System (ADS)

Halliop, Basia

Amorphous-crystalline silicon (a-Si:H/c-Si) heterojunctions have the potential of being a very high efficiency silicon photovoltaic platform technology with accompanying cost and energy budget reductions. In this research a heterojunction cell structure based on a-Si:H deposited using a DC saddle field plasma enhanced vapour deposition (DCSF PECVD) technique is studied, and the a-Si:H/c-Si and indium tin oxide/a-Si:H interfaces are examined using several characterization methods. Photocarrier radiometry (PCR) is used for the first time to probe the a-Si:H/c-Si junction. PCR is demonstrated as a carrier lifetime measurement technique -- specifically, confirming carrier lifetimes above 1 ms for 1-5 Ocm phosphorous-doped c-Si wafers passivated on both sides with 30 nm of i-a-Si:H. PCR is also used to determine surface recombination velocity and mobility, and to probe recombination at the a-Si:H/c-Si interface, distinguishing interface recombination from recombination within the a-Si:H layer or at the a-Si:H surface. A complementary technique, lateral conductivity is applied over a temperature range of 140 K to 430 K to construct energy band diagrams of a-Si:H/c-Si junctions. Boron doped a-Si:H films on glass are shown to have activation energies of 0.3 to 0.35 eV, tuneable by adjusting the diborane to silane gas ratio during deposition. Heterojunction samples show evidence of a strong hole inversion layer and a valence band offset of approximately 0.4 eV; carrier concentration in the inversion layer is reduced in p-a-Si:H/i-a-Si:H/ c-Si structures as intrinsic layer thickness increases, while carrier lifetime is increased. The indium tin oxide/amorphous silicon interface is also examined. Optimal ITO films were prepared with a sheet resistance of 17.3 O/[special character omitted] and AM1.5 averaged transmittance of 92.1%., for a film thickness of approximately 85 nm, using temperatures below 200°C. Two different heat treatments are found to cause crystallization of ITO and to change the properties of the underlying a-Si:H film. Finally, an open circuit voltage of 699 mV was achieved using DCSF PECVD in the tetrode configuration to fabricate a metal/ITO/p-a-Si:H/ i-a-Si:H/n-c-Si/i-a-Si:H/ n+-a-Si:H/metal photovoltaic cell on a texturized wafer. The 4 cm2 cell had an efficiency of 16.5%, a short circuit current of 36.4 mA/cm2 and a fill factor of 64.7%.

Effect of germanium concentrations on tunnelling current calculation of Si/Si1-xGex/Si heterojunction bipolar transistor

NASA Astrophysics Data System (ADS)

Hasanah, L.; Suhendi, E.; Khairrurijal

2018-05-01

Tunelling current calculation on Si/Si1-xGex/Si heterojunction bipolar transistor was carried out by including the coupling between transversal and longitudinal components of electron motion. The calculation results indicated that the coupling between kinetic energy in parallel and perpendicular to S1-xGex barrier surface affected tunneling current significantly when electron velocity was faster than 1x105 m/s. This analytical tunneling current model was then used to study how the germanium concentration in base to Si/Si1-xGex/Si heterojunction bipolar transistor influenced the tunneling current. It is obtained that tunneling current increased as the germanium concentration given in base decreased.

Preface: phys. stat. sol. (a) 202/7

NASA Astrophysics Data System (ADS)

Pollak, Fred H.; Misiewicz, Jan; Sitarek, Piotr

2005-05-01

We have recently observed a growing interest in using the powerful technique of optical modulation spectroscopy. These applications are related mostly to the characterization of low dimensional semiconductor structures and devices based on them.The International Workshop on Modulation Spectroscopy of Semiconductor Structures (MS3) at the beginning of July 2004 gathered in Wrocaw (in the southwest part of Poland) almost 40 participants, half of them from abroad. The 8 invited and 16 contributed talks were presented by the leaders of research teams from the USA, Japan, Taiwan, Canada, Germany, France, the Netherlands, Sweden, Ireland, Russia, Lithuania and Poland. Part of the MS3 workshop was held at the Laboratory of Advanced Optical Spectroscopy, Institute of Physics, Wrocaw University of Technology, where discussions on technical matter of the modulation spectroscopy were carried out in a relaxing atmosphere over a cup of coffee.The topics of the MS3 workshop included: advantages of photoreflectance, electroreflectance, contactless electroreflectance, thermoreflectance, differential reflectance and wavelength-modulated surface photovoltage spectroscopy. The applications of the above methods to investigate transistor, diode and laser structures including VCSELs, low dimensional structures of both wings of the spectrum, i.e. wide band gap materials like GaN, AlGaN, ZnO and low band gap materials such as GaInN(Sb)As, InAs, InSb, and FeSi2 were demonstrated.It is our great pleasure to publish the most interesting of the MS3 workshop presentations in this issue of physica status solidi (a).The organizers acknowledge Wrocaw University of Technology, the Center of Exellence CEPHONA from the Institute of Electron Technology in Warsaw and the Polish Committee for Scientific Research for financial support of the workshop.

A Sol-gel Integrated Dual-readout Microarray Platform for Quantification and Identification of Prostate-specific Antigen.

PubMed

Lee, SangWook; Lee, Jong Hyun; Kwon, Hyuck Gi; Laurell, Thomas; Jeong, Ok Chan; Kim, Soyoun

2018-01-01

Here, we report a sol-gel integrated affinity microarray for on-chip matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) that enables capture and identification of prostate?specific antigen (PSA) in samples. An anti-PSA antibody (H117) was mixed with a sol?gel, and the mixture was spotted onto a porous silicon (pSi) surface without additional surface modifications. The antibody easily penetrates the sol-gel macropore fluidic network structure, making possible high affinities. To assess the capture affinity of the platform, we performed a direct assay using fluorescein isothiocyanate-labeled PSA. Pure PSA was subjected to on-chip MALDI-TOF-MS analysis, yielding three clear mass peptide peaks (m/z = 1272, 1407, and 1872). The sol-gel microarray platform enables dual readout of PSA both fluorometric and MALDI-TOF MS analysis in biological samples. Here we report a useful method for a means for discovery of biomarkers in complex body fluids.

The systolic index: a noninvasive approach for the assessment of cardiac function: implications for patients with DDD and CRT devices.

PubMed

Chirife, Raul; Ruiz, G Aurora; Gayet, Enrique; Muratore, Claudio; Mazzetti, Héctor; Pellegrini, Alejandro; Tentori, M Cristina

2013-10-01

Our objective was to evaluate the systolic index (SI), the ratio between rate-corrected left ventricular ejection time (LVETc), and a preejection period surrogate (PEPsu), to assess cardiac function in patients with DDD and cardiac resynchronization therapy (CRT) pacemakers. LVETc and PEPsu were automatically measured from electrocardiogram and finger photoplethismography. Atrioventricular (AV) and mode switch (CRT to DDD) were used as hemodynamic challenges. Performance of SI, beat-by-beat systolic blood pressure (SBP), and Doppler aortic velocity/time integral (AoVTI) were compared in 36 patients, and SI's detection of CRT to DDD mode switch in nine patients, responders to CRT. AVs were changed from 30 ms to 250 ms (20 ms steps) at constant paced heart rate, alternating with a reference AV (RefAV), to reduce hemodynamic drift. The coefficient of variation (standard deviation/mean) of SI, SBP, and AoVTI during all RefAVs were used as error marker. The percentage detection of hemodynamic changes during AV transitions was a marker of sensitivity. Fifty-five patients (males 62%, age 69.6 ± 17) were studied. SI detected 441 of 544 transitions (81%) versus 361 (66%) of SBP (P = 0.005). Error during RefAVs was smaller for SI (3.4%) as compared to AoVTI (7.8%, P = 0.015) and to SBP (5.7%, P = 0.005). SIs correlated with AoVTI (R from 0.71 to 0.98, all P < 0.001). SI detected all CRT to DDD changes (P < 0.001). The noninvasive SI obtained with a simple, observer-independent hemodynamic assessment procedure has higher accuracy than SBP and AoVTI and better sensitivity than SBP. It detects mechanical resynchronization in CRT and allows programming a suitable AV delay. ©2013, The Authors. Journal compilation ©2013 Wiley Periodicals, Inc.

Silicon-Vacancy Spin Qubit in Diamond: A Quantum Memory Exceeding 10 ms with Single-Shot State Readout.

PubMed

Sukachev, D D; Sipahigil, A; Nguyen, C T; Bhaskar, M K; Evans, R E; Jelezko, F; Lukin, M D

2017-12-01

The negatively charged silicon-vacancy (SiV^{-}) color center in diamond has recently emerged as a promising system for quantum photonics. Its symmetry-protected optical transitions enable the creation of indistinguishable emitter arrays and deterministic coupling to nanophotonic devices. Despite this, the longest coherence time associated with its electronic spin achieved to date (∼250  ns) has been limited by coupling to acoustic phonons. We demonstrate coherent control and suppression of phonon-induced dephasing of the SiV^{-} electronic spin coherence by 5 orders of magnitude by operating at temperatures below 500 mK. By aligning the magnetic field along the SiV^{-} symmetry axis, we demonstrate spin-conserving optical transitions and single-shot readout of the SiV^{-} spin with 89% fidelity. Coherent control of the SiV^{-} spin with microwave fields is used to demonstrate a spin coherence time T_{2} of 13 ms and a spin relaxation time T_{1} exceeding 1 s at 100 mK. These results establish the SiV^{-} as a promising solid-state candidate for the realization of quantum networks.

Nanodusty plasma chemistry: a mechanistic and variational transition state theory study of the initial steps of silyl anion-silane and silylene anion-silane polymerization reactions.

PubMed

Bao, Junwei Lucas; Seal, Prasenjit; Truhlar, Donald G

2015-06-28

The growth of nanodusty particles, which is critical in plasma chemistry, physics, and engineering. The aim of the present work is to understand the detailed reaction mechanisms of early steps in this growth. The polymerization of neutral silane with the silylene or silyl anion, which eliminates molecular hydrogen with the formation of their higher homologues, governs the silicon hydride clustering in nanodusty plasma chemistry. The detailed mechanisms of these important polymerization reactions in terms of elementary reactions have not been proposed yet. In the present work, we investigated the initial steps of these polymerization reactions, i.e., the SiH4 + Si2H4(-)/Si2H5(-) reactions, and we propose a three-step mechanism, which is also applicable to the following polymerization steps. CM5 charges of all the silicon-containing species were computed in order to analyze the character of the species in the proposed reaction mechanisms. We also calculated thermal rate constant of each step using multi-structural canonical variational transition state theory (MS-CVT) with the small-curvature tunneling (SCT) approximation, based on the minimum energy path computed using M08-HX/MG3S electronic structure method.

Magnetic susceptibility for use in delineating hydric soils

USGS Publications Warehouse

Grimley, D.A.; Vepraskas, M.J.

2000-01-01

Field indicators are used to identify hydric soil boundaries and to delineate wetlands. The most common field indicators may not be seen in some soils with thick, dark, mollic epipedons, and do not form in Fe-poor soils. This study evaluated magnetic susceptibility (MS) meter as a field tool to determine hydric soil boundaries. Five Mollisoldominated sites formed in glacial deposits in Illinois were evaluated along with one Ultisol-dominated site formed in Coastal Plain sediments of North Carolina. Measurements of volumetric MS were made along transects at each site that extended from wetland into upland areas. One created wetland was evaluated. Field indicators were used to identify the hydric soils. Results showed that volumetric MS values were significantly (P 0.15) differences in MS were found for Coastal Plain hydric and nonhydric soils where MS values were low (<10 ?? 10-5 SI). Critical MS values that separated hydric and nonhydric soils varied between 20 ?? 10-5 and 30 ?? 10-5 SI for the loessal soils evaluated in Illinois. Such critical values will have to be determined on site using field indicators until specific values can be defined for hydric soils within a given parent material. With a critical MS value in hand, a wetland delineator can make MS measurements along transects perpendicular to the envisioned hydric soil boundary to quickly and quantitatively identify it.

Wear Measurement of Ceramic Bearings in Gas Turbines

DTIC Science & Technology

1990-03-01

CLASSIFICATION OF THIS PAGE UNCLASSIFIED The primary findings of the program are: a. The method for tagging Si 3N4, SiC, and M50 bearing components to depths of...for tagging Si 3 N4 , SiC, and M50 bearing components to depths of interest in bearings (1-20 microns) was developed, and subcontractors with the...1-2 SECTION 2 BACKGROUND The ball and roller bearings used in gas turbines are generally made of steels (MS0, 52100), and loss of bearing

The GNSS Reflectometry Response to the Ocean Surface

NASA Astrophysics Data System (ADS)

Chang, Paul; Jelenak, Zorana; Soisuvarn, Seubson; Said, Faozi

2016-04-01

Global Navigation Satellite System - Reflectometry (GNSS-R) exploits signals of opportunity from the Global Navigation Satellite System (GNSS). GNSS transmitters continuously transmit navigation signals at L-band toward the earth's surface. The scattered power reflected off the earth's surface can be sensed by specially designed GNSS-R receivers. The reflected signal can then be used to glean information about the surface of the earth, such as ocean surface roughness, snow depth, sea ice extent, and soil moisture. The use of GNSS-R for ocean wind retrievals was first demonstrated from aircraft. On July 8 2014, the TechDemoSat-1 satellite (TDS-1) was launched by Surrey Satellite Technology, Ltd as a technology risk reduction mission into sun-synchronous orbit. This paper investigates the GNSS-R measurements collected by the Space GNSS Receiver-Remote Sensing Instrument (SGR-ReSI) on board the TDS-1 satellite. The sensitivity of the SGR-ReSI measurements to the ocean surface winds and waves are characterized. The effects of sea surface temperature, wind direction, and rain are also investigated. The SGR-ReSI measurements exhibited sensitivity through the entire range of wind speeds sampled in this dataset, up to 35 m/s. A significant dependence on the larger waves was observed for winds < 6 m/s. Additionally, an interesting dependence on SST was observed where the slope of the SGR-ReSI measurements is positive for winds < 5 m/s and reverses for winds > 5 m/s. There appeared to be very little wind direction signal, and investigation of the rain impacts found no apparent sensitivity in the data. These results are shown through the analysis of global statistics and examination of a few case studies. This released SGR-ReSI dataset provided the first opportunity to comprehensively investigate the sensitivity of satellite-based GNSS-R measurements to various ocean surface parameters. The upcoming NASA's Cyclone Global Navigation Satellite System (CYGNSS) satellite constellation will utilize a similar receiver to SGI-ReSI and thus this data provides valuable pre-launch knowledge for the CYGNSS mission.

Pilot randomised clinical trial of Pascal TargETEd Retinal versus variable fluence PANretinal 20 ms laser in diabetic retinopathy: PETER PAN study.

PubMed

Muqit, Mahiul M K; Young, Lorna B; McKenzie, Rod; John, Binu; Marcellino, George R; Henson, David B; Turner, George S; Stanga, Paulo E

2013-02-01

To investigate the short-term effects of high-density 20-ms laser on macular thickness using Pascal-targeted retinal photocoagulation (TRP) and reduced fluence/minimally-traumatic panretinal photocoagulation (MT-PRP) compared to standard-intensity PRP (SI-PRP) in proliferative diabetic retinopathy (PDR). Prospective randomised clinical trial. Treatment-naive PDR was treated with single-session 20-ms Pascal 2500 burns photocoagulation randomised to one of three treatment arms (TRP:MT-PRP:SI-PRP). Primary outcome measure was change in central retinal thickness (CRT) on OCT. Secondary outcomes at 4 and 12 weeks post-laser included: OCT peripapillary nerve fibre layer (NFL) thickness; PDR disease regression on Optos angiography; SITA-Std visual fields (VF); and, visual acuity (VA). 30 eyes of 24 patients were studied, ten eyes/arm. At 12 weeks, there were significant reductions in CRT after TRP (9.6 µm; 95% CI, 1.84 to 17.36; p=0.021) and MT-PRP (17.1 µm; 95% CI, 11 to 23.2; p=0.001), versus SI-PRP (+5.9 µm; 95% CI, -6.75 to 18.55; p=0.32). PDR regression was similar between groups (TRP 70%; MT-PRP 70%; SI-PRP 90%; κ=0.76). No significant changes in VA and NFL thickness developed between groups. The VF mean deviation scores increased significantly in all groups at 12 weeks ([TRP, +0.70dB; 95% CI, 0.07 to 1.48; p=0.07], [MT-PRP, +0.63dB; 95% CI, 0.12 to 1.15; p=0.02], [SI-PRP, +1.0dB; 95% CI, 0.19 to 1.74; p=0.02]). There were no laser-related ocular complications. This pilot study reports that high-density 20-ms Pascal TRP and MT-PRP using 2500 burns did not produce increased macular thickness or any ocular adverse events during the short-term.

Rapid synthesis of Ti-MCM-41 by microwave-assisted hydrothermal method towards photocatalytic degradation of oxytetracycline.

PubMed

Chen, Hanlin; Peng, Yen-Ping; Chen, Ku-Fan; Lai, Chia-Hsiang; Lin, Yung-Chang

2016-06-01

This study employed microwave-assisted hydrothermal method to synthesize Ti-MCM-41, which are mesoporous materials with a high surface area and excellent photocatalytic ability. Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), and ultraviolet-visible spectroscopy (UV-Vis) were employed. The XRD findings showed that Ti-MCM-41 exhibited a peak at 2θ of 2.2°, which was attributed to the hexagonal MCM-41 structure. The BET (Brunauer-Emmett-Teller) results agreed with the TEM findings that Ti-MCM-41 has a pore size of about 3-5nm and a high surface area of 883m(2)/g. FTIR results illustrated the existence of Si-O-Si and Si-O-Ti bonds in Ti-MCM-41. The appearance of Ti 2p peaks in the XPS results confirmed the FTIR findings that the Ti was successfully doped into the MCM-41 structure. Zeta (ζ)-potential results indicated that the iso-electric point (IEP) of Ti-MCM-41 was at about pH3.02. In this study, the photocatalytic degradation of oxytetracycline (OTC) at different pH was investigated under Hg lamp irradiation (wavelength 365nm). The rate constant (K'obs) for OTC degradation was 0.012min(-1) at pH3. Furthermore, TOC (total organic carbon) and high resolution LC-MS (liquid chromatography-mass spectrometry) analyses were conducted to elucidate the possible intermediate products and degradation pathway for OTC. The TOC removal efficiency of OTC degradation was 87.0%, 74.4% and 50.9% at pH3, 7 and 10, respectively. LC-MS analysis results showed that the degradation products from OTC resulted from the removal of functional groups from the OTC ring. Copyright © 2016. Published by Elsevier B.V.

Surface molecular imprinting onto fluorescein-coated magnetic nanoparticlesvia reversible addition fragmentation chain transfer polymerization: A facile three-in-one system for recognition and separation of endocrine disrupting chemicals

NASA Astrophysics Data System (ADS)

Li, Ying; Dong, Cunku; Chu, Jia; Qi, Jingyao; Li, Xin

2011-01-01

In this study, we present a general protocol for the making of surface-imprinted magnetic fluorescence beads viareversible addition-fragmentation chain transfer polymerization. The resulting composites were characterized by X-ray diffraction analysis, transmission electron microscopy, scanning electron microscopy, fluorescence spectroscopy, Fourier transform infrared spectroscopy, and energy dispersive spectroscopy. The as-synthesized beads exhibited homogeneous polymer films (thickness of about 5.7 nm), spherical shape, high fluorescence intensity and magnetic property (Magnetization (Ms) = 3.67 emu g-1). The hybrids bind the original template 17β-estradiol with an appreciable selectivity over structurally related compounds. In addition, the resulting hybrids performed without obvious deterioration after five repeated cycles. This study therefore demonstrates the potential of molecularly imprinted polymers for the recognition and separation of endocrine disrupting chemicals.In this study, we present a general protocol for the making of surface-imprinted magnetic fluorescence beads viareversible addition-fragmentation chain transfer polymerization. The resulting composites were characterized by X-ray diffraction analysis, transmission electron microscopy, scanning electron microscopy, fluorescence spectroscopy, Fourier transform infrared spectroscopy, and energy dispersive spectroscopy. The as-synthesized beads exhibited homogeneous polymer films (thickness of about 5.7 nm), spherical shape, high fluorescence intensity and magnetic property (Magnetization (Ms) = 3.67 emu g-1). The hybrids bind the original template 17β-estradiol with an appreciable selectivity over structurally related compounds. In addition, the resulting hybrids performed without obvious deterioration after five repeated cycles. This study therefore demonstrates the potential of molecularly imprinted polymers for the recognition and separation of endocrine disrupting chemicals. Electronic supplementary information (ESI) available: Supplementary figure S1. The hysteresis loop of Fe3O4 (a), Fe3O4@SiO2 (b), and Fe3O4@SiO2-Dye-SiO2 (c). See DOI: 10.1039/c0nr00614a

Earthquakes in the Mantle? Insights from Ultramafic Pseudotachylytes

NASA Astrophysics Data System (ADS)

Meado, A.; Ferre, E. C.; Ueda, T.; Ashwal, L. D.; Deseta, N.

2015-12-01

Deep earthquakes in subduction/collision zones may originate from mechanical failure of ultramafic rocks at mantle depths. Fault pseudotachylytes in peridotites have been attributed to seismic slip at depths >30 km. However, the possibility of frictional melting at shallower depths still exist. While pristine mantle rocks typically lack magnetite, postseismic serpentinization would likely involve formation of abundant multi-domain (MD) magnetite. Single-domain (SD) to pseudo-single domain (PSD) magnetite may also form in pseudotachylytes through breakdown of mafic silicates. Magnetite has a large magnetic susceptibility (Km). MD magnetite shows low magnetic remanence / magnetic saturation ratios (Mr/Ms) compared to SD-PSD magnetite. The formation of coseismic magnetite however would depend on fO2. Hence, in unserpentinized ultramafic pseudotachylytes, magnetite would form preferentially under shallow, high fO2 conditions. Coseismically deformed magnetite would result in a high anisotropy of magnetic susceptibility (AMS). Here, we present a predictive model of the magnetic properties and magnetic fabrics of ultramafic pseudotachylytes formed under four conditions: i) deep seismic slip and no syn- or postseismic serpentinization: low Km (<600 . 10^-6 [SI]), low Mr/Ms (<0.1), and low AMS (<1.1) ii) deep seismic slip followed by static serpentinization: high Km (>3,000 . 10^-6 [SI]), low Mr/Ms (<0.1), low AMS (<1.1) iii) deep or shallow seismic slip in previously serpentinized peridotites: high Km (>3,000 . 10^-6 [SI]), moderate Mr/Ms (0.1-0.5), high AMS (>1.5) iv) shallow seismic slip with no serpentinization: moderate Km (600-3,000 . 10^-6 [SI]), high Mr/Ms (>0.5), moderate AMS (1.1-1.5) We test these models using samples from the Balmuccia Massif (Italy) and the Schistes Lustrés (Corsica). These models may provide new constrains for ultramafic pseudotachylytes regarding their depth of formation and the timing of serpentinization.

Feature Selection in Order to Extract Multiple Sclerosis Lesions Automatically in 3D Brain Magnetic Resonance Images Using Combination of Support Vector Machine and Genetic Algorithm.

PubMed

Khotanlou, Hassan; Afrasiabi, Mahlagha

2012-10-01

This paper presents a new feature selection approach for automatically extracting multiple sclerosis (MS) lesions in three-dimensional (3D) magnetic resonance (MR) images. Presented method is applicable to different types of MS lesions. In this method, T1, T2, and fluid attenuated inversion recovery (FLAIR) images are firstly preprocessed. In the next phase, effective features to extract MS lesions are selected by using a genetic algorithm (GA). The fitness function of the GA is the Similarity Index (SI) of a support vector machine (SVM) classifier. The results obtained on different types of lesions have been evaluated by comparison with manual segmentations. This algorithm is evaluated on 15 real 3D MR images using several measures. As a result, the SI between MS regions determined by the proposed method and radiologists was 87% on average. Experiments and comparisons with other methods show the effectiveness and the efficiency of the proposed approach.

[Locally administered lentivirus-mediated siRNA inhibits wear debris-induced inflammation].

PubMed

Peng, Xiao-chun; Zhang, Xian-long; Tao, Kun; Cheng, Tao; Zhu, Jun-feng; Zeng, Bing-fang

2009-03-01

To determine the safety and efficacy of local administration of lentivirus-mediated small interfering RNA (siRNA) targeting tumor necrosis factor-alpha (TNF-alpha) in murine air pouch model. From May 2007 to April 2008 a siRNA targeting TNF-alpha and a missense siRNA were designed, and recombine lentivirus which coexpressed the green fluorescent protein (GFP) as a marker gene was constructed. Air pouches were established and stimulated by Ti-6Al-4V particles. Pouches were divided into 3 groups randomly. Lentivirus-mediated siRNA targeting TNF-alpha (TNF-alpha group) or lentivirus-mediated missense siRNA (MS group), or virus-free saline (control group) were injected into pouches respectively. Pouch membrane, peripheral blood, heart, liver, spleen, kidney, lung and brain were harvested at 28 d after transfection, and assayed for markers of inflammation using histological, molecular, immunological techniques and Xenogen in vivo imaging system (IVIS) 50 vivo bioluminescent assay system. Xenogen IVIS 50 vivo image revealed strong expression of GFP localized in pouch areas and no expression in other parts of mice both in TNF-alpha group and MS group at 4 weeks after transfection, while no expression of GFP was found in control group. By RT-PCR and ELISA, the mRNA and protein levels of TNF-alpha in TNF-alpha group decreased by 81.6% and 82.6% respectively compared to control group (P < 0.01), and decreased by 78.9% and 84.0% respectively compared to MS group (P < 0.01), whereas TNF-alpha level in peripheral blood, heart, liver, spleen, kidney, lung and brain remained invariant (P > 0.05). Less inflammatory responses (thinner pouch membrane and decreased cellular infiltration) were observed in TNF-alpha group. Efficient local delivery of lentivirus-mediated siRNA targeting TNF-alpha into modified murine air pouch can inhibit debris-induced inflammation effectively, with no systemic adverse effects.

A hemicellulose-bound form of silicon inhibits cadmium ion uptake in rice (Oryza sativa) cells.

PubMed

Ma, Jie; Cai, Hongmei; He, Congwu; Zhang, Wenjun; Wang, Lijun

2015-05-01

Silicon (Si) alleviates cadmium (Cd) toxicity in rice (Oryza sativa). However, the chemical mechanisms at the single-cell level are poorly understood. Here, a suspension of rice cells exposed to Cd and/or Si treatments was investigated using a combination of plant cell nutritional, molecular biological, and physical techniques including in situ noninvasive microtest technology (NMT), polymerase chain reaction (PCR), inductively coupled plasma mass spectroscopy (ICP-MS), and atomic force microscopy (AFM) in Kelvin probe mode (KPFM). We found that Si-accumulating cells had a significantly reduced net Cd(2+) influx, compared with that in Si-limited cells. PCR analyses of the expression levels of Cd and Si transporters in rice cells showed that, when the Si concentration in the medium was increased, expression of the Si transporter gene Low silicon rice 1 (Lsi1) was up-regulated, whereas expression of the gene encoding the transporter involved in the transport of Cd, Natural resistance-associated macrophage protein 5 (Nramp5), was down-regulated. ICP-MS results revealed that 64% of the total Si in the cell walls was bound to hemicellulose constituents following the fractionation of the cell walls, and consequently inhibited Cd uptake. Furthermore, AFM in KPFM demonstrated that the heterogeneity of the wall surface potential was higher in cells cultured in the presence of Si than in those cultured in its absence, and was homogenized after the addition of Cd. These results suggest that a hemicellulose-bound form of Si with net negative charges is responsible for inhibition of Cd uptake in rice cells by a mechanism of [Si-hemicellulose matrix]Cd complexation and subsequent co-deposition. © 2015 The Authors. New Phytologist © 2015 New Phytologist Trust.

Cooperative processing in primary somatosensory cortex and posterior parietal cortex during tactile working memory.

PubMed

Ku, Yixuan; Zhao, Di; Bodner, Mark; Zhou, Yong-Di

2015-08-01

In the present study, causal roles of both the primary somatosensory cortex (SI) and the posterior parietal cortex (PPC) were investigated in a tactile unimodal working memory (WM) task. Individual magnetic resonance imaging-based single-pulse transcranial magnetic stimulation (spTMS) was applied, respectively, to the left SI (ipsilateral to tactile stimuli), right SI (contralateral to tactile stimuli) and right PPC (contralateral to tactile stimuli), while human participants were performing a tactile-tactile unimodal delayed matching-to-sample task. The time points of spTMS were 300, 600 and 900 ms after the onset of the tactile sample stimulus (duration: 200 ms). Compared with ipsilateral SI, application of spTMS over either contralateral SI or contralateral PPC at those time points significantly impaired the accuracy of task performance. Meanwhile, the deterioration in accuracy did not vary with the stimulating time points. Together, these results indicate that the tactile information is processed cooperatively by SI and PPC in the same hemisphere, starting from the early delay of the tactile unimodal WM task. This pattern of processing of tactile information is different from the pattern in tactile-visual cross-modal WM. In a tactile-visual cross-modal WM task, SI and PPC contribute to the processing sequentially, suggesting a process of sensory information transfer during the early delay between modalities. © 2015 Federation of European Neuroscience Societies and John Wiley & Sons Ltd.

Self-Powered UV-Near Infrared Photodetector Based on Reduced Graphene Oxide/n-Si Vertical Heterojunction.

PubMed

Li, Guanghui; Liu, Lin; Wu, Guan; Chen, Wei; Qin, Sujie; Wang, Yi; Zhang, Ting

2016-09-01

A novel self-powered photodetector based on reduced graphene oxide (rGO)/n-Si p-n vertical heterojunction with high sensitivity and fast response time is presented. The photodetector contains a p-n vertical heterojunction between a drop-casted rGO thin film and n-Si. Contacts between the semiconductor layer (rGO, n-Si) and source-drain Ti/Au electrodes allow efficient transfer of photogenerated charge carriers. The self-powered UV-near infrared photodetector shows high sensitivity toward a spectrum of light from 365 to 1200 nm. Under the 600 nm illumination (0.81 mW cm -2 ), the device has a photoresponsivity of 1.52 A W -1 , with fast response and recover time (2 ms and 3.7 ms), and the ON/OFF ratios exceed 10 4 when the power density reaches ≈2.5 mW cm -2 . The high photoresponse primarily arises from the built-in electric field formed at the interface of n-Si and rGO film. The effect of rGO thickness, rGO reduction level, and layout of rGO/n-Si effective contact area on device performance are also systematically investigated. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Viewing speech modulates activity in the left SI mouth cortex.

PubMed

Möttönen, Riikka; Järveläinen, Juha; Sams, Mikko; Hari, Riitta

2005-02-01

The ability to internally simulate other persons' actions is important for social interaction. In monkeys, neurons in the premotor cortex are activated both when the monkey performs mouth or hand actions and when it views or listens to actions made by others. Neuronal circuits with similar "mirror-neuron" properties probably exist in the human Broca's area and primary motor cortex. Viewing other person's hand actions also modulates activity in the primary somatosensory cortex SI, suggesting that the SI cortex is related to the human mirror-neuron system. To study the selectivity of the SI activation during action viewing, we stimulated the lower lip (with tactile pulses) and the median nerves (with electric pulses) in eight subjects to activate their SI mouth and hand cortices while the subjects either rested, listened to other person's speech, viewed her articulatory gestures, or executed mouth movements. The 55-ms SI responses to lip stimuli were enhanced by 16% (P<0.01) in the left hemisphere during speech viewing whereas listening to speech did not modulate these responses. The 35-ms responses to median-nerve stimulation remained stable during speech viewing and listening. Own mouth movements suppressed responses to lip stimuli bilaterally by 74% (P<0.001), without any effect on responses to median-nerve stimuli. Our findings show that viewing another person's articulatory gestures activates the left SI cortex in a somatotopic manner. The results provide further evidence for the view that SI is involved in "mirroring" of other persons' actions.

Soil magnetic susceptibility reflects soil moisture regimes and the adaptability of tree species to these regimes

USGS Publications Warehouse

Wang, J.-S.; Grimley, D.A.; Xu, C.; Dawson, J.O.

2008-01-01

Flooded, saturated or poorly drained soils are frequently anaerobic, leading to dissolution of the strongly magnetic minerals, magnetite and maghemite, and a corresponding decrease in soil magnetic susceptibility (MS). In this study of five temperate deciduous forests in east-central Illinois, USA, mean surface soil MS was significantly higher adjacent to upland tree species (31 ?? 10-5 SI) than adjacent to floodplain or lowland tree species (17 ?? 10-5 SI), when comparing regional soils with similar parent material of loessal silt. Although the sites differ in average soil MS for each tree species, the relative order of soil MS means for associated tree species at different locations is similar. Lowland tree species, Celtis occidentalis L., Ulmus americana L., Acer saccharinum L., Carya laciniosa (Michx. f.) Loud., and Fraxinus pennsylvanica Marsh. were associated with the lowest measured soil MS mean values overall and at each site. Tree species' flood tolerance rankings increased significantly, as soil MS values declined, the published rankings having significant correlations with soil MS values for the same species groups. The three published classifications of tree species' flood tolerance were significantly correlated with associated soil MS values at all sites, but most strongly at Allerton Park, the site with the widest range of soil drainage classes and MS values. Using soil MS measurements in forests with soil parent material containing similar initial levels of strongly magnetic minerals can provide a simple, rapid and quantitative method to classify soils according to hydric regimes, including dry conditions, and associated plant composition. Soil MS values thus have the capacity to quantify the continuum of hydric tolerances of tree species and guide tree species selection for reforestation. ?? 2007 Elsevier B.V. All rights reserved.

Facile preparation of magnetic graphene double-sided mesoporous composites for the selective enrichment and analysis of endogenous peptides.

PubMed

Yin, Peng; Sun, Nianrong; Deng, Chunhui; Li, Yan; Zhang, Xiangmin; Yang, Pengyuan

2013-08-01

In this work, magnetic graphene double-sided mesoporous nanocomposites (mag-graphene@mSiO₂) were synthesized by coating a layer of mesoporous silica materials on each side of magnetic grapheme. The surfactant (CTAB) mediated sol-gel coating was performed using tetraethyl orthosilicate as the silica source. The as-made magnetic graphene double-sided mesoporous silica composites were treated with high-temperature calcination to remove the hydroxyl on the surface. The novel double-sided materials possess high surface area (167.8 cm²/g) and large pore volume (0.2 cm³/g). The highly open pore structure presents uniform pore size (3.2 nm) and structural stability. The hydrophobic interior pore walls could ensure an efficient adsorption of target molecules through hydrophobic-hydrophobic interaction. At the same time, the magnetic Fe₃O₄ particles on both sides of the materials could simplify the process of enrichment, which plays an important role in the treatment of complex biological samples. The magnetic graphene double-sided nanocomposites were successfully applied to size-selective and specific enrichment of peptides in standard peptide mixtures, protein digest solutions, and human urine samples. Finally, the novel material was applied to selective enrichment of endogenous peptides in mouse brain tissue. The enriched endogenous peptides were then analyzed by LC-MS/MS, and 409 endogenous peptides were detected and identified. The results demonstrate that the as-made mag-graphene@mSiO₂ have powerful potential for peptidome research. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Recombination reduction at the c-Si/RCA oxide interface through Ar-H2 plasma treatment

NASA Astrophysics Data System (ADS)

Landheer, Kees; Bronsveld, Paula C. P.; Poulios, Ioannis; Tichelaar, Frans D.; Kaiser, Monja; Schropp, Ruud E. I.; Rath, Jatin K.

2017-02-01

An Ar-H2 plasma treatment was applied on an ultrathin RCA oxide to create well-passivated silicon wafers with symmetric c-Si/SiOx:H/a-Si:H passivation layer stacks. The effective lifetime of these samples increased from 10 μs to 4 ms after annealing at 200 °C through Ar-H2 plasma treatment of the oxide. The results indicate that the plasma treatment can modify the RCA oxide and this enables atomic hydrogen diffusion at low annealing temperature, leading to a well passivated c-Si/SiOx:H interface. This might provide new possibilities to use wet chemical oxides in c-Si solar cells, for example as tunnel contacts.

Integrated Optical Information Processing

DTIC Science & Technology

1988-08-01

applications in optical disk memory systems [91. This device is constructed in a glass /SiO2/Si waveguide. The choice of a Si substrate allows for the...contact mask) were formed in the photoresist deposited on all of the samples, we covered the unwanted gratings on each sample with cover glass slides...processing, let us consider TeO2 (v, = 620 m/s) as a potential substrate for applications requiring large time delays. This con- sideration is despite

Passivation mechanism in silicon heterojunction solar cells with intrinsic hydrogenated amorphous silicon oxide layers

NASA Astrophysics Data System (ADS)

Deligiannis, Dimitrios; van Vliet, Jeroen; Vasudevan, Ravi; van Swaaij, René A. C. M. M.; Zeman, Miro

2017-02-01

In this work, we use intrinsic hydrogenated amorphous silicon oxide layers (a-SiOx:H) with varying oxygen content (cO) but similar hydrogen content to passivate the crystalline silicon wafers. Using our deposition conditions, we obtain an effective lifetime (τeff) above 5 ms for cO ≤ 6 at. % for passivation layers with a thickness of 36 ± 2 nm. We subsequently reduce the thickness of the layers using an accurate wet etching method to ˜7 nm and deposit p- and n-type doped layers fabricating a device structure. After the deposition of the doped layers, τeff appears to be predominantly determined by the doped layers themselves and is less dependent on the cO of the a-SiOx:H layers. The results suggest that τeff is determined by the field-effect rather than by chemical passivation.

Properties of low-lying intruder states in 34Al and 34Si populated in the beta-decay of 34Mg

NASA Astrophysics Data System (ADS)

Licǎ, R.; Rotaru, F.; Negoitǎ, F.; Grévy, S.; Mǎrginean, N.; Desagne, Ph.; Stora, T.; Borcea, C.; Borcea, R.; Cǎlinescu, S.; Daugas, J. M.; Filipescu, D.; Kuti, I.; Fraile, L. M.; Franchoo, S.; Gheorghe, I.; Ghitǎ, D. G.; Mǎrginean, R.; Mihai, C.; Mourface, P.; Morel, P.; Mrazek, J.; Negret, A.; Pietreanu, D.; Sava, T.; Sohler, D.; Stǎnoiu, M.; Stefan, I.; Şuvǎilǎ, R.; Toma, S.; Ur, C. A.

2015-02-01

The results of the IS530 experiment at ISOLDE revealed new information concerning several nuclei close to the N ≈ 20 'Island of Inversion' - 34Mg , 34Al , 34Si . The half-life of 34Mg was found to be three times larger than the adopted value (63(1) ms instead of 20(10) ms). The beta-gamma spectroscopy of 34Mg performed for the first time in this experiment, led to the first experimental level scheme for 34Al , also showing that the full beta strength goes through the predicted 1+ isomer in 34Al [1] and/or excited states that deexcite to it. The subsequent beta-decay of the 1+ isomer in 34Al allowed the observation of new gamma lines in 34Si , (tentatively) associated with low-spin high-energy excited states previously unobserved.

Differentiation of Cuscuta chinensis and Cuscuta australis by HPLC-DAD-MS analysis and HPLC-UV quantitation.

PubMed

He, Xianghui; Yang, Wenzhi; Ye, Min; Wang, Qing; Guo, Dean

2011-11-01

Cuscuta chinensis and Cuscuta australis, the two botanical sources of the Chinese herbal medicine Tu-Si-Zi, were distinguished from each other based on qualitative and quantitative chemical analysis. By HPLC‑DAD‑MS, a total of 36 compounds were characterized from these two Cuscuta species, including 14 flavonoids, 17 quinic acid derivatives, and 5 lignans. In addition, HPLC‑UV was applied to determine seven major compounds (6 flavonoids plus chlorogenic acid) in 27 batches of Tu-Si-Zi. The results revealed that the amounts of the three classes of compounds varied significantly between the species. C. australis contained more flavonoids but less quinic acid derivatives and lignans than C. chinensis. Particularly, the amounts of kaempferol and astragalin in C. australis were remarkably higher than in C. chinensis. This finding could be valuable for the quality control of Tu-Si-Zi. © Georg Thieme Verlag KG Stuttgart · New York.

High Performance Molybdenum Disulfide Amorphous Silicon Heterojunction Photodetector

PubMed Central

Esmaeili-Rad, Mohammad R.; Salahuddin, Sayeef

2013-01-01

One important use of layered semiconductors such as molybdenum disulfide (MoS2) could be in making novel heterojunction devices leading to functionalities unachievable using conventional semiconductors. Here we demonstrate a metal-semiconductor-metal heterojunction photodetector, made of MoS2 and amorphous silicon (a-Si), with rise and fall times of about 0.3 ms. The transient response does not show persistent (residual) photoconductivity, unlike conventional a-Si devices where it may last 3–5 ms, thus making this heterojunction roughly 10X faster. A photoresponsivity of 210 mA/W is measured at green light, the wavelength used in commercial imaging systems, which is 2−4X larger than that of a-Si and best reported MoS2 devices. The device could find applications in large area electronics, such as biomedical imaging, where a fast response is critical. PMID:23907598

Microstructure and property of directionally solidified Ni-Si hypereutectic alloy

NASA Astrophysics Data System (ADS)

Cui, Chunjuan; Tian, Lulu; Zhang, Jun; Yu, Shengnan; Liu, Lin; Fu, Hengzhi

2016-03-01

This paper investigates the influence of the solidification rate on the microstructure, solid/liquid interface, and micro-hardness of the directionally solidified Ni-Si hypereutectic alloy. Microstructure of the Ni-Si hypereutectic alloy is refined with the increase of the solidification rate. The Ni-Si hypereutectic composite is mainly composed of α-Ni matrix, Ni-Ni3Si eutectic phase, and metastable Ni31Si12 phase. The solid/liquid interface always keeps planar interface no matter how high the solidification rate is increased. This is proved by the calculation in terms of M-S interface stability criterion. Moreover, the Ni-Si hypereutectic composites present higher micro-hardness as compared with that of the pure Ni3Si compound. This is caused by the formation of the metastable Ni31Si12 phase and NiSi phase during the directional solidification process.

Controlled growth of MoS2 nanopetals on the silicon nanowire array using the chemical vapor deposition method

NASA Astrophysics Data System (ADS)

Chen, Shang-Min; Lin, Yow-Jon

2018-01-01

In order to get a physical/chemical insight into the formation of nanoscale semiconductor heterojunctions, MoS2 flakes are deposited on the silicon nanowire (SiNW) array by chemical vapor deposition (CVD). In this study, H2O2 treatment provides a favorable place where the formation of Sisbnd O bonds on the SiNW surfaces that play important roles (i.e., the nucleation centers, catalyst control centers or ;seeds;) can dominate the growth of MoS2 on the SiNWs. Using this configuration, the effect of a change in the S/MoO3 mass ratio (MS/MMoO3) on the surface morphology of MoS2 is studied. It is shown that an increase in the value of MS/MMoO3 leads to the increased nucleation rate, increasing the size of MoS2 nanopetals. This study provides valuable scientific information for directly CVD-grown edge-oriented MoS2/SiNWs heterojunctions for various nanoscale applications, including hydrogen evolution reaction and electronic and optoelectronic devices.

Reduced surround inhibition in musicians.

PubMed

Shin, Hae-Won; Kang, Suk Y; Hallett, Mark; Sohn, Young H

2012-06-01

To investigate whether surround inhibition (SI) in the motor system is altered in professional musicians, we performed a transcranial magnetic stimulation (TMS) study in 10 professional musicians and 15 age-matched healthy non-musicians. TMS was set to be triggered by self-initiated flexion of the index finger at different intervals ranging from 3 to 1,000 ms. Average motor evoked potential (MEP) amplitudes obtained from self-triggered TMS were normalized to average MEPs of the control TMS at rest and expressed as a percentage. Normalized MEP amplitudes of the abductor digiti minimi (ADM) muscles were compared between the musicians and non-musicians with the primary analysis being the intervals between 3 and 80 ms (during the movement). A mixed-design ANOVA revealed a significant difference in normalized ADM MEPs during the index finger flexion between groups, with less SI in the musicians. This study demonstrated that the functional operation of SI is less strong in musicians than non-musicians, perhaps due to practice of movement synergies involving both muscles. Reduced SI, however, could lead susceptible musicians to be prone to develop task-specific dystonia.

Simultaneous quantification of paeoniflorin, nobiletin, tangeretin, liquiritigenin, isoliquiritigenin, liquiritin and formononetin from Si-Ni-San extract in rat plasma and tissues by liquid chromatography-tandem mass spectrometry.

PubMed

Li, Tianxue; Yan, Zhixiang; Zhou, Chen; Sun, Jian; Jiang, Chuan; Yang, Xinghao

2013-08-01

In this study, a sensitive and reliable liquid chromatography-tandem mass spectrometry (LC-MS/MS) method was developed and validated for the determination of seven bioactive components including paeoniflorin, nobiletin, tangeretin, liquiritigenin, isoliquiritigenin, liquiritin and formononetin in rat plasma and tissues after oral administration of Si-Ni-San extract using astragaloside IV as internal standard (IS). The plasma and tissue samples were extracted by solid-phase extraction. Chromatographic separation was accomplished on a C18 column with a multiple-step gradient elution. The quantification was obtained by scanning with multiple reaction monitoring via an electrospray ionization source that was operated by switching between the positive and negative modes in two MS/MS scan segments. Full validation of the assay was implemented. In conclusion, this method demonstrated good linearity and specificity. The lower limits of quantification for the analytes were <7.5 ng/mL. Intra- and inter-day precisions (RSD) were <12.5% and accuracy (RE) ranged from -10.2 to 7.3%. The average recoveries of the analytes from rat plasma and tissues were >65.2% and 58.6%, respectively. The validated method was further applied to the determination of actual rat plasma and tissues after oral administration of Si-Ni-San extract. The results provided a meaningful basis for the clinical application of this prescription. Copyright © 2013 John Wiley & Sons, Ltd.

Lumichrome and phenyllactic acid as chemical markers of thistle (Galactites tomentosa Moench) honey.

PubMed

Tuberoso, Carlo I G; Bifulco, Ersilia; Caboni, Pierluigi; Sarais, Giorgia; Cottiglia, Filippo; Floris, Ignazio

2011-01-12

HPLC-DAD-MS/MS chromatograms of thistle (Galactites tomentosa Moench) unifloral honeys, previously selected by sensory evaluation and melissopalynological analysis, showed high levels of two compounds. One was characterized as phenyllactic acid, a common acid found in honeys, but the other compound was very unusual for honeys. This compound was extracted from honey with ethyl acetate and purified by SPE using C(18), SiOH, and NH(2) phases. Its structure was elucidated on the basis of extensive 1D and 2D NMR experiments as well as HPLC-MS/MS and Q-TOF analysis, and it was identified as lumichrome (7,8-dimethylalloxazine). Lumichrome is known to be the main product of degradation obtained in acid medium from riboflavin (vitamin B(2)), and this is the first report of the presence of lumichrome in honeys. Analysis of the G. tomentosa raw honey and flowers extracts confirmed the floral origin of this compound. The average amount of lumichrome in thistle honey was 29.4 ± 14.9 mg/kg, while phenyllactic acid was 418.6 ± 168.9 mg/kg. Lumichrome, along with the unusual high level of phenyllactic acid, could be used as a marker for the botanical classification of unifloral thistle (G. tomentosa) honey.

Homeopathic Preparations of Quartz, Sulfur and Copper Sulfate Assessed by UV-Spectroscopy

PubMed Central

Wolf, Ursula; Wolf, Martin; Heusser, Peter; Thurneysen, André; Baumgartner, Stephan

2011-01-01

Homeopathic preparations are used in homeopathy and anthroposophic medicine. Although there is evidence of effectiveness in several clinical studies, including double-blinded randomized controlled trials, their nature and mode of action could not be explained with current scientific approaches yet. Several physical methods have already been applied to investigate homeopathic preparations but it is yet unclear which methods are best suited to identify characteristic physicochemical properties of homeopathic preparations. The aim of this study was to investigate homeopathic preparations with UV-spectroscopy. In a blinded, randomized, controlled experiment homeopathic preparations of copper sulfate (CuSO4; 11c–30c), quartz (SiO2; 10c–30c, i.e., centesimal dilution steps) and sulfur (S; 11×–30×, i.e., decimal dilution steps) and controls (one-time succussed diluent) were investigated using UV-spectroscopy and tested for contamination by inductively coupled plasma mass spectrometry (ICP-MS). The UV transmission for homeopathic preparations of CuSO4 preparations was significantly lower than in controls. The transmission seemed to be also lower for both SiO2 and S, but not significant. The mean effect size (95% confidence interval) was similar for the homeopathic preparations: CuSO4 (pooled data) 0.0544% (0.0260–0.0827%), SiO2 0.0323% (–0.0064% to 0.0710%) and S 0.0281% (–0.0520% to 0.1082%). UV transmission values of homeopathic preparations had a significantly higher variability compared to controls. In none of the samples the concentration of any element analyzed by ICP-MS exceeded 100 ppb. Lower transmission of UV light may indicate that homeopathic preparations are less structured or more dynamic than their succussed pure solvent. PMID:19474239

Improved assessment of multiple sclerosis lesion segmentation agreement via detection and outline error estimates

PubMed Central

2012-01-01

Background Presented is the method “Detection and Outline Error Estimates” (DOEE) for assessing rater agreement in the delineation of multiple sclerosis (MS) lesions. The DOEE method divides operator or rater assessment into two parts: 1) Detection Error (DE) -- rater agreement in detecting the same regions to mark, and 2) Outline Error (OE) -- agreement of the raters in outlining of the same lesion. Methods DE, OE and Similarity Index (SI) values were calculated for two raters tested on a set of 17 fluid-attenuated inversion-recovery (FLAIR) images of patients with MS. DE, OE, and SI values were tested for dependence with mean total area (MTA) of the raters' Region of Interests (ROIs). Results When correlated with MTA, neither DE (ρ = .056, p=.83) nor the ratio of OE to MTA (ρ = .23, p=.37), referred to as Outline Error Rate (OER), exhibited significant correlation. In contrast, SI is found to be strongly correlated with MTA (ρ = .75, p < .001). Furthermore, DE and OER values can be used to model the variation in SI with MTA. Conclusions The DE and OER indices are proposed as a better method than SI for comparing rater agreement of ROIs, which also provide specific information for raters to improve their agreement. PMID:22812697

Silicon isotope ratio measurements by inductively coupled plasma tandem mass spectrometry for alteration studies of nuclear waste glasses.

PubMed

Gourgiotis, Alkiviadis; Ducasse, Thomas; Barker, Evelyne; Jollivet, Patrick; Gin, Stéphane; Bassot, Sylvain; Cazala, Charlotte

2017-02-15

High-level, long-lived nuclear waste arising from spent fuel reprocessing is vitrified in silicate glasses for final disposal in deep geologic formations. In order to better understand the mechanisms driving glass dissolution, glass alteration studies, based on silicon isotope ratio monitoring of 29 Si-doped aqueous solutions, were carried out in laboratories. This work explores the capabilities of the new type of quadrupole-based ICP-MS, the Agilent 8800 tandem quadrupole ICP-MS/MS, for accurate silicon isotope ratio determination for alteration studies of nuclear waste glasses. In order to avoid silicon polyatomic interferences, a new analytical method was developed using O 2 as the reaction gas in the Octopole Reaction System (ORS), and silicon isotopes were measured in mass-shift mode. A careful analysis of the potential polyatomic interferences on SiO + and SiO 2 + ion species was performed, and we found that SiO + ion species suffer from important polyatomic interferences coming from the matrix of sample and standard solutions (0.5M HNO 3 ). For SiO 2 + , no interferences were detected, and thus, these ion species were chosen for silicon isotope ratio determination. A number of key settings for accurate isotope ratio analysis like, detector dead time, integration time, number of sweeps, wait time offset, memory blank and instrumental mass fractionation, were considered and optimized. Particular attention was paid to the optimization of abundance sensitivity of the quadrupole mass filter before the ORS. We showed that poor abundance sensitivity leads to a significant shift of the data away from the Exponential Mass Fractionation Law (EMFL) due to the spectral overlaps of silicon isotopes combined with different oxygen isotopes (i.e. 28 Si 16 O 18 O + , 30 Si 16 O 16 O + ). The developed method was validated by measuring a series of reference solutions with different 29 Si enrichment. Isotope ratio trueness, uncertainty and repeatability were found to be <0.2%, <0.5% and <0.6%, respectively. These performances meet the requirements of the studies of nuclear glasses alteration and open up possibilities to use this method for precise determination of silicon content in natural samples by Isotope Dilution. Copyright © 2016 Elsevier B.V. All rights reserved.

Enhanced PEC performance of nanoporous Si photoelectrodes by covering HfO2 and TiO2 passivation layers

PubMed Central

Xing, Zhuo; Ren, Feng; Wu, Hengyi; Wu, Liang; Wang, Xuening; Wang, Jingli; Wan, Da; Zhang, Guozhen; Jiang, Changzhong

2017-01-01

Nanostructured Si as the high efficiency photoelectrode material is hard to keep stable in aqueous for water splitting. Capping a passivation layer on the surface of Si is an effective way of protecting from oxidation. However, it is still not clear in the different mechanisms and effects between insulating oxide materials and oxide semiconductor materials as passivation layers. Here, we compare the passivation effects, the photoelectrochemical (PEC) properties, and the corresponding mechanisms between the HfO2/nanoporous-Si and the TiO2/nanoporous-Si by I–V curves, Motte-schottky (MS) curves, and electrochemical impedance spectroscopy (EIS). Although the saturated photocurrent densities of the TiO2/nanoporous Si are lower than that of the HfO2/nanoporous Si, the former is more stable than the later. PMID:28252106

Enhanced PEC performance of nanoporous Si photoelectrodes by covering HfO2 and TiO2 passivation layers

NASA Astrophysics Data System (ADS)

Xing, Zhuo; Ren, Feng; Wu, Hengyi; Wu, Liang; Wang, Xuening; Wang, Jingli; Wan, Da; Zhang, Guozhen; Jiang, Changzhong

2017-03-01

Nanostructured Si as the high efficiency photoelectrode material is hard to keep stable in aqueous for water splitting. Capping a passivation layer on the surface of Si is an effective way of protecting from oxidation. However, it is still not clear in the different mechanisms and effects between insulating oxide materials and oxide semiconductor materials as passivation layers. Here, we compare the passivation effects, the photoelectrochemical (PEC) properties, and the corresponding mechanisms between the HfO2/nanoporous-Si and the TiO2/nanoporous-Si by I-V curves, Motte-schottky (MS) curves, and electrochemical impedance spectroscopy (EIS). Although the saturated photocurrent densities of the TiO2/nanoporous Si are lower than that of the HfO2/nanoporous Si, the former is more stable than the later.

Enhanced PEC performance of nanoporous Si photoelectrodes by covering HfO2 and TiO2 passivation layers.

PubMed

Xing, Zhuo; Ren, Feng; Wu, Hengyi; Wu, Liang; Wang, Xuening; Wang, Jingli; Wan, Da; Zhang, Guozhen; Jiang, Changzhong

2017-03-02

Nanostructured Si as the high efficiency photoelectrode material is hard to keep stable in aqueous for water splitting. Capping a passivation layer on the surface of Si is an effective way of protecting from oxidation. However, it is still not clear in the different mechanisms and effects between insulating oxide materials and oxide semiconductor materials as passivation layers. Here, we compare the passivation effects, the photoelectrochemical (PEC) properties, and the corresponding mechanisms between the HfO 2 /nanoporous-Si and the TiO 2 /nanoporous-Si by I-V curves, Motte-schottky (MS) curves, and electrochemical impedance spectroscopy (EIS). Although the saturated photocurrent densities of the TiO 2 /nanoporous Si are lower than that of the HfO 2 /nanoporous Si, the former is more stable than the later.

Impact Resistance of Environmental Barrier Coated SiC/SiC Composites

NASA Technical Reports Server (NTRS)

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.

Gestural coupling and social cognition: Möbius Syndrome as a case study

PubMed Central

Krueger, Joel; Michael, John

2012-01-01

Social cognition researchers have become increasingly interested in the ways that behavioral, physiological, and neural coupling facilitate social interaction and interpersonal understanding. We distinguish two ways of conceptualizing the role of such coupling processes in social cognition: strong and moderate interactionism. According to strong interactionism (SI), low-level coupling processes are alternatives to higher-level individual cognitive processes; the former at least sometimes render the latter superfluous. Moderate interactionism (MI) on the other hand, is an integrative approach. Its guiding assumption is that higher-level cognitive processes are likely to have been shaped by the need to coordinate, modulate, and extract information from low-level coupling processes. In this paper, we present a case study on Möbius Syndrome (MS) in order to contrast SI and MI. We show how MS—a form of congenital bilateral facial paralysis—can be a fruitful source of insight for research exploring the relation between high-level cognition and low-level coupling. Lacking a capacity for facial expression, individuals with MS are deprived of a primary channel for gestural coupling. According to SI, they lack an essential enabling feature for social interaction and interpersonal understanding more generally and thus ought to exhibit severe deficits in these areas. We challenge SI's prediction and show how MS cases offer compelling reasons for instead adopting MI's pluralistic model of social interaction and interpersonal understanding. We conclude that investigations of coupling processes within social interaction should inform rather than marginalize or eliminate investigation of higher-level individual cognition. PMID:22514529

Assessment of Recovery of Milk Protein Allergens from Processed Food for Mass Spectrometry Quantification.

PubMed

Groves, Kate; Cryar, Adam; Walker, Michael; Quaglia, Milena

2018-01-01

Assessing the recovery of food allergens from solid processed matrixes is one of the most difficult steps that needs to be overcome to enable the accurate quantification of protein allergens by immunoassay and MS. A feasibility study is described herein applying International System of Units (SI)-traceably quantified milk protein solutions to assess recovery by an improved extraction method. Untargeted MS analysis suggests that this novel extraction method can be further developed to provide high recoveries for a broad range of food allergens. A solution of α-casein was traceably quantified to the SI for the content of α-S1 casein. Cookie dough was prepared by spiking a known amount of the SI-traceable quantified solution into a mixture of flour, sugar, and soya spread, followed by baking. A novel method for the extraction of protein food allergens from solid matrixes based on proteolytic digestion was developed, and its performance was compared with the performance of methods reported in the literature.

Multiscale microstructures and improved thermoelectric performance of Mg2(Si0.4Sn0.6)Sbx solid solutions

NASA Astrophysics Data System (ADS)

Zhang, Xin; Liu, Hongliang; Li, Songhao; Zhang, Feipeng; Lu, Qingmei; Li, Jingfeng

2014-03-01

A series of Sb-doped Mg2(Si0.4Sn0.6)Sbx (0 ≤ x ≤ 0.025) solid solutions were prepared by an induction melting, Melt Spinning (MS) and Spark Plasma Sintering (SPS) method, namely the non-equilibrium technique MS-SPS, using bulks of Magnesium, Silicon, Tin, and Antimony as raw materials. The non-equilibrium technique generates the unique multiscale microstructures of samples containing micronscale grains and nanoscale precipitates, the multiscale microstructures remarkably make the lattice thermal conductivities decreased, particularly for samples with the nanoscale precipitates having the size of 10-20 nm. Meanwhile, Sb-doping greatly increased the electrical performance of samples. Consequently, the Sb-doping combined with the multiscale microstructures strategy remarkably improves the overall thermoelectric (TE) performance of Sb doped samples, and a high dimensionless figure of merit (ZT) value of up to 1.25 at 723 K is obtained with Mg2(Si0.4Sn0.6)Sb0.02 sample in a relatively wide temperature range.

Interaction of bacteria and ion-exchange particles and its potential in separation for matrix-assisted laser desorption/ionization mass spectrometric identification of bacteria in water.

PubMed

Guo, Zhongxian; Liu, Ying; Li, Shuping; Yang, Zhaoguang

2009-12-01

Identification of microbial contaminants in drinking water is a challenge to matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) due to low levels of microorganisms in fresh water. To avoid the time-consuming culture step of obtaining enough microbial cells for subsequent MALDI-MS analysis, a combination of membrane filtration and nanoparticles- or microparticles-based magnetic separation is a fast and efficient approach. In this work, the interaction of bacteria and fluidMAG-PAA, a cation-exchange superparamagnetic nanomaterial, was investigated by MALDI-MS analysis and transmission electron microscopy. FluidMAG-PAA selectively captured cells of Salmonella, Bacillus, Enterococcus and Staphylococcus aureus. This capture was attributed to the aggregation of negatively charged nanoparticles on bacterial cell regional surfaces that bear positive charges. Three types of non-porous silica-encapsulated anion-exchange magnetic microparticles (SiMAG-Q, SiMAG-PEI, SiMAG-DEAE) were capable of concentrating a variety of bacteria, and were compared with silica-free, smaller fluidMAG particles. Salmonella, Escherichia coli, Enterococcus and other bacteria spiked in aqueous solutions, tap water and reservoir water were separated and concentrated by membrane filtration and magnetic separation based on these ion-exchange magnetic materials, and then characterized by whole cell MALDI-MS. By comparing with the mass spectra of the isolates and pure cells, bacteria in fresh water can be rapidly detected at 1 x 10(3) colony-forming units (cfu)/mL. Copyright 2009 John Wiley & Sons, Ltd.

Silica-based ionic liquid coating for 96-blade system for extraction of aminoacids from complex matrixes.

PubMed

Mousavi, Fatemeh; Pawliszyn, Janusz

2013-11-25

1-Vinyl-3-octadecylimidazolium bromide ionic liquid [C18VIm]Br was prepared and used for the modification of mercaptopropyl-functionalized silica (Si-MPS) through surface radical chain-transfer addition. The synthesized octadecylimidazolium-modified silica (SiImC18) was characterized by thermogravimetric analysis (TGA), infrared spectroscopy (IR), (13)C NMR and (29)Si NMR spectroscopy and used as an extraction phase for the automated 96-blade solid phase microextraction (SPME) system with thin-film geometry using polyacrylonitrile (PAN) glue. The new proposed extraction phase was applied for extraction of aminoacids from grape pulp, and LC-MS-MS method was developed for separation of model compounds. Extraction efficiency, reusability, linearity, limit of detection, limit of quantitation and matrix effect were evaluated. The whole process of sample preparation for the proposed method requires 270min for 96 samples simultaneously (60min preconditioning, 90min extraction, 60min desorption and 60min for carryover step) using 96-blade SPME system. Inter-blade and intra-blade reproducibility were in the respective ranges of 5-13 and 3-10% relative standard deviation (RSD) for all model compounds. Limits of detection and quantitation of the proposed SPME-LC-MS/MS system for analysis of analytes were found to range from 0.1 to 1.0 and 0.5 to 3.0μgL(-1), respectively. Standard addition calibration was applied for quantitative analysis of aminoacids from grape juice and the results were validated with solvent extraction (SE) technique. Copyright © 2013 Elsevier B.V. All rights reserved.

Accurate determination of non-metallic impurities in high purity tetramethylammonium hydroxide using inductively coupled plasma tandem mass spectrometry

NASA Astrophysics Data System (ADS)

Fu, Liang; Xie, Hualin; Shi, Shuyun; Chen, Xiaoqing

2018-06-01

The content of non-metallic impurities in high-purity tetramethylammonium hydroxide (HPTMAH) aqueous solution has an important influence on the yield, electrical properties and reliability of the integrated circuit during the process of chip etching and cleaning. Therefore, an efficient analytical method to directly quantify the content of non-metallic impurities in HPTMAH aqueous solutions is necessary. The present study was aimed to develop a novel method that can accurately determine seven non-metallic impurities (B, Si, P, S, Cl, As, and Se) in an aqueous solution of HPTMAH by inductively coupled plasma tandem mass spectrometry (ICP-MS/MS). The samples were measured using a direct injection method. In the MS/MS mode, oxygen and hydrogen were used as reaction gases in the octopole reaction system (ORS) to eliminate mass spectral interferences during the analytical process. The detection limits of B, Si, P, S, Cl, As, and Se were 0.31, 0.48, 0.051, 0.27, 3.10, 0.008, and 0.005 μg L-1, respectively. The samples were analyzed by the developed method and the sector field inductively coupled plasma mass spectrometry (SF-ICP-MS) was used for contrastive analysis. The values of these seven elements measured using ICP-MS/MS were consistent with those measured by SF-ICP-MS. The proposed method can be utilized to analyze non-metallic impurities in HPTMAH aqueous solution. Table S2 Multiple potential interferences on the analytes. Table S3 Parameters of calibration curve and the detection limit (DL). Table S4 Results obtained for 25% concentration high-purity grade TMAH aqueous solution samples (μg L-1, mean ± standard deviation, n = 10).

Formation of High-Quality μm-Order-Thick Poly-Si Films on Glass-Substrates by Flash Lamp Annealing

NASA Astrophysics Data System (ADS)

Ohdaira, Keisuke

Flash lamp annealing (FLA), millisecond-order discharge from Xe lamps, can form a few μm-thick polycrystalline Si (poly-Si) films by crystallizing precursor amorphous Si (a-Si) films prepared on low-cost substrates without serious thermal damage onto the whole glass substrates, thanks to its proper annealing duration. The FLA of a-Si films can induce lateral explosive crystallization (EC), self-catalytic crystallization driven by the release of latent heat. Periodic structures with a spacing of ˜1 μm are spontaneously left behind on and inside flash-lamp-crystallized (FLC) poly-Si films formed, when chemical-vapor-deposited (CVD) or sputtered a-Si films are used as precursor films. These microstructures result from the alternative emergence of two types of crystallization with different mechanisms during FLA: one is governed only by solid-phase nucleation (SPN) and the other includes SPN and partial liquid-phase epitaxy (LPE), resulting in the formation of grains with sizes of 10-500 nm. This rapid lateral crystallization leads to the complete preservation of abrupt dopant profiles, which is favorable for device fabrication. This particular crystallization also results in the suppression of hydrogen desorption during FLA, which realizes the formation of poly-Si films with hydrogen atoms on the order of 1021/cm3. Hydrogen atoms in poly-Si films probably act to reduce defect density, which can be on the order of 1016/cm3 after conventional furnace annealing in inert gas atmosphere. These features are suitable for the realization of high-efficiency thin-film poly-Si solar cells. Furthermore, a different type of EC can occur when using electron-beam-(EB-) evaporated a-Si films as precursor films. All the grains in the FLC poly-Si films formed stretch along lateral crystallization direction, and the length of grains is typically more than 10 μm. Based on the results of multi-pulse FLA technique, the velocity of EC is estimated to be ˜14 m/s, which corresponds to the speed of LPE at around the melting point of a-Si, indicating that this EC occurs completely in liquid phase. This approach to form large-grain poly-Si films can also contribute to realizing high-performance solar cells.

Examination of the Mass Transfer of Additive Elements in Barium Titanate Ceramics during Sintering Process by Laser Ablation ICP-MS.

PubMed

Sakate, Daisuke; Iwazaki, Yoshiki; Kon, Yoshiaki; Yokoyama, Takaomi; Ohata, Masaki

2018-01-01

The mass transfer of additive elements during the sintering of barium titanate (BaTiO 3 ) ceramic was examined by laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) in the present study. An analytical sample consisting of two pellets of BaTiO 3 with different concentrations of additive elements of manganese (Mn) and holmium (Ho) as well as silicon (Si) as a sintering reagent was prepared and measured by LA-ICP-MS with small laser irradiated diameter of 10 μm to evaluate the distributions and concentrations of additive elements in order to examine their mass transfers. As results, enrichments of Mn and Si as an additive element and a sintering reagent, respectively, were observed on the adhesive surface between two BaTiO 3 pellets, even though Ho did not show a similar phenomenon. The mass transfers of additive elements of Mn and Ho were also examined, and Mn seemed to show a larger mass transfer than that of Ho during the sintering process for BaTiO 3 ceramics. The results obtained in this study shows the effectives of LA-ICP-MS for the future improvement of MLCCs.

Synthesis of oxide and nitride ceramics in high-power gyrotron discharge

NASA Astrophysics Data System (ADS)

Akhmadullina, N. S.; Skvortsova, N. N.; Obraztsova, E. A.; Stepakhin, V. D.; Konchekov, E. M.; Kargin, Yu F.; Shishilov, O. N.

2017-12-01

Synthesis of oxides, nitrides, and oxynitrides of silicon and aluminium by a pulsed microwave discharge in the mixtures of metal and dielectric powders is described. The microwave pulses were generated by high-power gyrotron (frequency 75 GHz, power up to 550 kW, pulse duration from 0.1 to 15ms). SiO2 + β-Si3N4 (1:1 by molar) and α-Al2O3 + AlN (2:1 by molar) mixtures with Mg (1 and 5wt%) were treated in air with microwave pulses with power of 250÷400 kW and duration of 2÷8 ms. It was found that the discharge cannot be initiated for both mixtures in absence of Mg at any pulse power and duration. When 1% of Mg was added, the discharge was observed for both mixtures under 8 ms pulses of 400 kW; however, the amounts of materials produced were not enough for analysis. With 5% of Mg the discharge was observed for both mixtures under 8 ms pulses of 350 kW, and products of the plasma-chemical processes in the Al2O3 + AlN mixture were analyzed.

RhBMP-2 loaded 3D-printed mesoporous silica/calcium phosphate cement porous scaffolds with enhanced vascularization and osteogenesis properties

NASA Astrophysics Data System (ADS)

Li, Cuidi; Jiang, Chuan; Deng, Yuan; Li, Tao; Li, Ning; Peng, Mingzheng; Wang, Jinwu

2017-01-01

A major limitation in the development of effective scaffolds for bone regeneration has been the limited vascularization of the regenerating tissue. Here, we propose the development of a novel calcium phosphate cement (CPC)-based scaffold combining the properties of mesoporous silica (MS) with recombinant human bone morphogenic protein-2 (rhBMP-2) to facilitate vascularization and osteogenesis. Specifically, the development of a custom MS/CPC paste allowed the three-dimensional (3D) printing of scaffolds with a defined macroporous structure and optimized silicon (Si) ions release profile to promote the ingrowth of vascular tissue at an early stage after implantation in support of tissue viability and osteogenesis. In addition, the scaffold microstructure allowed the prolonged release of rhBMP-2, which in turn significantly stimulated the osteogenesis of human bone marrow stromal cells in vitro and of bone regeneration in vivo as shown in a rabbit femur defect repair model. Thus, the combination MS/CPC/rhBMP-2 scaffolds might provide a solution to issues of tissue necrosis during the regeneration process and therefore might be able to be readily developed into a useful tool for bone repair in the clinic.

Disinfection of waterborne viruses using silver nanoparticle-decorated silica hybrid composites in water environments.

PubMed

Park, SungJun; Ko, Young-Seon; Jung, Haeyong; Lee, Cheonghoon; Woo, Kyoungja; Ko, GwangPyo

2018-06-01

Silver nanoparticles (AgNPs) have been reported as an effective alternative for controlling a broad-spectrum of pathogenic viruses. We developed a micrometer-sized silica hybrid composite decorated with AgNPs (AgNP-SiO 2 ) to prevent the inherent aggregation of AgNPs, and facilitated their recovery from environmental media after use. The production process had a high-yield, and fabrication was cost-effective. We evaluated the antiviral capabilities of Ag30-SiO 2 particles against two model viruses, bacteriophage MS2 and murine norovirus (MNV), in four different types of water (deionized, tap, surface, and ground). MNV was more susceptible to Ag30-SiO 2 particles in all four types of water compared to MS2. Furthermore, several water-related factors, including temperature and organic matter content, were shown to affect the antimicrobial capabilities of Ag30-SiO 2 particles. The modified Hom model was the best-fit disinfection model for MNV disinfection in the different types of water. Additionally, this study demonstrated that the effects of a certain level of physical obstacles in water were negligible in regards to the use of Ag30-SiO 2 particles. Thus, effective use of AgNPs in water disinfection processes can be achieved using our novel hybrid composites to inactivate various waterborne viruses. Copyright © 2018 Elsevier B.V. All rights reserved.

In-situ High-energy X-ray Diffraction Study of the Local Structure of Supercooled Liquid Si

NASA Technical Reports Server (NTRS)

Lee, G. W.; Kim, T. H.; Sieve, B.; Gangopadhyay, A. K.; Hyers, R. W.; Rathz, T. J.; Rogers, J. R.; Robinson, D. S.; Kelton, K. F.; Goldman, A. I.

2005-01-01

While changes in the coordination number for liquid silicon upon supercooling, signaling an underlying liquid-liquid phase transition, have been predicted, x-ray and neutron measurements have produced conflicting reports. In particular some studies have found an increase in the first shell coordination as temperature decreases in the supercooled regime, while others have reported increases in the coordination number with decreasing temperature. Employing the technique of electrostatic levitation coupled with high energy x-ray diffraction (125 keV), and rapid data acquisition (100ms collection times) using an area detector, we have obtained high quality structural data more deeply into the supercooled regime than has been possible before. No change in coordination number is observed in this temperature region, calling into question previous experimental claims of structural evidence for the existence of a liquid-liquid phase transition.

Nitridation of silicon. M.S. Thesis Case Western Reserve Univ.

NASA Technical Reports Server (NTRS)

Shaw, N. J.

1981-01-01

Silicon powders with three levels of impurities, principally Fe, were sintered in He or H2. Non-densifying mechanisms of material transport were dominant in all cases. High purity Si showed coarsening in He while particle growth was suppressed in H2. Lower purity powder coarsened in both He and H2. The same three Si powders and Si /111/ single crystal wafers were nitrided in both N2 and N2/H2 atmospheres. Hydrogen increased the degree of nitridation of all three powders and the alpha/beta ratio of the lower purity powder. Some Si3N4 whiskers and open channels through the surface nitride layer were observed in the presence of Fe, correlating with the nitridation-enhancing effects of Fe. Thermodynamic calculations showed that when SiO2 is present on the Si, addition of H2 to the nitriding atmosphere decreases the amount of SiO2 and increases the partial pressure of Si-containing vapor species, that is, Si and SiO. Large amounts of NH3 and SiH4 were also predicted to form.

Polymer thermal optical switch for a flexible photonic circuit.

PubMed

Sun, Yue; Cao, Yue; Wang, Qi; Yi, Yunji; Sun, Xiaoqiang; Wu, Yuanda; Wang, Fei; Zhang, Daming

2018-01-01

Flexible and wearable optoelectronic devices are the new trend for an active lifestyle. These devices are polymer-based for flexibility. We demonstrated flexible polymer waveguide optical switches for a flexible photonic integrated circuit. The optical switches are composed of a single-mode inverted waveguide with dimensions of 5 μm waveguide width, 3 μm ridge height, and 3 μm slab height. A Mach-Zehnder structure was used in the device, with the Y-branch horizontal length of 0.1 cm, the distance between two heating branches of 30 μm, and the heating branch length of 1 cm. The optical field of the device was simulated by beam propagation to optimize the electrode position. The switching properties of the flexible optical switch with different working conditions, such as contact to the polymer, silicon, and skin, were simulated. The device was prepared based on the photo curved polymer and lithography method. The end faces of the flexible film device were processed using an excimer laser with optimized parameters of 28  mJ/cm 2 and 15 Hz. The response rise time and fall time on the PMMA substrate were measured as 1.98 ms and 2.71 ms, respectively. The power consumption was 16 mW and the extinction ratio was 11 dB. The response rise and fall times on the Si substrate were measured as 1.08 ms and 1.62 ms, respectively. The power consumption was 17 mW and the extinction ratio was 11 dB. The demonstrated properties indicate that this flexible optical waveguide structure can be used in the light control area of a wearable device.

Structure and properties of B20Si-/0/+ clusters

NASA Astrophysics Data System (ADS)

Lu, Qi Liang; Luo, Qi Quan; Li, Yi De; Huang, Shou Guo

2018-06-01

A global search for the lowest energy structure of B20Si-, B20Si0 and B20Si+ clusters is conducted. Structural transitions at different charge states are observed. B20Si- is a 2D planar configuration with no polygonal holes, and Si atom occupies a peripheral position. B20Si+ adopts a 3D tubular shape, and each Si is bonded with four B atoms. But for B20Si0, competition among quasi-planar, tubular and cage like structures is found. These structures differ greatly from that of pure B21 - cluster. The structural transition may result from changes in the framework of bonding, sp 2 hybridization, and structural mechanics. Some of the clusters' properties including frontier molecular orbital, on-site charge on Si atom, electron density, and magnetism are also discussed.

Lavoisierite, Mn2+ 8[Al10(Mn3+Mg)][Si11P]O44(OH)12, a new mineral from Piedmont, Italy: the link between "ardennite" and sursassite

NASA Astrophysics Data System (ADS)

Orlandi, Paolo; Biagioni, Cristian; Pasero, Marco; Mellini, Marcello

2013-03-01

The new mineral species lavoisierite, ideally Mn2+ 8[Al10(Mn3+Mg)][Si11P]O44(OH)12, has been discovered in piemontite-bearing micaschists belonging to the Piedmontese Nappe from Punta Gensane, Viù Valley, Western Alps, Italy. It occurs as yellow-orange acicular to prismatic-tabular crystals up to a few millimeters in length, with white streak and vitreous luster, elongated along [010] and flattened on {001}. Lavoisierite is associated with quartz, "mica," sursassite, piemontite, spessartine, braunite, and "tourmaline." Calculated density is 3.576 g cm-3. In plane-polarized light, it is transparent, pleochroic, with pale yellow parallel to [010] and yellow-orange normal to this direction; extinction is parallel and elongation is positive. Birefringence is moderate; the calculated average refraction index n is 1.750. Lavoisierite is orthorhombic, space group Pnmm, with a 8.6891(10), b 5.7755(3), c 36.9504(20) Å, V 1854.3(2) Å3, Z = 2. Calculated main diffraction lines of the X-ray powder diffraction pattern are [ d in Å, ( I), ( hkl); relative intensities are visually estimated]: 4.62 (m) (112), 2.931 (vs) (11 10), 2.765 (s) (11 11), 2.598 (s) (310), 2.448 (ms) (028). Chemical analyses by electron microprobe give (in wt%) P2O5 2.08, V2O5 0.37, SiO2 34.81, TiO2 0.13, Al2O3 22.92, Cr2O3 0.32, Fe2O3 0.86, Mn2O3 6.92, MnO 19.09, MgO 5.73, CaO 1.94, Na2O 0.01, H2O 5.44, sum 100.62 wt%. H2O content was calculated from structure refinement. The empirical formula, based on 56 anions, is (Mn{5.340/2+}Mg1.810Ca0.686Na0.006)Σ=7.852(Al8.921Mn{1.739/3+}Mg1.010Fe{0.214/3+}Cr0.084Ti0.032)Σ=12.000(Si11.496P0.582V0.081)Σ=12.159O43.995(OH)12.005. The crystal structure of lavoisierite was solved by direct methods and refined on the basis of 1743 observed reflections to R 1 = 4.6 %. The structure is characterized by columns of edge-sharing octahedra running along [010] and linked to each other by means of [SiO4], [Si2O7], and [Si3O10] groups. Lavoisierite, named after the French chemist and biologist Antoine-Laurent de Lavoisier (1743-1794), displays an unprecedented kind of structure, related to those of "ardennite" and sursassite.

Electron-impact ionization of silicon tetrachloride (SiCl4).

PubMed

Basner, R; Gutkin, M; Mahoney, J; Tarnovsky, V; Deutsch, H; Becker, K

2005-08-01

We measured absolute partial cross sections for the formation of various singly charged and doubly charged positive ions produced by electron impact on silicon tetrachloride (SiCl4) using two different experimental techniques, a time-of-flight mass spectrometer (TOF-MS) and a fast-neutral-beam apparatus. The energy range covered was from the threshold to 900 eV in the TOF-MS and to 200 eV in the fast-neutral-beam apparatus. The results obtained by the two different experimental techniques were found to agree very well (better than their combined margins of error). The SiCl3(+) fragment ion has the largest partial ionization cross section with a maximum value of slightly above 6x10(-20) m2 at about 100 eV. The cross sections for the formation of SiCl4(+), SiCl+, and Cl+ have maximum values around 4x10(-20) m2. Some of the cross-section curves exhibit an unusual energy dependence with a pronounced low-energy maximum at an energy around 30 eV followed by a broad second maximum at around 100 eV. This is similar to what has been observed by us earlier for another Cl-containing molecule, TiCl4 [R. Basner, M. Schmidt, V. Tamovsky, H. Deutsch, and K. Becker, Thin Solid Films 374 291 (2000)]. The maximum cross-section values for the formation of the doubly charged ions, with the exception of SiCl3(++), are 0.05x10(-20) m2 or less. The experimentally determined total single ionization cross section of SiCl4 is compared with the results of semiempirical calculations.

Can we identify source lithology of basalt?

PubMed

Yang, Zong-Feng; Zhou, Jun-Hong

2013-01-01

The nature of source rocks of basaltic magmas plays a fundamental role in understanding the composition, structure and evolution of the solid earth. However, identification of source lithology of basalts remains uncertainty. Using a parameterization of multi-decadal melting experiments on a variety of peridotite and pyroxenite, we show here that a parameter called FC3MS value (FeO/CaO-3*MgO/SiO2, all in wt%) can identify most pyroxenite-derived basalts. The continental oceanic island basalt-like volcanic rocks (MgO>7.5%) (C-OIB) in eastern China and Mongolia are too high in the FC3MS value to be derived from peridotite source. The majority of the C-OIB in phase diagrams are equilibrium with garnet and clinopyroxene, indicating that garnet pyroxenite is the dominant source lithology. Our results demonstrate that many reputed evolved low magnesian C-OIBs in fact represent primary pyroxenite melts, suggesting that many previous geological and petrological interpretations of basalts based on the single peridotite model need to be reconsidered.

Can we identify source lithology of basalt?

PubMed Central

Yang, Zong-Feng; Zhou, Jun-Hong

2013-01-01

The nature of source rocks of basaltic magmas plays a fundamental role in understanding the composition, structure and evolution of the solid earth. However, identification of source lithology of basalts remains uncertainty. Using a parameterization of multi-decadal melting experiments on a variety of peridotite and pyroxenite, we show here that a parameter called FC3MS value (FeO/CaO-3*MgO/SiO2, all in wt%) can identify most pyroxenite-derived basalts. The continental oceanic island basalt-like volcanic rocks (MgO>7.5%) (C-OIB) in eastern China and Mongolia are too high in the FC3MS value to be derived from peridotite source. The majority of the C-OIB in phase diagrams are equilibrium with garnet and clinopyroxene, indicating that garnet pyroxenite is the dominant source lithology. Our results demonstrate that many reputed evolved low magnesian C-OIBs in fact represent primary pyroxenite melts, suggesting that many previous geological and petrological interpretations of basalts based on the single peridotite model need to be reconsidered. PMID:23676779

Evolving artificial metalloenzymes via random mutagenesis

NASA Astrophysics Data System (ADS)

Yang, Hao; Swartz, Alan M.; Park, Hyun June; Srivastava, Poonam; Ellis-Guardiola, Ken; Upp, David M.; Lee, Gihoon; Belsare, Ketaki; Gu, Yifan; Zhang, Chen; Moellering, Raymond E.; Lewis, Jared C.

2018-03-01

Random mutagenesis has the potential to optimize the efficiency and selectivity of protein catalysts without requiring detailed knowledge of protein structure; however, introducing synthetic metal cofactors complicates the expression and screening of enzyme libraries, and activity arising from free cofactor must be eliminated. Here we report an efficient platform to create and screen libraries of artificial metalloenzymes (ArMs) via random mutagenesis, which we use to evolve highly selective dirhodium cyclopropanases. Error-prone PCR and combinatorial codon mutagenesis enabled multiplexed analysis of random mutations, including at sites distal to the putative ArM active site that are difficult to identify using targeted mutagenesis approaches. Variants that exhibited significantly improved selectivity for each of the cyclopropane product enantiomers were identified, and higher activity than previously reported ArM cyclopropanases obtained via targeted mutagenesis was also observed. This improved selectivity carried over to other dirhodium-catalysed transformations, including N-H, S-H and Si-H insertion, demonstrating that ArMs evolved for one reaction can serve as starting points to evolve catalysts for others.

U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.

PubMed

Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel

2006-07-12

Reaction of U(NEt(2))(4) with HS-2,4,6-(t)Bu(3)C(6)H(2) (HSMes) gave U(SMes)(3)(NEt(2))(py) (1), whereas similar treatment of U[N(SiMe(3))SiMe(2)CH(2)][N(SiMe(3))(2)](2) afforded U(SMes)[N(SiMe(3))(2)](3) (2) and U(SMes)(3)[N(SiMe(3))(2)]. The first neutral homoleptic uranium(IV) thiolate to have been crystallographically characterized, U(SMes)(4) (4), was isolated from the reaction of U(BH(4))(4) and KSMes. The first homoleptic thiolate complex of uranium(III), U(SMes)(3) (5), was synthesized by protonolysis of U[N(SiMe(3))(2)](3) with HSMes in cyclohexane. The crystal structure of 5 exhibits the novel eta(3) ligation mode for the arylthiolate ligand. Comparison of the crystal structure of 5 with those of the isomorphous lanthanide congeners Ln(SMes)(3) (Ln = La, Ce, Pr, and Nd) indicates that the U-S, U-C(ipso)(), and U-C(ortho)() bond lengths are shorter than the corresponding ones in the 4f-element analogues, when taking into account the variation in the ionic radii of the metals. The distance between the uranium and the carbon atoms involved in the U...H-C epsilon agostic interaction of each thiolate ligand is shorter, by approximately 0.05 A, than that expected from a purely ionic bonding model. The lanthanide(III)/actinide(III) differentiation was analyzed by density functional theory (DFT). The nature of the M-S bond is shown to be ionic strongly polarized at the sulfur for M = U and iono-covalent (i.e. strongly ionic with low orbital interaction), for M = Ln. The strength of the U...H-C epsilon agostic interaction is proposed to be controlled by the maximization of the interaction between U(+) and S(-) under steric constraints. The eta(3) ligation mode of the arylthiolate ligand is also obtained from DFT.

Heat sensitive persons with multiple sclerosis are more tolerant to resistance exercise than to endurance exercise.

PubMed

Skjerbæk, Anders G; Møller, Andreas B; Jensen, Ellen; Vissing, Kristian; Sørensen, Henrik; Nybo, Lars; Stenager, Egon; Dalgas, Ulrik

2013-06-01

Heat sensitivity (HS) is reported by 58% of all persons with multiple sclerosis (MS), causing symptom exacerbation possibly limiting exercise participation. The purpose of this study was to test the hypotheses that (a) a relationship between exercise-induced changes in core-temperature (C(temp)) and changes in symptom intensity exists, and (b) that resistance exercise (RE), as a consequence of a minor increase in core temperature, will induce a lesser worsening of symptoms than endurance exercise (EE) in HS persons with MS. On two separate days, 16 HS persons with MS randomly completed a session of RE and EE, or EE and RE, respectively. Testing was conducted pre, post and one hour after exercise and consisted of Visual Analogue Scale (VAS) scoring (fatigue, spasticity, pain, strength, walking and balance), the 5-time sit-to-stand (5STS), the Multiple Sclerosis Functional Composite (MSFC) and Body Sway. Composite scores describing average subjective symptom intensity (SI) and total number of symptoms (SN) were calculated from VAS scores. C(temp) (0.9±0.4°C vs 0.3±0.1°C, p<0.001), SI (1.7±1.9 cm vs 0.6±1.5 cm, p<0.05) and SN (1.6±1.9 vs 0.6±2.1, p<0.05) increased significantly more during EE than RE. Changes in C(temp) correlated to changes in SI (r=0.50, p<0.01). No differences were observed in 5STS, MSFC and Body Sway scores after EE when compared to RE. An exercise-induced increase in C(temp) is associated with increased number and severity of perceived symptoms in HS persons with MS. Based on these findings it is expected that HS persons with MS do tolerate RE better than EE.

Cortical processing of tactile stimuli applied in quick succession across the fingertips: temporal evolution of dipole sources revealed by magnetoencephalography.

PubMed

Karageorgiou, Elissaios; Koutlas, Ioannis G; Alonso, Aurelio A; Leuthold, Arthur C; Lewis, Scott M; Georgopoulos, Apostolos P

2008-08-01

We used magnetoencephalography (MEG) in 10 healthy human subjects to study cortical responses to tactile stimuli applied to the fingertips of digits 2-5 of the right hand. Each stimulus lasted 50 ms and was produced by air-driven elastic membranes. Four-hundred stimuli were delivered on each finger in three temporal patterns (conditions). In the "Discrete" condition, stimuli were applied to each finger repetitively with an interstimulus interval (ISI) of 1-2 s. In the "Continuous" condition, stimuli were applied to the fingers sequentially as four-stimulus trains with zero ISI and 1-2 s intervening between trains. Finally, in the "Gap" condition, stimuli were applied as in the Continuous condition but with an ISI of 50 ms. A sensation of tactile motion across fingers (digit 2 --> digit 5) was reported by all subjects in the Continuous and Gap conditions. Cortical responses were extracted as single equivalent current dipoles over a period of 1 s following stimulus onset. In all three conditions, initial responses in left primary somatosensory cortex (SI) were observed ~20 to 50 ms after stimulus onset and were followed by additional left SI responses and bilateral responses in the secondary somatosensory cortex (SII). In addition, in the Continuous and Gap conditions, there was an activation of the precentral gyrus, the temporal aspects of which depended on the temporal relation of the administered stimuli, as follows. An ISI of 0 ms led to activation of the precentral gyrus shortly after the second stimulation, whereas an ISI of 50 ms led to activation of the precentral gyrus after the third stimulation. The current findings support results from previous studies on temporal activity patterns in SI and SII, verify the participation of the precentral gyrus during tactile motion perception and, in addition, reveal aspects of integration of sequential sensory stimulations over nonadjacent areas as well as temporal activity patterns in the postcentral and precentral gyri.

Tuning of Schottky barrier height of Al/n-Si by electron beam irradiation

NASA Astrophysics Data System (ADS)

Vali, Indudhar Panduranga; Shetty, Pramoda Kumara; Mahesha, M. G.; Petwal, V. C.; Dwivedi, Jishnu; Choudhary, R. J.

2017-06-01

The effect of electron beam irradiation (EBI) on Al/n-Si Schottky diode has been studied by I-V characterization at room temperature. The behavior of the metal-semiconductor (MS) interface is analyzed by means of variations in the MS contact parameters such as, Schottky barrier height (ΦB), ideality factor (n) and series resistance (Rs). These parameters were found to depend on the EBI dose having a fixed incident beam of energy 7.5 MeV. At different doses (500, 1000, 1500 kGy) of EBI, the Schottky contacts were prepared and extracted their contact parameters by applying thermionic emission and Cheung models. Remarkably, the tuning of ΦB was observed as a function of EBI dose. The improved n with increased ΦB is seen for all the EBI doses. As a consequence of which the thermionic emission is more favored. However, the competing transport mechanisms such as space charge limited emission, tunneling and tunneling through the trap states were ascribed due to n > 1. The analysis of XPS spectra have shown the presence of native oxide and increased radiation induced defect states. The thickness variation in the MS interface contributing to Schottky contact behavior is discussed. This study explains a new technique to tune Schottky contact parameters by metal deposition on the electron beam irradiated n-Si wafers.

Friction and Wear Properties of CrSiCN/SiC Tribopairs in Water Lubrication

NASA Astrophysics Data System (ADS)

Wu, Zhiwei; Zhou, Fei; Wang, Qianzhi

2018-05-01

CrSiCN coatings (3.4 at.% Si) were prepared on 316L stainless steels using unbalanced magnetron sputtering. According to the analysis results of x-ray diffractometer and x-ray photoelectrons spectroscopy, silicon in CrSiCN coatings mainly presented in the amorphous forms of a-SiN, a-SiCN and a-SiC. The hardness and Young's modulus of CrSiN coatings were 19.4 ± 0.6 and 306.1 ± 5.9 GPa, respectively. In addition, the ball-on-disk sliding tests of CrSiCN/SiC tribopairs were performed in distilled water at varying velocities (0.1-0.5 m/s) and loads (2-12 N). The friction coefficient of tribopairs presented a decreasing trend with respect to velocity at low applied loads (≤ 4 N). To be specific, the low friction coefficient of 0.05-0.14 accompanied with polished wear scar was obtained at high velocities and low loads. Finally, the wear mechanism map of CrSiCN/SiC tribopairs was proposed based on a combination of friction coefficient, wear scar morphology and wear rates of tribopairs.

X-ray absorption spectroscopy study on SiC-side interface structure of SiO2–SiC formed by thermal oxidation in dry oxygen

NASA Astrophysics Data System (ADS)

Isomura, Noritake; Kosaka, Satoru; Kataoka, Keita; Watanabe, Yukihiko; Kimoto, Yasuji

2018-06-01

Extended X-ray absorption fine structure (EXAFS) spectroscopy is demonstrated to measure the fine atomic structure of SiO2–SiC interfaces. The SiC-side of the interface can be measured by fabricating thin SiO2 films and using SiC-selective EXAFS measurements. Fourier transforms of the oscillations of the EXAFS spectra correspond to radial-structure functions and reveal a new peak of the first nearest neighbor of Si for m-face SiC, which does not appear in measurements of the Si-face. This finding suggests that the m-face interface could include a structure with shorter Si–C distances. Numerical calculations provide additional support for this finding.

Theoretical investigation of Lamb wave characteristics in AlN/3C-SiC composite membranes

NASA Astrophysics Data System (ADS)

Lin, Chih-Ming; Chen, Yung-Yu; Pisano, Albert P.

2010-11-01

Cubic silicon carbide (3C-SiC) layer can provide advantages of high frequency and high quality factor for Lamb wave devices due to the superior properties of high acoustic velocity and low acoustic loss. In this study, Lamb wave propagation characteristics in composite membranes consisting of a c-axis oriented aluminum nitride (AlN) film and an epitaxial 3C-SiC (100) layer are investigated by theoretical calculation. The lowest symmetric mode Lamb wave propagating along the [011] direction exhibits a phase velocity higher than 10 000 m/s and an electromechanical coupling coefficient above 2% in the AlN/3C-SiC multilayered membranes.

Preliminary Assessment of Wind and Wave Retrieval from Chinese Gaofen-3 SAR Imagery

PubMed Central

Sun, Jian

2017-01-01

The Chinese Gaofen-3 (GF-3) synthetic aperture radar (SAR) launched by the China Academy of Space Technology (CAST) has operated at C-band since September 2016. To date, we have collected 16/42 images in vertical-vertical (VV)/horizontal-horizontal (HH) polarization, covering the National Data Buoy Center (NDBC) buoy measurements of the National Oceanic and Atmospheric Administration (NOAA) around U.S. western coastal waters. Wind speeds from NDBC in situ buoys are up to 15 m/s and buoy-measured significant wave height (SWH) has ranged from 0.5 m to 3 m. In this study, winds were retrieved using the geophysical model function (GMF) together with the polarization ratio (PR) model and waves were retrieved using a new empirical algorithm based on SAR cutoff wavelength in satellite flight direction, herein called CSAR_WAVE. Validation against buoy measurements shows a 1.4/1.9 m/s root mean square error (RMSE) of wind speed and a 24/23% scatter index (SI) of SWH for VV/HH polarization. In addition, wind and wave retrieval results from 166 GF-3 images were compared with the European Centre for Medium-Range Weather Forecasts (ECMWF) re-analysis winds, as well as the SWH from the WaveWatch-III model, respectively. Comparisons show a 2.0 m/s RMSE for wind speed with a 36% SI of SWH for VV-polarization and a 2.2 m/s RMSE for wind speed with a 37% SI of SWH for HH-polarization. Our work gives a preliminary assessment of the wind and wave retrieval results from GF-3 SAR images for the first time and will provide guidance for marine applications of GF-3 SAR. PMID:28757571

Quick-EXAFS setup at the SuperXAS beamline for in situ X-ray absorption spectroscopy with 10 ms time resolution

PubMed Central

Müller, Oliver; Nachtegaal, Maarten; Just, Justus; Lützenkirchen-Hecht, Dirk; Frahm, Ronald

2016-01-01

The quick-EXAFS (QEXAFS) method adds time resolution to X-ray absorption spectroscopy (XAS) and allows dynamic structural changes to be followed. A completely new QEXAFS setup consisting of monochromator, detectors and data acquisition system is presented, as installed at the SuperXAS bending-magnet beamline at the Swiss Light Source (Paul Scherrer Institute, Switzerland). The monochromator uses Si(111) and Si(311) channel-cut crystals mounted on one crystal stage, and remote exchange allows an energy range from 4.0 keV to 32 keV to be covered. The spectral scan range can be electronically adjusted up to several keV to cover multiple absorption edges in one scan. The determination of the Bragg angle close to the position of the crystals allows high-accuracy measurements. Absorption spectra can be acquired with fast gridded ionization chambers at oscillation frequencies of up to 50 Hz resulting in a time resolution of 10 ms, using both scan directions of each oscillation period. The carefully developed low-noise detector system yields high-quality absorption data. The unique setup allows both state-of-the-art QEXAFS and stable step-scan operation without the need to exchange whole monochromators. The long-term stability of the Bragg angle was investigated and absorption spectra of reference materials as well as of a fast chemical reaction demonstrate the overall capabilities of the new setup. PMID:26698072

Quick-EXAFS setup at the SuperXAS beamline for in situ X-ray absorption spectroscopy with 10 ms time resolution.

PubMed

Müller, Oliver; Nachtegaal, Maarten; Just, Justus; Lützenkirchen-Hecht, Dirk; Frahm, Ronald

2016-01-01

The quick-EXAFS (QEXAFS) method adds time resolution to X-ray absorption spectroscopy (XAS) and allows dynamic structural changes to be followed. A completely new QEXAFS setup consisting of monochromator, detectors and data acquisition system is presented, as installed at the SuperXAS bending-magnet beamline at the Swiss Light Source (Paul Scherrer Institute, Switzerland). The monochromator uses Si(111) and Si(311) channel-cut crystals mounted on one crystal stage, and remote exchange allows an energy range from 4.0 keV to 32 keV to be covered. The spectral scan range can be electronically adjusted up to several keV to cover multiple absorption edges in one scan. The determination of the Bragg angle close to the position of the crystals allows high-accuracy measurements. Absorption spectra can be acquired with fast gridded ionization chambers at oscillation frequencies of up to 50 Hz resulting in a time resolution of 10 ms, using both scan directions of each oscillation period. The carefully developed low-noise detector system yields high-quality absorption data. The unique setup allows both state-of-the-art QEXAFS and stable step-scan operation without the need to exchange whole monochromators. The long-term stability of the Bragg angle was investigated and absorption spectra of reference materials as well as of a fast chemical reaction demonstrate the overall capabilities of the new setup.

Investigation of the influence of the chemical composition of HSLA steel grades on the microstructure homogeneity during hot rolling in continuous rolling mills using a fast layer model

NASA Astrophysics Data System (ADS)

Schmidtchen, M.; Rimnac, A.; Warczok, P.; Kozeschnik, E.; Bernhard, C.; Bragin, S.; Kawalla, R.; Linzer, B.

2016-03-01

The newly developed LaySiMS simulation tool provides new insight for inhomogeneous material flow and microstructure evolution in an endless strip production (ESP) plant. A deepened understanding of the influence of inhomogeneities in initial material state, temperature profile and material flow and their impact on the finished product can be reached e.g. by allowing for variable layer thickness distributions in the roll gap. Coupling temperature, deformation work and work hardening/recrystallization phenomena accounts for covering important effects in the roll gap. The underlying concept of the LaySiMS approach will be outlined and new insight gained regarding microstructural evolution, shear and inhomogeneous stress and strain states in the roll gap as well as local residual stresses will be presented. For the case of thin slab casting and direct rolling (TSDR) the interrelation of inhomogeneous initial state, micro structure evolution and dissolution state of micro alloying elements within the roughing section of an ESP line will be discussed. Special emphasis is put on the influence of the local chemical composition arising from direct charging on throughthickness homogeneity of the final product. It is concluded that, due to the specific combination of large reductions in the high reduction mills (HRM) and the highly inhomogeneous inverse temperature profile, the ESP-concept provides great opportunities for homogenizing the microstructure across the strip thickness.

Solar-Blind Photodetectors for Harsh Electronics

PubMed Central

Tsai, Dung-Sheng; Lien, Wei-Cheng; Lien, Der-Hsien; Chen, Kuan-Ming; Tsai, Meng-Lin; Senesky, Debbie G.; Yu, Yueh-Chung; Pisano, Albert P.; He, Jr-Hau

2013-01-01

We demonstrate solar-blind photodetectors (PDs) by employing AlN thin films on Si(100) substrates with excellent temperature tolerance and radiation hardness. Even at a bias higher than 200 V the AlN PDs on Si show a dark current as low as ~ 1 nA. The working temperature is up to 300°C and the radiation tolerance is up to 1013 cm−2 of 2-MeV proton fluences for AlN metal-semiconductor-metal (MSM) PDs. Moreover, the AlN PDs show a photoresponse time as fast as ~ 110 ms (the rise time) and ~ 80 ms (the fall time) at 5 V bias. The results demonstrate that AlN MSM PDs hold high potential in next-generation deep ultraviolet PDs for use in harsh environments. PMID:24022208

Polarized luminescence of nc-Si-SiO x nanostructures on silicon substrates with patterned surface

NASA Astrophysics Data System (ADS)

Michailovska, Katerina; Mynko, Viktor; Indutnyi, Ivan; Shepeliavyi, Petro

2018-05-01

Polarization characteristics and spectra of photoluminescence (PL) of nc-Si-SiO x structures formed on the patterned and plane c-Si substrates are studied. The interference lithography with vacuum chalcogenide photoresist and anisotropic wet etching are used to form a periodic relief (diffraction grating) on the surface of the substrates. The studied nc-Si-SiO x structures were produced by oblique-angle deposition of Si monoxide in vacuum and the subsequent high-temperature annealing. The linear polarization memory (PM) effect in PL of studied structure on plane substrate is manifested only after the treatment of the structures in HF and is explained by the presence of elongated Si nanoparticles in the SiO x nanocolumns. But the PL output from the nc-Si-SiO x structure on the patterned substrate depends on how this radiation is polarized with respect to the grating grooves and is much less dependent on the polarization of the exciting light. The measured reflection spectra of nc-Si-SiO x structure on the patterned c-Si substrate confirmed the influence of pattern on the extraction of polarized PL.

The Li–Si–(O)–N system revisited: Structural characterization of Li{sub 21}Si{sub 3}N{sub 11} and Li{sub 7}SiN{sub 3}O

DOE Office of Scientific and Technical Information (OSTI.GOV)

Casas-Cabanas, M.; Santner, H.; Palacín, M.R., E-mail: rosa.palacin@icmab.es

2014-05-01

A systematic study of the Li–Si–(O)–N system is presented. The synthetic conditions to prepare Li{sub 2}SiN{sub 2}, Li{sub 5}SiN{sub 3}, Li{sub 18}Si{sub 3}N{sub 10}, Li{sub 21}Si{sub 3}N{sub 11} and Li{sub 7}SiN{sub 3}O are described and the structure of the last two compounds has been solved for the first time. While Li{sub 21}Si{sub 3}N{sub 11} crystallizes as a superstructure of the anti-fluorite structure with Li and Si ordering, Li{sub 7}SiN{sub 3}O exhibits the anti-fluorite structure with both anion and cation disorder. - Graphical abstract: A systematic study of the Li–Si–(O)–N system is presented. Li{sub 21}Si{sub 3}N{sub 11} crystallizes as a superstructuremore » of the anti-fluorite structure with Li and Si ordering, Li{sub 7}SiN{sub 3}O exhibits the anti-fluorite structure with both anion and cation disorder. - Highlights: • Li{sub 2}SiN{sub 2}, Li{sub 5}SiN{sub 3}, Li{sub 18}Si{sub 3}N{sub 10}, Li{sub 21}Si{sub 3}N{sub 11} and Li{sub 7}SiN{sub 3}O are prepared. • The structures of Li{sub 21}Si{sub 3}N{sub 11} and Li{sub 7}SiN{sub 3}O are presented. • Li{sub 21}Si{sub 3}N{sub 11} exhibits an anti-fluorite superstructure with Li and Si ordering.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sohn, H.; Camacho-Bunquin, J.; Langeslay, R. R.

Well-defined, isolated, single-site organovanadium(III) catalyst on SiO 2 [(SiO 2)V(Mes)(THF)] were synthesized via surface organometallic chemistry, and fully characterized using a combination of analytical and spectroscopic techniques (EA, ICP, 1H NMR, TGA-MS, EPR, XPS, DR-UV/Vis, UV-Raman, DRIFTS, XAS). The catalysts exhibit unprecedented reactivity in liquid- and gas-phase alkene/alkyne hydrogenation. Catalyst poisoning experiments revealed that 100% of the V sites are active for hydrogenation.

Selective fishing and analysis of xanthine oxidase binders from two Fabaceae species by coupling enzyme functionalized core-shell magnetic nanoparticles with HPLC-MS.

PubMed

Liu, Liangliang; Shi, Shuyun; Zhao, Huading; Yu, Jingang; Jiang, Xinyu; Chen, Xiaoqing

2014-01-15

Xanthine oxidase (XOD) immobilized core-shell magnetic silica (Fe3O4@SiO2-XOD) nanoparticles coupled with high performance liquid chromatography-mass spectrometry (HPLC-MS) was developed to fish out and analyze XOD binders from two Fabaceae species, Puerariae lobata flower and Glycyrrhiza uralensis root. The prepared Fe3O4@SiO2-XOD nanoparticles exhibited good specificity for XOD binders, better dispersion in aqueous solution and reusability than those of Fe3O4-XOD nanoparticles. The amount of XOD immobilized onto Fe3O4@SiO2 nanoparticles was 339.9μg/mg and the activity of Fe3O4@SiO2-XOD nanoparticles remained 95% after ten times usage. The optimum conditions of selective fishing were optimized, and finally incubating pH was set at 7, incubating temperature at 25°C and adsorption time at 30min. Twelve XOD binders were successfully identified from ethyl acetate extract of P. lobata flower and G. uralensis root. The developed method provides a rapid, purposeful and effective way to identify active compounds from natural complex mixtures. Copyright © 2013 Elsevier B.V. All rights reserved.

Semiconducting boron carbide thin films: Structure, processing, and diode applications

NASA Astrophysics Data System (ADS)

Bao, Ruqiang

The high energy density and long lifetime of betavoltaic devices make them very useful to provide the power for applications ranging from implantable cardiac pacemakers to deep space satellites and remote sensors. However, when made with conventional semiconductors, betavoltaic devices tend to suffer rapid degradation as a result of radiation damage. It has been suggested that the degradation problem could potentially be alleviated by replacing conventional semiconductors with a radiation hard semiconducting material like icosahedral boron carbide. The goal of my dissertation was to better understand the fundamental properties and structure of boron carbide thin films and to explore the processes to fabricate boron carbide based devices for voltaic applications. A pulsed laser deposition system and a radio frequency (RF) magnetron sputtering deposition system were designed and built to achieve the goals. After comparing the experimental results obtained using these two techniques, it was concluded that RF magnetron sputtering deposition technique is a good method to make B4C boron carbide thin films to fabricate repeatable and reproducible voltaic devices. The B4C thin films deposited by RF magnetron sputtering require in situ dry pre-cleaning to make ohmic contacts for B4C thin films to fabricate the devices. By adding another RF sputtering to pre-clean the substrate and thin films, a process to fabricate B4C / n-Si heterojunctions has been established. In addition, a low energy electron accelerator (LEEA) was built to mimic beta particles emitted from Pm147 and used to characterize the betavoltaic performance of betavoltaic devices as a function of beta energy and beta flux as well as do accelerated lifetime testing for betavoltaic devices. The energy range of LEEA is 20 - 250 keV with the current from several nA to 50 muA. High efficiency Si solar cells were used to demonstrate the powerful capabilities of LEEA, i.e., the characterization of betavoltaic performance and the accelerated lifetime test of betavoltaic devices. Structural analysis by X-ray diffraction and high resolution transmission electron microscopy showed that the prepared B4C thin films are amorphous. The presence of icosahedrons, which account for the radiation hardness of icosahedral boron rich solids, in the amorphous B4C thin films was supported by Fourier transform infrared spectroscopy. The pair distribution functions derived from selected area diffraction pattern of amorphous B 4C thin films showed that the short range order structure of amorphous B4C thin films is similar to beta-rhombohedral boron but with a shorter distance. The investigation of electrical properties of B4 C thin films showed that the resistivity of B4C thin films ranges from 695 O-cm to 9650 O-cm depending on the deposition temperature; the direct and indirect bandgaps for B4C thin films are 2.776 - 2.898 eV and 1.148 - 1.327 eV, respectively; the effective lifetime of excess charge carrier is close to 0.1 ms for B4C thin film deposited at room temperature and approximates to 1 ms for those deposited at 175 °C to 500 °C. Based on structural characterization and electrical properties of B4C thin films, a structural model of B4C thin films was proposed and supported by nanoindenter experiments, i.e., the hardness of thin films deposited at temperature in the range of 275 °C to 350 °C is lower than that of the films deposited at RT and 650 °C. Heterojunctions of B4C / n-Si (100) possessing photovoltaic response have been fabricated. The suitable deposition temperature for B 4C thin film to fabricate photovoltaic device is from 175 °C to 350 °C. When the Si substrate surface was not pre-cleaned before depositing B4C thin film, the B4C / n-Si (100) heterojunction has better photovoltaic responses, presumably because there were no sputter-produced defects on the surface of Si (100) substrate. Until now, the best achievable photovoltaic performance is B4C / n-Si (100) heterojunction with 200 nm thick B4C thin film when the Si (100) substrate surface was not pre-cleaned by RF sputtering. When this heterojunction was characterized using solar simulator with air mass 1.5 spectra, the short circuit current density is 1.484 mA/cm2, the open circuit voltage is about 0.389 V, and the power conversion efficiency is about 0.214 %. In addition, B5C thin films deposited by plasma enhanced chemical vapor deposition were used to make some of the devices studied in this dissertation. It was found that the Si-doped BC / n-Si (111) heterojunctions also demonstrates their photovoltaic and betavoltaic responses. Even after irradiated by a 120 keV electron beam to a fluence of 4.38x1017 electrons/cm 2, the heterojunctions still posses betavoltaic behavior and their responses to the incident irradiance density are similar to that before irradiation.

Network structure of SiO2 and MgSiO3 in amorphous and liquid States

NASA Astrophysics Data System (ADS)

Lan, Mai Thi; Thuy Duong, Tran; Viet Huy, Nguyen; Van Hong, Nguyen

2017-03-01

Network structure of SiO2 and MgSiO3 at 300 K and 3200 K is investigated by molecular dynamics simulation and visualization of simulation data. Structural organization of SiO2 and MgSiO3 is clarified via analysis the short range order (SRO) and intermediate range order (IRO). Network topology is determined via analyzing the bond between structural units, the cluster of structural units as well as spatial distribution of structural units. The polyamorphism as well as structural and dynamic heterogeneities are also discussed in this work.

Assessing Photocatalytic Oxidation Using Modified TiO 2 Nanomaterials for Virus Inactivation in Drinking Water: Mechanisms and Application

NASA Astrophysics Data System (ADS)

Liga, Michael Vincent

Photocatalytic oxidation is an alternative water treatment method under consideration for disinfecting water. Chlorine disinfection can form harmful byproducts, and some viruses (e.g. adenoviruses) are resistant to other alternative disinfection methods. Photocatalytic oxidation using nano-sized photocatalytic particles (e.g. TiO2, fullerene) holds promise; however, it is limited by its low efficiency and long required treatment times. This research focuses on improving virus inactivation by photocatalytic oxidation by modifying catalysts for improved activity, by analyzing virus inactivation kinetics, and by elucidating the inactivation mechanisms of adenovirus serotype 2 (AdV2) and bacteriophage MS2. Modifying TiO2 with silver (nAg/TiO2) or silica (SiO2-TiO2) improves the inactivation kinetics of bacteriophage MS2 by a factor of 3-10. nAg/ TiO2 increases hydroxyl radical (HO·) production while SiO2 increases the adsorption of MS2 to TiO 2. These results suggest that modifying the photocatalyst surface to increase contaminant adsorption is an important improvement strategy along with increasing HO· production. The inactivation kinetics of AdV2 by P25 TiO2 is much slower than the MS2 inactivation kinetics and displays a strong shoulder, which is not present in the MS2 kinetics. nAg/TiO2 initially improves the inactivation rate of AdV2. SiO2-TiO2 reduces the AdV2 inactivation kinetics since adsorption is not significantly enhanced, as it is with MS2. Amino-C60 is highly effective for AdV2 inactivation under visible light irradiation, making it a good material for use in solar disinfection systems. The efficacy of amino-fullerene also demonstrates that singlet oxygen is effective for AdV2 inactivation. When exposed to irradiated TiO2, AdV2 hexon proteins are heavily damaged resulting in the release of DNA. DNA damage is also present but may occur after capsids break. With MS2, the host interaction protein is rapidly damaged, but not the coat protein. The kinetics of MS2 inactivation are rapid since it may quickly lose its ability to attach to host cells, while AdV2 kinetics are slower since the entire capsid must undergo heavy oxidation before inactivation occurs. Adenovirus inactivation likely occurs through breaching the capsid followed by radical attack of DNA and core proteins.

A Laboratory Railgun for Terminal Ballistics and Arc Armature Research Studies

DTIC Science & Technology

1987-06-01

Projectile Velocity Profile 3000 2500 - 2000 U.4J 500 0 1000 -Bank Energy - 4.5 MJ Rail Height - 3 cm Rail Thickness - I cm Injection Vel . - 300 rn/s...1250 Rail Height - 3 cm Rail Thickness - i cm Injection Vel . - 300 m/s 1000 c 750 L U 500 250 0 I I 0.0 0.5 1.0 1.5 2.0 2.5 3.0 Time. ms Figure 2.10... Vel . - 300 m/s L/R - 5 ms U S200 L ISO C- Si i5 to-000 50 0 0 2 3 Position Wm) Figure 2.11. Baseline Design Pressure Profile barrel length to

Chemical structure of interfaces

NASA Technical Reports Server (NTRS)

Grunthaner, F. J.

1985-01-01

The interfacial structure of silicon/dielectric and silicon/metal systems is particularly amenable to analysis using a combination of surface spectroscopies together with a variety of chemical structures of Si/SiO2, Si/SiO2Si3N4, Si/Si2N2O, Si/SiO2/Al, and Si/Native Oxide interfaces using high resolution (0.350 eV FWHM) X ray photoelectron spectroscopy. The general structure of these dielectric interfaces entails a monolayer chemical transition layer at the Si/dielectric boundary. Amorphous Si substrates show a wide variety of hydrogenated Si and Si(OH) sub x states that are not observed in thermal oxidation of single crystal material. Extended SiO2 layers greater than 8 A in thickness are shown to be stoichiometric SiO2, but to exhibit a wide variety of local network structures. In the nitrogen containing systems, an approach to stoichiometric oxynitride compounds with interesting impurity and electron trapping properties are seen. In native oxides, substantial topographical nonuniformity in oxide thickness and composition are found. Analysis of metal/oxide interfacial layers is accomplished by analytical removal of the Si substrate by UHV XeF2 dry etching methods.

Silicon surface passivation by polystyrenesulfonate thin films

NASA Astrophysics Data System (ADS)

Chen, Jianhui; Shen, Yanjiao; Guo, Jianxin; Chen, Bingbing; Fan, Jiandong; Li, Feng; Liu, Haixu; Xu, Ying; Mai, Yaohua

2017-02-01

The use of polystyrenesulfonate (PSS) thin films in a high-quality passivation scheme involving the suppression of minority carrier recombination at the silicon surface is presented. PSS has been used as a dispersant for aqueous poly-3,4-ethylenedioxythiophene. In this work, PSS is coated as a form of thin film on a Si surface. A millisecond level minority carrier lifetime on a high resistivity Si wafer is obtained. The film thickness, oxygen content, and relative humidity are found to be important factors affecting the passivation quality. While applied to low resistivity silicon wafers, which are widely used for photovoltaic cell fabrication, this scheme yields relatively shorter lifetime, for example, 2.40 ms on n-type and 2.05 ms on p-type wafers with a resistivity of 1-5 Ω.cm. However, these lifetimes are still high enough to obtain high implied open circuit voltages (Voc) of 708 mV and 697 mV for n-type and p-type wafers, respectively. The formation of oxides at the PSS/Si interface is suggested to be responsible for the passivation mechanism.

Identification and comparative quantification of bio-active phthalides in essential oils from si-wu-tang, fo-shou-san, radix angelica and rhizoma chuanxiong.

PubMed

Tang, Yuping; Zhu, Min; Yu, Sheng; Hua, Yongqing; Duan, Jin-Ao; Su, Shulan; Zhang, Xu; Lu, Yin; Ding, Anwei

2010-01-15

Phthalides are important bio-active constituents in Si-Wu-Tang and Fo-Shou-San, two commonly used Traditional Chinese Medicine (TCM) combined prescriptions mainly derived from Radix Angelica and Rhizoma Chuanxiong. In this paper, the contents of eight phthalides, including Z-ligustilide, E-ligustilide, Z-butylenephthalide, E-butylene-phthalide, 3-butylphthalide, neocnidilide and senkyunolide A were determined or estimated by gas chromatography-mass spectrometry (GC-MS). The results showed GC-MS was a simple, rapid, and high sensitive method for analyzing phthalides in Si-Wu-Tang, Fo-Shou-San, Radix Angelica and Rhizoma Chuanxiong, and the extractable contents of each phthalides including Z-ligustilide, E-ligustilide, Z-butylenephthalide, etc. varied after Radix Angelica, Rhizoma Chuanxiong were combined into a formulation, such as Si-Wu-Tang and Fo-Shou-San. Furthermore, inhibition activity of essential oils from Si-Wu-Tang, Fo-Shou-San, Radix Angelica and Rhizoma Chuanxiong on uterine contraction was tested in an in vitro assay, and the results showed that the activity of the essential oil is higher as the content of the phthalides increase, which demonstrated that phthalides are possibly main active components inhibiting mice uterine contraction in vitro. All of the results suggested that comparative analysis of chemical components and pharmacological activities of each herb and formula is possibly helpful to elucidate the active components in traditional Chinese medicine, and to reveal the compatibility mechanism of TCM formulae.

Interaction between bacteriophage and pyrophyllite clay in aqueous solution

NASA Astrophysics Data System (ADS)

Park, Jeong-Ann; Kim, Jae-Hyun; Kang, Jin-Kyu; Son, Jeong-Woo; Yi, In-Geol; Kim, Song-Bae

2014-05-01

Viral contamination results in a degradation in drinking water quality and a threat to public health. Toprovide safe drinking water, water treatment alternatives using various adsorbents and filter media such as activated carbon, bituminous coal, quartz sand and clay have been considered. Pyrophyllite is a 2:1 clay mineral having dioctahedral layer structure with octahedrally coordinated Al ion sheets between two sheets of SiO4 tetrahedra. It is a hydrous aluminosilicate clay with the chemical composition AlSi2O5(OH). Pyrophyllite has recently been investigated as a potential low-cost and environmental friendly adsorbent for removing various contaminants. The aim of this study was to investigate the removal of the bacteriophage MS2 from aqueous solution using pyrophyllite. Batch experiments were conducted to examine the MS2 sorption to pyrophyllite. The influence of fluoride, a groundwater contaminant, on the removal of MS2 was also observed. Batch results demonstrated that pyrophyllite was effective in MS2 removal. The percent removal increased from 5.26% to 99.99% (= 4.0 log removal) as the pyrophyllite concentrations increased from 0.2 to 20 g/L. More than 99% of MS2 could be removed with a pyrophyllite concentration of ≥ 4 g/L. The sorption of MS2 to pyrophyllite was rapid. Within 15 min, approximately 99.98% (= 3.7 log removal) of MS2 was attained. More than 4.0 log removal was achieved after 180 min. The experimental data were analyzed with the pseudo first-order and pseudo second-order kinetic models. The correlation coefficient showed that pseudo second-order model was better than pseudo first-order model at describing the kinetic data. The amount of MS2 removed at equilibrium was determined to be 1.43 × 108 pfu/g from the pseudo second-order model. The experimental data were also analyzed with the Freundlich and Langmuir isotherm models. The correlation coefficients showed that the Langmuir model was more suitable than the Freundlich model for MS2 sorption data. The maximum amount of MS2 removed per unit mass of pyrophyllite was determined to be 5.01 × 108 pfu/g. Results also showed that at a pyrophyllite concentration of 20 g/L, the log removal in the presence of 5 mg/L fluoride was 3.05, which was lower than that for 0 mg/L fluoride. At the same concentration of pyrophyllite, the log removal in the presence of 10 mg/L fluoride was 2.54, which was lower than those for 0 and 5 mg/L fluoride. The removal of MS2 by pyrophyllite was thus shown to be influenced by fluoride ions. The results could be attributed to fluoride ions competing with MS2 for sorption sites on the pyrophyllite surfaces. Separate batch experiments indicated that the fluoride adsorption capacity of pyrophyllite was 0.124 mg/g at the given conditions (pyrophyllite concentration = 20 g/L; initial fluoride concentration = 5 mg/L; reaction time = 5 h), which indicated that fluoride could adsorb to pyrophyllite. This study can improve our knowledge on the application of pyrophyllite as adsorbents for virus removal in water treatment. Acknowledgement This research was supported by the Korea Ministry of Environment as GAIA project.

Molecular Structures of Al/Si and Fe/Si Coprecipitates and the Implication for Selenite Removal

PubMed Central

Chan, Ya-Ting; Kuan, Wen-Hui; Tzou, Yu-Min; Chen, Tsan-Yao; Liu, Yu-Ting; Wang, Ming-Kuang; Teah, Heng-Yi

2016-01-01

Aluminum and iron oxides have been often used in the coagulation processes during water purification due to their unique surface properties toward anions. In the presence of silica, the coprecipitation of Al/Si or Fe/Si might decrease the efficiency of wastewater purification and reuse. In this study, surface properties and molecular structures of Al/Si and Fe/Si coprecipitates were characterized using spectroscopic techniques. Also, the selenite removal efficiency of Al/Si and Fe/Si coprecipitates in relation to their surface and structural properties was investigated. While dissolved silicate increased with increasing pH from Fe/Si coprecipitates, less than 7% of silicate was discernible from Al/Si samples over the range from acidic to alkaline conditions. Our spectroscopic results showed that the associations between Al and Si were relatively stronger than that between Fe and Si in coprecipitates. In Al/Si coprecipitates, core-shell structures were developed with AlO6/AlO4 domains as the shells and Si frameworks polymerized from the SiO2 as the cores. However, Si framework remained relatively unchanged upon coprecipitation with Fe hydroxides in Fe/Si samples. The Si core with Al shell structure of Al/Si coprecipitates shielded the negative charges from SiO2 and thereby resulted in a higher adsorption capacity of selenite than Fe/Si coprecipitates. PMID:27095071

High Packing Density Unidirectional Arrays of Vertically Aligned Graphene with Enhanced Areal Capacitance for High-Power Micro-Supercapacitors.

PubMed

Zheng, Shuanghao; Li, Zhilin; Wu, Zhong-Shuai; Dong, Yanfeng; Zhou, Feng; Wang, Sen; Fu, Qiang; Sun, Chenglin; Guo, Liwei; Bao, Xinhe

2017-04-25

Interfacial integration of a shape-engineered electrode with a strongly bonded current collector is the key for minimizing both ionic and electronic resistance and then developing high-power supercapacitors. Herein, we demonstrated the construction of high-power micro-supercapacitors (VG-MSCs) based on high-density unidirectional arrays of vertically aligned graphene (VG) nanosheets, derived from a thermally decomposed SiC substrate. The as-grown VG arrays showed a standing basal plane orientation grown on a (0001̅) SiC substrate, tailored thickness (3.5-28 μm), high-density structurally ordering alignment of graphene consisting of 1-5 layers, vertically oriented edges, open intersheet channels, high electrical conductivity (192 S cm -1 ), and strong bonding of the VG edges to the SiC substrate. As a result, the demonstrated VG-MSCs displayed a high areal capacitance of ∼7.3 mF cm -2 and a fast frequency response with a short time constant of 9 ms. Furthermore, VG-MSCs in both an aqueous polymer gel electrolyte and nonaqueous ionic liquid of 1-ethyl-3-methylimidazolium tetrafluoroborate operated well at high scan rates of up to 200 V s -1 . More importantly, VG-MSCs offered a high power density of ∼15 W cm -3 in gel electrolyte and ∼61 W cm -3 in ionic liquid. Therefore, this strategy of producing high-density unidirectional VG nanosheets directly bonded on a SiC current collector demonstrated the feasibility of manufacturing high-power compact supercapacitors.

Formation of single-walled aluminosilicate nanotubes from molecular precursors and curved nanoscale intermediates.

PubMed

Yucelen, G Ipek; Choudhury, Rudra Prosad; Vyalikh, Anastasia; Scheler, Ulrich; Beckham, Haskell W; Nair, Sankar

2011-04-13

We report the identification and elucidation of the mechanistic role of molecular precursors and nanoscale (1-3 nm) intermediates with intrinsic curvature in the formation of single-walled aluminosilicate nanotubes. We characterize the structural and compositional evolution of molecular and nanoscale species over a length scale of 0.1-100 nm by electrospray ionization mass spectrometry, nuclear magnetic resonance spectroscopy ((27)Al liquid-state, (27)Al and (29)Si solid-state MAS), and dynamic light scattering. Together with structural optimization of key experimentally identified species by solvated density functional theory calculations, this study reveals the existence of intermediates with bonding environments, as well as intrinsic curvature, similar to the structure of the final nanotube product. We show that "proto-nanotube-like" intermediates with inherent curvature form in aqueous synthesis solutions immediately after initial hydrolysis of reactants, disappear from the solution upon heating to 95 °C due to condensation accompanied by an abrupt pH decrease, and finally form ordered single-walled aluminosilicate nanotubes. Detailed quantitative analysis of NMR and ESI-MS spectra from the relevant aluminosilicate, aluminate, and silicate solutions reveals the presence of a variety of monomeric and polymeric aluminate and aluminosilicate species (Al(1)Si(x)-Al(13)Si(x)), such as Keggin ions [AlO(4)Al(12)(OH)(24)(H(2)O)(12)](7+) and polynuclear species with a six-membered Al oxide ring unit. Our study also directly reveals the complexation of aluminate and aluminosilicate species with perchlorate species that most likely inhibit the formation of larger condensates or nontubular structures. Integration of all of our results leads to the construction of the first molecular-level mechanism of single-walled metal oxide nanotube formation, incorporating the role of monomeric and polymeric aluminosilicate species as well as larger nanoparticles. © 2011 American Chemical Society

Gold as hydrogen: Structural and electronic properties and chemical bonding in Si3Au3+/0/- and comparisons to Si3H3+/0/-

NASA Astrophysics Data System (ADS)

Kiran, Boggavarapu; Li, Xi; Zhai, Hua-Jin; Wang, Lai-Sheng

2006-10-01

A single Au atom has been shown to behave like H in its bonding to Si in several mono- and disilicon gold clusters. In the current work, we investigate the Au /H analogy in trisilicon gold clusters, Si3Au3+/0/-. Photoelectron spectroscopy and density functional calculations are combined to examine the geometric and electronic structure of Si3Au3-. We find that there are three isomers competing for the ground state of Si3Au3- as is the case for Si3H3-. Extensive structural searches show that the potential energy surfaces of the trisilicon gold clusters (Si3Au3-, Si3Au3, and Si3Au3+) are similar to those of the corresponding silicon hydrides. The lowest energy isomers for Si3Au3- and Si3Au3 are structurally similar to a Si3Au four-membered ring serving as a common structural motif. For Si3Au3+, the 2π aromatic cyclotrisilenylium auride ion, analogous to the aromatic cyclotrisilenylium ion (Si3H3+), is the most stable species. Comparison of the structures and chemical bonding between Si3Au3+/0/- and the corresponding silicon hydrides further extends the isolobal analogy between Au and H.

Li diffusion and the effect of local structure on Li mobility in Li2O-SiO2 glasses.

PubMed

Bauer, Ute; Welsch, Anna-Maria; Behrens, Harald; Rahn, Johanna; Schmidt, Harald; Horn, Ingo

2013-12-05

Aimed to improve the understanding of lithium migration mechanisms in ion conductors, this study focuses on Li dynamics in binary Li silicate glasses. Isotope exchange experiments and conductivity measurements were carried out to determine self-diffusion coefficients and activation energies for Li migration in Li2Si3O7 and Li2Si6O13 glasses. Samples of identical composition but different isotope content were combined for diffusion experiments in couples or triples. Diffusion profiles developed between 511 and 664 K were analyzed by femtosecond laser ablation combined with multiple collector inductively coupled plasma mass spectrometry (fs LA-MC-ICP-MS) and secondary ion mass spectrometry (SIMS). Analyses of diffusion profiles and comparison of diffusion data reveal that the isotope effect of lithium diffusion in silicate glasses is rather small, consistent with classical diffusion behavior. Ionic conductivity of glasses was measured between 312 and 675 K. The experimentally obtained self-diffusion coefficient, D(IE), and ionic diffusion coefficient, D(σ), derived from specific DC conductivity provided information about correlation effects during Li diffusion. The D(IE)/D(σ) is higher for the trisilicate (0.27 ± 0.05) than that for the hexasilicate (0.17 ± 0.02), implying that increasing silica content reduces the efficiency of Li jumps in terms of long-range movement. This trend can be rationalized by structural concepts based on nuclear magnetic resonance (NMR) and Raman spectroscopy as well as molecular dynamic simulations, that is, lithium is percolating in low-dimensional, alkali-rich regions separated by a silica-rich matrix.

SiO2-Ag-SiO2 core/shell structure with a high density of Ag nanoparticles for CO oxidation catalysis.

PubMed

Feng, Xiaoqian; Li, Hongmo; Zhang, Qing; Zhang, Peng; Song, Xuefeng; Liu, Jing; Zhao, Liping; Gao, Lian

2016-11-11

SiO 2 -Ag-SiO 2 , a sandwiched core/shell structure with a layer of Ag nanoparticles (∼4 nm) encapsulated between a shallow SiO 2 surface layer and a SiO 2 submicrosphere substrate (∼200 nm), has been synthesized from [Formula: see text] and SiO 2 spheres by a facile one-pot hydrothermal method. The composite is proposed to result from the dynamic balance between the [Formula: see text] reduction and the dissolution-redeposition of SiO 2 in mild basic media. The synthetic mechanism and the roles of the reaction time, temperature, and the amount of ammonia in the formation of this unique structure are investigated and discussed. The composite structure shows superior catalytic performance in CO oxidation to the control Ag/SiO 2 structure prepared by impregnation. Pre-treatment by O 2 at 600 °C significantly improves the catalytic performance of the composite structure and preserves the nanocomposite structure well.

Electronic structures of Al-Si clusters and the magic number structure Al8Si4

NASA Astrophysics Data System (ADS)

Du, Ning; Su, Mingzhi; Chen, Hongshan

2018-02-01

The low-energy structures of Al8Sim (m = 1-6) have been determined by using the genetic algorithm combined with density functional theory and the Second-order Moller-Plesset perturbation theory (MP2) models. The results show that the close-packed structures are preferable in energy for Al-Si clusters and in most cases there exist a few isomers with close energies. The valence molecular orbitals, the orbital level structures and the electron localisation function (ELF) consistently demonstrate that the electronic structures of Al-Si clusters can be described by the jellium model. Al8Si4 corresponds to a magic number structure with pronounced stability and large energy gap; the 40 valence electrons form closed 1S21P61D102S21F142P6 shells. The ELF attractors also suggest weak covalent Si-Si, Si-Al and Al-Al bonding, and doping Si in aluminium clusters promotes the covalent interaction between Al atoms.

Atomic and electronic structure of the silicon and silicon-metal Si{sub 20}, Si{sub 20}{sup -}, NaSi{sub 20}, KSi{sub 20} nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Borshch, N. A., E-mail: ssd18@phys.vsu.ru; Pereslavtseva, N. S.; Kurganskii, S. I.

The results of atomic-structure optimization and calculation of the electronic structure of the Si{sub 20}, Si{sub 20}{sup -}, NaSi{sub 20}, and KSi{sub 20} clusters are reported. The PM3 and AM1 semiempirical methods were used in the calculations. It is shown that the Na and K atoms stabilize the fullerene-like silicon structure. The effect of configuration of the clusters on their electronic structure is analyzed.

Chemistry of MOS-LSI radiation hardening

NASA Technical Reports Server (NTRS)

Grunthaner, P.

1985-01-01

The objective of this task was to obtain chemical information on MOS test samples. Toward this end, high resolution X-ray photoemission spectroscopy (XPS) has been the primary techniques used to characterize the chemistry and structure of the SiO2/Si interface for a variety of MOS structures with differing degrees of susceptibility to damage by ionizing radiation. The major accomplishments of this program are: (1) the identification of a structurally distinct region of SiO2 in the near-interfacial region of thermal SiO2 on Si; (2) the identification in the near-interfacial region of SiO2 structural differences between radiation hard and soft gate oxides; (3) the direct observation of radiation-induced damage sites in thermal SiO2 with XPS using in situ electron stress; (4) the correlation of suboxide state distributions at the SiO2/Si interface with processing parameters and radiation susceptibility; (5) the development of a chemical mechanism for radiation-induced interface state generation in SiO2/Si structures; and (6) the development benign chemical profiling techniques which permit the investigation of oxide/semiconductor structures using surface sensitive electron spectroscopic techniques.

Possibilities for LWIR detectors using MBE-grown Si(/Si(1-x)Ge(x) structures

NASA Technical Reports Server (NTRS)

Hauenstein, Robert J.; Miles, Richard H.; Young, Mary H.

1990-01-01

Traditionally, long wavelength infrared (LWIR) detection in Si-based structures has involved either extrinsic Si or Si/metal Schottky barrier devices. Molecular beam epitaxially (MBE) grown Si and Si/Si(1-x)Ge(x) heterostructures offer new possibilities for LWIR detection, including sensors based on intersubband transitions as well as improved conventional devices. The improvement in doping profile control of MBE in comparison with conventional chemical vapor deposited (CVD) Si films has resulted in the successful growth of extrinsic Si:Ga, blocked impurity-band conduction detectors. These structures exhibit a highly abrupt step change in dopant profile between detecting and blocking layers which is extremely difficult or impossible to achieve through conventional epitaxial growth techniques. Through alloying Si with Ge, Schottky barrier infrared detectors are possible, with barrier height values between those involving pure Si or Ge semiconducting materials alone. For both n-type and p-type structures, strain effects can split the band edges, thereby splitting the Schottky threshold and altering the spectral response. Measurements of photoresponse of n-type Au/Si(1-x)Ge(x) Schottky barriers demonstrate this effect. For intersubband multiquntum well (MQW) LWIR detection, Si(1-x)Ge(x)/Si detectors grown on Si substrates promise comparable absorption coefficients to that of the Ga(Al)As system while in addition offering the fundamental advantage of response to normally incident light as well as the practical advantage of Si-compatibility. Researchers grew Si(1-x)Ge(x)/Si MQW structures aimed at sensitivity to IR in the 8 to 12 micron region and longer, guided by recent theoretical work. Preliminary measurements of n- and p-type Si(1-x)Ge(x)/Si MQW structures are given.

Computer simulation of CaSiO3 glass under compression: correlation between Si-Si pair radial distribution function and intermediate range order structure

NASA Astrophysics Data System (ADS)

Lan, Mai Thi; Thuy Duong, Tran; Iitaka, Toshiaki; Van Hong, Nguyen

2017-06-01

The structural organization of CaSiO3 glass at 600 K and under pressure of 0-100 GPa is investigated by molecular dynamics simulation (MDS). Results show that the atomic structure of CaSiO3 comprises SiO n and CaO m units considered as basic structural polyhedra. At low pressure, most of the basic structural polyhedra are SiO4, CaO5, CaO6 and CaO7. At high pressure most of the basic structural polyhedra are SiO5, SiO6 and CaO9, CaO10 and CaO11. The distribution of basic structural polyhedra is not uniform resulting in formation of Ca-rich and Si-rich regions. The distribution of SiO4, SiO5 and SiO6 polyhedra is also not uniform, but it tends to form SiO4-, SiO5-, and SiO6-clusters. For the Si-O network, under compression there is a gradual transition from the tetrahedral network (SiO4) to the octahedral network (SiO6) via SiO5 polyhedra. The SiO5-clusters are the same as immediate-phase in the transformation process. The size and shape of SiO4 tetrahedra change strongly under compression. While the size of SiO5 and SiO6 has also changed significantly, but the shape is almost unchanged under compression. The SiO n polyhedra can connect to each other via one common oxygen ion (corner-sharing bond), two common oxygen ions (edge-sharing bond) or three common oxygen ions (face-sharing bond). The Si-Si bond length in corner-sharing bonds is much longer than the ones in edge-sharing and face-sharing bonds. The change of intermediate range order (IRO) structure under compression relating to edge- and face-sharing bonds amongst SiO n at high pressure is the origin of the first peak splitting of the radial distribution functions of Si-Si pair. Under compression, the number of non-bridging oxygen (NBO) decreases. This makes the Si-O network more polymerized. At low pressure, most of the Ca2+ ions incorporate into the Si-O network via NBOs. At high pressure, the amount of NBO decreases, Ca2+ ions mainly incorporate into the Si-O network via bridging oxygen (BO) that belongs to SiO5 and SiO6 with a negative charge. And this is the principle for immobilization of heavy metal as well as fissile materials in hazardous waste (nuclear waste).

Structural, electronic, elastic, and thermodynamic properties of CaSi, Ca2Si, and CaSi2 phases from first-principles calculations

NASA Astrophysics Data System (ADS)

Li, X. D.; Li, K.; Wei, C. H.; Han, W. D.; Zhou, N. G.

2018-06-01

The structural, electronic, elastic, and thermodynamic properties of CaSi, Ca2Si, and CaSi2 are systematically investigated by using first-principles calculations method based on density functional theory (DFT). The calculated formation enthalpies and cohesive energies show that CaSi2 possesses the greatest structural stability and CaSi has the strongest alloying ability. The structural stability of the three phases is compared according to electronic structures. Further analysis on electronic structures indicates that the bonding of these phases exhibits the combinations of metallic, covalent, and ionic bonds. The elastic constants are calculated, and the bulk modulus, shear modulus, Young's modulus, Poisson's ratio, and anisotropy factor of polycrystalline materials are deduced. Additionally, the thermodynamic properties were theoretically predicted and discussed.

Transformation of sludge Si to nano-Si/SiOx structure by oxygen inward diffusion as precursor for high performance anodes in lithium ion batteries

NASA Astrophysics Data System (ADS)

Hua, Qiqi; Dai, Dongyang; Zhang, Chengzhi; Han, Fei; Lv, Tiezheng; Li, Xiaoshan; Wang, Shijie; Zhu, Rui; Liao, Haojie; Zhang, Shiguo

2018-05-01

Although several Si/C composite structures have been proposed for high-performance lithium-ion batteries (LIBs), they have still suffered from expensive and complex processes of nano-Si production. Herein, a simple, controllable oxygen inward diffusion was utilized to transform Si sludge obtained from the photovoltaic (PV) industry into the nano-Si/SiOx structure as a result of the high diffusion efficiency of O inside Si and high surface area of the sludge. After further process, a yolk/shell Si/C structure was obtained as an anode material for LIBs. This composite demonstrated an excellent cycling stability, with a high reversible capacity (˜ 1250 mAh/g for 500 cycles), by void space originally left by the SiOx accommodate inner Si expansion. We believe this is a rather simple way to convert the waste Si into a valuable nano-Si for LIB applications.

Effects of the c-Si/a-SiO2 interfacial atomic structure on its band alignment: an ab initio study.

PubMed

Zheng, Fan; Pham, Hieu H; Wang, Lin-Wang

2017-12-13

The crystalline-Si/amorphous-SiO 2 (c-Si/a-SiO 2 ) interface is an important system used in many applications, ranging from transistors to solar cells. The transition region of the c-Si/a-SiO 2 interface plays a critical role in determining the band alignment between the two regions. However, the question of how this interface band offset is affected by the transition region thickness and its local atomic arrangement is yet to be fully investigated. Here, by controlling the parameters of the classical Monte Carlo bond switching algorithm, we have generated the atomic structures of the interfaces with various thicknesses, as well as containing Si at different oxidation states. A hybrid functional method, as shown by our calculations to reproduce the GW and experimental results for bulk Si and SiO 2 , was used to calculate the electronic structure of the heterojunction. This allowed us to study the correlation between the interface band characterization and its atomic structures. We found that although the systems with different thicknesses showed quite different atomic structures near the transition region, the calculated band offset tended to be the same, unaffected by the details of the interfacial structure. Our band offset calculation agrees well with the experimental measurements. This robustness of the interfacial electronic structure to its interfacial atomic details could be another reason for the success of the c-Si/a-SiO 2 interface in Si-based electronic applications. Nevertheless, when a reactive force field is used to generate the a-SiO 2 and c-Si/a-SiO 2 interfaces, the band offset significantly deviates from the experimental values by about 1 eV.

Effects of the c-Si/a-SiO 2 interfacial atomic structure on its band alignment: an ab initio study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zheng, Fan; Pham, Hieu H.; Wang, Lin-Wang

The crystalline-Si/amorphous-SiO 2 (c-Si/a-SiO 2) interface is an important system used in many applications, ranging from transistors to solar cells. The transition region of the c-Si/a-SiO 2 interface plays a critical role in determining the band alignment between the two regions. However, the question of how this interface band offset is affected by the transition region thickness and its local atomic arrangement is yet to be fully investigated. Here in this study, by controlling the parameters of the classical Monte Carlo bond switching algorithm, we have generated the atomic structures of the interfaces with various thicknesses, as well as containingmore » Si at different oxidation states. A hybrid functional method, as shown by our calculations to reproduce the GW and experimental results for bulk Si and SiO 2, was used to calculate the electronic structure of the heterojunction. This allowed us to study the correlation between the interface band characterization and its atomic structures. We found that although the systems with different thicknesses showed quite different atomic structures near the transition region, the calculated band offset tended to be the same, unaffected by the details of the interfacial structure. Our band offset calculation agrees well with the experimental measurements. This robustness of the interfacial electronic structure to its interfacial atomic details could be another reason for the success of the c-Si/a-SiO 2 interface in Si-based electronic applications. Nevertheless, when a reactive force field is used to generate the a-SiO 2 and c-Si/a-SiO 2 interfaces, the band offset significantly deviates from the experimental values by about 1 eV« less

Effects of the c-Si/a-SiO 2 interfacial atomic structure on its band alignment: an ab initio study

DOE PAGES

Zheng, Fan; Pham, Hieu H.; Wang, Lin-Wang

2017-11-13

The crystalline-Si/amorphous-SiO 2 (c-Si/a-SiO 2) interface is an important system used in many applications, ranging from transistors to solar cells. The transition region of the c-Si/a-SiO 2 interface plays a critical role in determining the band alignment between the two regions. However, the question of how this interface band offset is affected by the transition region thickness and its local atomic arrangement is yet to be fully investigated. Here in this study, by controlling the parameters of the classical Monte Carlo bond switching algorithm, we have generated the atomic structures of the interfaces with various thicknesses, as well as containingmore » Si at different oxidation states. A hybrid functional method, as shown by our calculations to reproduce the GW and experimental results for bulk Si and SiO 2, was used to calculate the electronic structure of the heterojunction. This allowed us to study the correlation between the interface band characterization and its atomic structures. We found that although the systems with different thicknesses showed quite different atomic structures near the transition region, the calculated band offset tended to be the same, unaffected by the details of the interfacial structure. Our band offset calculation agrees well with the experimental measurements. This robustness of the interfacial electronic structure to its interfacial atomic details could be another reason for the success of the c-Si/a-SiO 2 interface in Si-based electronic applications. Nevertheless, when a reactive force field is used to generate the a-SiO 2 and c-Si/a-SiO 2 interfaces, the band offset significantly deviates from the experimental values by about 1 eV« less

Using magnetic susceptibility to facilitate more rapid, reproducible and precise delineation of hydric soils in the midwestern USA

USGS Publications Warehouse

Grimley, D.A.; Arruda, N.K.; Bramstedt, M.W.

2004-01-01

Standard field indicators, currently used for hydric soil delineations [USDA-NRCS, 1998. Field indicators of hydric soils in the United States, Version 4.0. In: G.W. Hurt et al. (Ed.), United States Department of Agriculture-NRCS, Fort Worth, TX], are useful, but in some cases, they can be subjective, difficult to recognize, or time consuming to assess. Magnetic susceptibility (MS) measurements, acquired rapidly in the field with a portable meter, have great potential to help soil scientists delineate and map areas of hydric soils more precisely and objectively. At five sites in Illinois (from 5 to 15 ha in area) with contrasting soil types and glacial histories, the MS values of surface soils were measured along transects, and afterwards mapped and contoured. The MS values were found to be consistently higher in well-drained soils and lower in hydric soils, reflecting anaerobic deterioration of both detrital magnetite and soil-formed ferrimagnetics. At each site, volumetric MS values were statistically compared to field indicators to determine a critical MS value for hydric soil delineation. Such critical values range between 22??10-5 and 33??10-5 SI in silty loessal or alluvial soils in Illinois, but are as high as 61??10-5 SI at a site with fine sandy soil. A higher magnetite content and slower dissolution rate in sandy soils may explain the difference. Among sites with silty parent material, the lowest critical value (22??10-5 SI) occurs in soil with low pH (4.5-5.5) since acidic conditions are less favorable to ferrimagnetic mineral neoformation and enhance magnetite dissolution. Because of their sensitivity to parent material properties and soil pH, critical MS values must be determined on a site specific basis. The MS of studied soil samples (0-5 cm depth) is mainly controlled by neoformed ultrafine ferrimagnetics and detrital magnetite concentrations, with a minor contribution from anthropogenic fly ash. Neoformed ferrimagnetics are present in all samples but, based on high ??FD% (???5% to 10%), are most prevalent in high pH Mollisols of northeastern Illinois. Scanning electron microscope images display significantly more detrital magnetite alteration in hydric soils, substantiating that reductive dissolution of magnetite (aided by microorganisms) is a primary cause for lower MS. Fly ash comprises 8-50% of the >5 ??m strongly magnetic particles and typically accounts for 5-15% of the total MS signal. The proportion of fly ash in >5 ??m strongly magnetic fractions is greater in hydric soils because of lower natural magnetite contents, possibly combined with historical topsoil accumulation in lower landscapes. Magnetic fly ash particles are also more altered in low MS soils, implying that significant magnetite dissolution can occur in less than 150 years. ?? 2004 Elsevier B.V. All rights reserved.

Creating and Controlling Single Spins in Silicon Carbide

NASA Astrophysics Data System (ADS)

Christle, David

Silicon carbide (SiC) is a well-established commercial semiconductor used in high-power electronics, optoelectronics, and nanomechanical devices, and has recently shown promise for semiconductor-based implementations of quantum information technologies. In particular, a set of divacancy-related point defects have improved coherence properties relative to the prominent nitrogen-vacancy center in diamond, are addressable at near-telecom wavelengths, and reside in a material for which there already exist advanced growth, doping, and microfabrication capabilities. These properties suggest divacancies in SiC have compelling advantages for photonics and micromechanical applications, yet their relatively recent discovery means crucial aspects of their fundamental physics for these applications are not well understood. I will review our progress on manipulating spin defects in SiC, and discuss efforts towards isolating and controlling them at the single defect limit. In particular, our most recent experimental results demonstrate isolation and control of long-lived (T2 = 0 . 9 ms) divacancies in a form of SiC that can be grown epitaxially on silicon. By studying the time-resolved photoluminescence of a single divacancy, we reveal its fundamental orbital structure and characterize in detail the dynamics of its special optical cycle. Finally, we probe individual divacancies using resonant laser techniques and reveal an efficient spin-photon interface with figures of merit comparable to those reported for NV centers in diamond. These results suggest a pathway towards photon-mediated entanglement of SiC defect spins over long distances. This work was supported by NSF, AFOSR, the Argonne CNM, the Knut & Alice Wallenberg Foundation, the Linköping Linnaeus Initiative, the Swedish Government Strategic Research Area, and the Ministry of Education, Science, Sports and Culture of Japan.

Wound healing effect of bioactive ion released from Mg-smectite.

PubMed

Sasaki, Yu; Sathi, Gulsan Ara; Yamamoto, Osamu

2017-08-01

Bioactive ions like Mg 2+ and Si 4+ have been known as promotion factors of tissue regeneration. In the present work, Mg-smectite, consisting of Mg 2+ and Si 4+ ions, was synthesized by a solution process, and evaluated for the efficiency of the powder on wound healing in rats. White precipitates were obtained by mixing a magnesium chloride hexahydrate solution and a sodium silicate hexahydrate solution at room temperature. The precipitates mixed with a NaOH aqueous solution were subjected to hydrothermal reaction, and finally crystalline Mg-smectite powder was obtained. The crystal and molecular structure of Mg-smectite was identified by X-ray diffractometry (XRD) and Fourier-transform infrared spectroscopy (FT-IR). The synthesized material was determined to be crystalline Mg-smectite. The amount of Mg 2+ and Si 4+ ions released from Mg-smectite in physiological saline was analyzed by inductively coupled plasma mass spectroscopy (ICP-MS). The total amount of Si 4+ ion released from Mg-smectite was greater than that of Mg 2+ ion. To evaluate the wound healing effect of Mg-smectite, Mg-smectite powder was applied to a full-thickness surgical wound reaching the subcutaneous tissue in the rat's abdomen. At 1 and 2weeks, skin tissue was collected and subjected to histological analysis. The results for skin regeneration showed no significant difference in wound size between the control and Mg-smectite group. However, it was found that the neovascularization, collagen deposition, and maturation were notedly accelerated by applying Mg-smectite powder in comparison with the control. Mg-smectite can then be hypothesized to stimulate the regeneration of skin tissue by releasing Mg 2+ and Si 4+ ions. These results suggested that Mg-smectite could offer great potential as a wound dressing material. Copyright © 2017 Elsevier B.V. All rights reserved.

Strained multilayer structures with pseudomorphic GeSiSn layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Timofeev, V. A., E-mail: Vyacheslav.t@isp.nsc.ru; Nikiforov, A. I.; Tuktamyshev, A. R.

2016-12-15

The temperature and composition dependences of the critical thickness of the 2D–3D transition for a GeSiSn film on Si(100) have been studied. The regularities of the formation of multilayer structures with pseudomorphic GeSiSn layers directly on a Si substrate, without relaxed buffer layers, were investigated for the first time. The possibility of forming multilayer structures based on pseudomorphic GeSiSn layers has been shown and the lattice parameters have been determined using transmission electron microscopy. The grown structures demonstrate photoluminescence for Sn contents from 3.5 to 5% in GeSiSn layers.

Uniform Si nano-dot fabrication using reconstructed structure of Si(110)

NASA Astrophysics Data System (ADS)

Yano, Masahiro; Uozumi, Yuki; Yasuda, Satoshi; Asaoka, Hidehito

2018-06-01

Si nano-dot (ND) formation on Si(110) is observed by means of a scanning tunneling microscope (STM). The initial Si-NDs are Si crystals that are continuous from the substrate and grow during the oxide layer desorption. The NDs fabricated on the flat surface of Si(110)-1 × 1 are surrounded by four types of facets with almost identical appearance probabilities. An increase in the size of the NDs increases the variety of its morphology. In contrast, most Si-NDs fabricated on straight-stepped surface of Si(110)-16 × 2 reconstructed structure are surrounded by only a single type of facet, namely the \\text{Si}(17,15,1)-2 × 1 plane. An appearance probability of the facet in which the base line is along the step of Si(110)-16 × 2 exceeds 75%. This finding provides a fabrication technique of uniformed structural Si-NDs by using the reconstructed structure of Si(110).

Revision of the Li13Si4 structure.

PubMed

Zeilinger, Michael; Fässler, Thomas F

2013-11-06

Besides Li17Si4, Li16.42Si4, and Li15Si4, another lithium-rich representative in the Li-Si system is the phase Li13Si4 (trideca-lithium tetra-silicide), the structure of which has been determined previously [Frank et al. (1975 ▶). Z. Naturforsch. Teil B, 30, 10-13]. A careful analysis of X-ray diffraction patterns of Li13Si4 revealed discrepancies between experimentally observed and calculated Bragg positions. Therefore, we redetermined the structure of Li13Si4 on the basis of single-crystal X-ray diffraction data. Compared to the previous structure report, decisive differences are (i) the introduction of a split position for one Li site [occupancy ratio 0.838 (7):0.162 (7)], (ii) the anisotropic refinement of atomic displacement parameters for all atoms, and (iii) a high accuracy of atom positions and unit-cell parameters. The asymmetric unit of Li13Si4 contains two Si and seven Li atoms. Except for one Li atom situated on a site with symmetry 2/m, all other atoms are on mirror planes. The structure consists of isolated Si atoms as well as Si-Si dumbbells surrounded by Li atoms. Each Si atom is either 12- or 13-coordinated. The isolated Si atoms are situated in the ab plane at z = 0 and are strictly separated from the Si-Si dumbbells at z = 0.5.

X-ray structural study of intermetallic alloys RT{sub 2}Si and RTSi{sub 2} (R=rare earth, T=noble metal)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gribanov, Alexander, E-mail: avgri@mail.r; Chemistry Department of the Moscow State University, Leninskie Gory, GSP-1, 119991 Moscow; Grytsiv, Andriy

Two series of intermetallic alloys, RT{sub 2}Si and RTSi{sub 2}, have been synthesized from stoichiometric compositions. The crystal structures of EuPt{sub 1+x}Si{sub 2-x} (CeNiSi{sub 2}-type), CeIr{sub 2}Si (new structure type), YbPd{sub 2}Si and YbPt{sub 2}Si (both YPd{sub 2}Si-type) have been elucidated from X-ray single crystal CCD data, which were confirmed by XPD experiments. The crystal structures of LaRh{sub 2}Si and LaIr{sub 2}Si (CeIr{sub 2}Si-type), {l_brace}La,Ce,Pr,Nd{r_brace}AgSi{sub 2} (all TbFeSi{sub 2}-type), and EuPt{sub 2}Si (inverse CeNiSi{sub 2}-type) were characterized by XPD data. RT{sub 2}Si/RTSi{sub 2} compounds were neither detected in as-cast alloys Sc{sub 25}Pt{sub 50}Si{sub 25}, Eu{sub 25}Os{sub 25}Si{sub 50} and Eu{submore » 25}Rh{sub 25}Si{sub 50} nor after annealing at 900 {sup o}C. Instead, X-ray single crystal data prompted Eu{sub 2}Os{sub 3}Si{sub 5} (Sc{sub 2}Fe{sub 3}Si{sub 5}-type) and EuRh{sub 2+x}Si{sub 2-x} (x=0.04, ThCr{sub 2}Si{sub 2}-type) as well as a new structure type for Sc{sub 2}Pt{sub 3}Si{sub 2} (own type). - Graphical abstract: Two series of the intermetallic compounds, RT{sub 2}Si and RTSi{sub 2}, have been investigated by X-ray diffraction methods. The new tetragonal CeIr{sub 2}Si-type of the crystal structure was described and the interrelation between orthorhombic CeNiSi{sub 2} and tetragonal CeIr{sub 2}Si had been discussed as a similar packing of the BaAl{sub 4} and AlB{sub 2} slabs.« less

Liquid-phase explosive crystallization of electron-beam-evaporated a-Si films induced by flash lamp annealing

NASA Astrophysics Data System (ADS)

Ohdaira, Keisuke; Matsumura, Hideki

2013-01-01

We succeed in the formation of micrometer-order-thick polycrystalline silicon (poly-Si) films through the flash-lamp-induced liquid-phase explosive crystallization (EC) of precursor a-Si films prepared by electron-beam (EB) evaporation. The velocity of the explosive crystallization (vEC) is estimated to be ˜14 m/s, which is close to the velocity of the liquid-phase epitaxy (LPE) of Si at a temperature around the melting point of a-Si of 1418 K. Poly-Si films formed have micrometer-order-long grains stretched along a lateral crystallization direction, and X-ray diffraction (XRD) and electron diffraction pattern measurements reveal that grains in poly-Si films tend to have a particular orientation. These features are significantly different from our previous results: the formation of poly-Si films containing randomly-oriented 10-nm-sized fine grains formed from a-Si films prepared by catalytic chemical vapor deposition (Cat-CVD) or sputtering. One possible reason for the emergence of a different EC mode in EB-evaporated a-Si films is the suppression of solid-phase nucleation (SPN) during Flash Lamp Annealing (FLA) due to tensile stress which precursor a-Si films originally hold. Poly-Si films formed from EB-evaporated a-Si films would contribute to the realization of high-efficiency thin-film poly-Si solar cells because of large and oriented grains.

Relaxations of fluorouracil tautomers by decorations of fullerene-like SiCs: DFT studies

NASA Astrophysics Data System (ADS)

Kouchaki, Alireza; Gülseren, Oğuz; Hadipour, Nasser; Mirzaei, Mahmoud

2016-06-01

Decorations of silicon carbide (SiC) fullerene-like nanoparticles by fluorouracil (FU) and its tautomers are investigated through density functional theory (DFT) calculations. Two models of fullerene-like particles including Si12C8 and Si8C12 are constructed to be counterparts of decorated hybrid structures, FU@Si12C8 and FU@Si8C12, respectively. The initial models including original FU and tautomeric structures and SiC nanoparticles are individually optimized and then combined for further optimizations in the hybrid forms. Covalent bonds are observed for FU@Si12C8 hybrids, whereas non-covalent interactions are seen for FU@Si8C12 ones. The obtained properties indicated that Si12C8 model could be considered as a better counterpart for interactions with FU structures than Si8C12 model. The results also showed significant effects of interactions on the properties of atoms close to the interacting regions in nanoparticles. Finally, the tautomeric structures show different behaviors in interactions with SiC nanoparticles, in which the SiC nanoparticles could be employed to detect the situations of tautomeric processes for FU structures.

Pressure-induced structural transformations of the Zintl phase sodium silicide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cabrera, Raul Quesada; Salamat, Ashkan; Barkalov, Oleg I.

The high-pressure behaviour of NaSi has been studied using Raman spectroscopy and angle-dispersive synchrotron X-ray diffraction to observe the onset of structural phase transformations and potential oligomerisation into anionic Si nanoclusters with extended dimensionality. Our studies reveal a first structural transformation occurring at 8-10 GPa, followed by irreversible amorphisation above 15 GPa, suggesting the formation of Si-Si bonds with oxidation of the Si{sup -} species and reduction of Na{sup +} to metallic sodium. We have combined our experimental studies with DFT calculations to assist in the analysis of the structural behaviour of NaSi at high pressure. - Abstract: The high-pressuremore » behaviour of NaSi has been studied using Raman spectroscopy and angle-dispersive synchrotron X-ray diffraction. Our studies reveal a first structural transformation occurring at 8-10 GPa, followed by irreversible amorphisation, suggesting the formation of Si-Si bonds with oxidation of the Si{sup -} species and reduction of Na{sup +} to metallic sodium. We have combined our experimental studies with DFT calculations to assist in the analysis of the structural behaviour of NaSi at high pressure. Display Omitted« less

The Effect of SiC Polytypes on the Heat Distribution Efficiency of a Phase Change Memory.

NASA Astrophysics Data System (ADS)

Aziz, M. S.; Mohammed, Z.; Alip, R. I.

2018-03-01

The amorphous to crystalline transition of germanium-antimony-tellurium (GST) using three types of silicon carbide’s structure as a heating element was investigated. Simulation was done using COMSOL Multiphysic 5.0 software with separate heater structure. Silicon carbide (SiC) has three types of structure; 3C-SiC, 4H-SiC and 6H-SiC. These structures have a different thermal conductivity. The temperature of GST and phase transition of GST can be obtained from the simulation. The temperature of GST when using 3C-SiC, 4H-SiC and 6H-SiC are 467K, 466K and 460K, respectively. The phase transition of GST from amorphous to crystalline state for three type of SiC’s structure can be determined in this simulation. Based on the result, the thermal conductivity of SiC can affecting the temperature of GST and changed of phase change memory (PCM).

Magnetic, ferroelectric and leakage current properties of gadolinium doped bismuth ferrite thin films by sol-gel method

NASA Astrophysics Data System (ADS)

Chen, Hone-Zern; Kao, Ming-Cheng; Young, San-Lin; Hwang, Jun-Dar; Chiang, Jung-Lung; Chen, Po-Yen

2015-05-01

Bi0.9Gd0.1FeO3 (BGFO) thin films were fabricated on Pt(111)/Ti/SiO2/Si(100) substrates by using the sol-gel technology. The effects of annealing temperature (400-700 °C) on microstructure and multiferroic properties of thin films were investigated. The X-ray diffraction analysis showed that the BGFO thin films had an orthorhombic structure. The thin films showed ferroelectric and ferromagnetic properties with remanent polarization (2Pr) of 10 μC/cm2, remnant magnetization (2Mr) of 2.4 emu/g and saturation magnetization (Ms) of 5.3 emu/g. A small leakage current density (J) was 4.64×10-8 A/cm2 under applied field 100 kV/cm. It was found that more than one conduction mechanism is involved in the electric field range used in these experiments. The leakage current mechanisms were controlled by Poole-Frenkel emission in the low electric field region and by Schottky emission from the Pt electrode in the high field region.

Interface Si donor control to improve dynamic performance of AlGaN/GaN MIS-HEMTs

NASA Astrophysics Data System (ADS)

Song, Liang; Fu, Kai; Zhang, Zhili; Sun, Shichuang; Li, Weiyi; Yu, Guohao; Hao, Ronghui; Fan, Yaming; Shi, Wenhua; Cai, Yong; Zhang, Baoshun

2017-12-01

In this letter, we have studied the performance of AlGaN/GaN metal-insulator-semiconductor high electron mobility transistors (MIS-HEMTs) with different interface Si donor incorporation which is tuned during the deposition process of LPCVD-SiNx which is adopted as gate dielectric and passivation layer. Current collapse of the MIS-HEMTs without field plate is suppressed more effectively by increasing the SiH2Cl2/NH3 flow ratio and the normalized dynamic on-resistance (RON) is reduced two orders magnitude after off-state VDS stress of 600 V for 10 ms. Through interface characterization, we have found that the interface deep-level traps distribution with high Si donor incorporation by increasing the SiH2Cl2/NH3 flow ratio is lowered. It's indicated that the Si donors are most likely to fill and screen the deep-level traps at the interface resulting in the suppression of slow trapping process and the virtual gate effect. Although the Si donor incorporation brings about the increase of gate leakage current (IGS), no clear degradation of breakdown voltage can be seen by choosing appropriate SiH2Cl2/NH3 flow ratio.

[Sports medical aspects in cardiac risk stratification--heart rate variability and exercise capacity].

PubMed

Banzer, W; Lucki, K; Bürklein, M; Rosenhagen, A; Vogt, L

2006-12-01

The present study investigates the association of the predicted CHD-risk (PROCAM) with the individual endurance capacity and heart rate variability (HRV) in a population-based sample of sedentary elderly. After stratification, in 57 men (48.1+/-9.5 yrs.) with an overall PROCAM-risk <10% (28.7+/-10.9 points) and 22 men (54.5+/-7.7 yrs.) with a coronary 10-year risk > or =10% (50.8+/-5.6 points) cycle ergometries and short-term HRV analysis of time (RRMEAN, SDNN, RMSSD) and frequency domain parameters (LF, HF, TP, LF/HF) were conducted. Additionally the autonomic stress index (SI) was calculated. Nonparametric tests were used for statistical correlation analysis (Spearman rho) and group comparisons (Mann-Whitney). For endurance capacity [W/kg] (r=-0.469, p<0.001), SDNN (r=-0.302, p<0.05), RMSSD (r= -0.311, p<0.05), LF (r=-0.325, p<0.05), HF (r= -0.311, p<0.05) and TP (r= -0.307, p<0.05) negative monotone correlations with the coronary score-risk were determined. Significant positive correlations were calculated for SI (r=0.476, p<0.001). Except for RRMEAN and LF/HF significant group differences (p<0.05) were computed for SDNN (30.0+/-20.0 vs 20.0+/-10.0 ms), RMSSD (22.2+/-18.3 vs 18.0+/-8.7 ms), LF (90.9+/-241.5 vs 41.35+/-81.1 ms(2)), HF (43.0+/-105.1 vs 18.0+/-27.0 ms(2)) and TP (189.0+/-457.1 vs 100.0+/-157.6 ms(2)). Significant differences (p<0.01) were evaluated for exercise capacity (2.4+/-0.5 vs 1.8+/-0.3 W/kg) and SI (90+/-183 vs 322+/-291). The results underline the predictive value of HRV analysis in risk stratification and outline the interrelation of a decreased exercise capacity and autonomic function with a raised individual 10-year cardiac risk. As an independent parameter of the vegetative regulatory state the stress index may contribute to an increased practical relevance of short-time HRV analysis.

On the atomic structure of liquid Ni-Si alloys: a neutron diffraction study

NASA Astrophysics Data System (ADS)

Gruner, S.; Marczinke, J.; Hennet, L.; Hoyer, W.; Cuello, G. J.

2009-09-01

The atomic structure of the liquid NiSi and NiSi2 alloys is investigated by means of neutron diffraction experiments with isotopic substitution. From experimental data-sets obtained using four Ni isotopes, partial structure factors and pair correlation functions are obtained by applying a reverse Monte Carlo modelling approach. Both alloys were found to exhibit a strong tendency to hetero-coordination within the first coordination shell. In particular, covalent Si-Si bonds with somewhat greater distances seem to influence the structure of the liquid NiSi alloy.

On the atomic structure of liquid Ni-Si alloys: a neutron diffraction study.

PubMed

Gruner, S; Marczinke, J; Hennet, L; Hoyer, W; Cuello, G J

2009-09-23

The atomic structure of the liquid NiSi and NiSi(2) alloys is investigated by means of neutron diffraction experiments with isotopic substitution. From experimental data-sets obtained using four Ni isotopes, partial structure factors and pair correlation functions are obtained by applying a reverse Monte Carlo modelling approach. Both alloys were found to exhibit a strong tendency to hetero-coordination within the first coordination shell. In particular, covalent Si-Si bonds with somewhat greater distances seem to influence the structure of the liquid NiSi alloy.

Selective epitaxial growth properties and strain characterization of Si1- x Ge x in SiO2 trench arrays

NASA Astrophysics Data System (ADS)

Koo, Sangmo; Jang, Hyunchul; Ko, Dae-Hong

2017-04-01

In this study, we investigated the formation of a Si1- x Ge x fin structure in SiO2 trench arrays via an ultra-high-vacuum chemical-vapor deposition (UHV-CVD) selective epitaxial growth (SEG) process. Defect generation and microstructures of Si1- x Ge x fin structures with different Ge concentrations ( x = 0.2, 0.3 and 0.45) were examined. In addition, the strain evolution of a Si1- x Ge x fin structure was analyzed by using reciprocal space mapping (RSM). An (111) facet was formed from the Si1- x Ge x epi-layer and SiO2 trench wall interface to minimize the interface and the surface energy. The Si1- x Ge x fin structures were fully relaxed along the direction perpendicular to the trenches regardless of the Ge concentration. On the other hand, the fin structures were fully or partially strained along the direction parallel to the trenches depending on the Ge concentration: fully strained Si0.8Ge0.2 and Si0.7Ge0.3, and a Si0.55Ge0.45 strain-relaxed buffer. We further confirmed that the strain on the Si1- x Ge x fin structures remained stable after oxide removal and H2/N2 post-annealing.

High-frame-rate infrared and visible cameras for test range instrumentation

NASA Astrophysics Data System (ADS)

Ambrose, Joseph G.; King, B.; Tower, John R.; Hughes, Gary W.; Levine, Peter A.; Villani, Thomas S.; Esposito, Benjamin J.; Davis, Timothy J.; O'Mara, K.; Sjursen, W.; McCaffrey, Nathaniel J.; Pantuso, Francis P.

1995-09-01

Field deployable, high frame rate camera systems have been developed to support the test and evaluation activities at the White Sands Missile Range. The infrared cameras employ a 640 by 480 format PtSi focal plane array (FPA). The visible cameras employ a 1024 by 1024 format backside illuminated CCD. The monolithic, MOS architecture of the PtSi FPA supports commandable frame rate, frame size, and integration time. The infrared cameras provide 3 - 5 micron thermal imaging in selectable modes from 30 Hz frame rate, 640 by 480 frame size, 33 ms integration time to 300 Hz frame rate, 133 by 142 frame size, 1 ms integration time. The infrared cameras employ a 500 mm, f/1.7 lens. Video outputs are 12-bit digital video and RS170 analog video with histogram-based contrast enhancement. The 1024 by 1024 format CCD has a 32-port, split-frame transfer architecture. The visible cameras exploit this architecture to provide selectable modes from 30 Hz frame rate, 1024 by 1024 frame size, 32 ms integration time to 300 Hz frame rate, 1024 by 1024 frame size (with 2:1 vertical binning), 0.5 ms integration time. The visible cameras employ a 500 mm, f/4 lens, with integration time controlled by an electro-optical shutter. Video outputs are RS170 analog video (512 by 480 pixels), and 12-bit digital video.

Time-resolved imaging of gas phase nanoparticle synthesis by laser ablation

NASA Astrophysics Data System (ADS)

Geohegan, David B.; Puretzky, Alex A.; Duscher, Gerd; Pennycook, Stephen J.

1998-06-01

The dynamics of nanoparticle formation, transport, and deposition by pulsed laser ablation of c-Si into 1-10 Torr He and Ar gases are revealed by imaging laser-induced photoluminescence and Rayleigh-scattered light from gas-suspended 1-10 nm SiOx particles. Two sets of dynamic phenomena are presented for times up to 15 s after KrF-laser ablation. Ablation of Si into heavier Ar results in a uniform, stationary plume of nanoparticles, while Si ablation into lighter He results in a turbulent ring of particles which propagates forward at 10 m/s. Nanoparticles unambiguously formed in the gas phase were collected on transmission electron microscope grids for Z-contrast imaging and electron energy loss spectroscopy analysis. The effects of gas flow on nanoparticle formation, photoluminescence, and collection are described.

New tetragonal derivatives of cubic NaZn{sub 13}-type structure: RNi{sub 6}Si{sub 6} compounds, crystal structure and magnetic ordering (R=Y, La, Ce, Sm, Gd–Yb)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pani, M.; Manfrinetti, P.; Provino, A.

2014-02-15

Novel RNi{sub 6}Si{sub 6} compounds adopt the new CeNi{sub 6}Si{sub 6}-type structure for R=La–Ce (tP52, space group P4/nbm N 125-1) and new YNi{sub 6}Si{sub 6}-type structure for R=Y, Sm, Gd–Yb (tP52, space group P4{sup ¯}b2N 117) that are tetragonal derivative of NaZn{sub 13}-type structure, like LaCo{sub 9}Si{sub 4}-type. The CeNi{sub 6}Si{sub 6}, GdNi{sub 6}Si{sub 6}, TbNi{sub 6}Si{sub 6}, DyNi{sub 6}Si{sub 6} and HoNi{sub 6}Si{sub 6} compounds are Curie–Weiss paramagnets down to ∼30 K, and do not order magnetically down to 5 K. However, the inverse paramagnetic susceptibility of LaNi{sub 6}Si{sub 6} does not follow Curie–Weiss law. The DyNi{sub 6}Si{sub 6}more » shows ferromagnetic-like saturation behaviour at 5 K in applied fields of 50 kOe, giving rise to a magnetic moment value of 6.5 μ{sub B}/f.u. in 50 kOe. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi{sub 6}Si{sub 6} with K=[±1/4, ±1/4, 0] wave vector below ∼10 K. - Graphical abstract: Novel (La, Ce)Ni{sub 6}Si{sub 6} compounds adopt the new CeNi{sub 6}Si{sub 6}-type structure and (Y, Sm, Gd–Yb) adopt the new YNi{sub 6}Si{sub 6}-type structure that are tetragonal derivative of NaZn{sub 13}-type structure, like LaCo{sub 9}Si{sub 4}-type. The CeNi{sub 6}Si{sub 6}, GdNi{sub 6}Si{sub 6}, TbNi{sub 6}Si{sub 6}, DyNi{sub 6}Si{sub 6} and HoNi{sub 6}Si{sub 6} compounds are Curie–Weiss paramagnets down to ∼30 K, and do not order magnetically down to 4.2 K. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi{sub 6}Si{sub 6} with K=[±1/4, ±1/4, 0] wave vector below ∼10 K. Display Omitted - Highlights: • The new (La, Ce)Ni{sub 6}Si{sub 6} compounds adopt the new CeNi{sub 6}Si{sub 6}-type structure. • The new (Y, Sm, Gd–Yb)Ni{sub 6}Si{sub 6} compounds adopt the new YNi{sub 6}Si{sub 6}-type structure. • TbNi{sub 6}Si{sub 6} has square modulated c-collinear antiferromagnetic ordering below ∼10 K.« less

The height variation of supergranular velocity fields determined from simultaneous OSO 8 satellite and ground-based observations

NASA Technical Reports Server (NTRS)

November, L. J.; Toomre, J.; Gebbie, K. B.; Simon, G. W.

1979-01-01

Results are reported for simultaneous satellite and ground-based observations of supergranular velocities in the sun, which were made using a UV spectrometer aboard OSO 8 and a diode-array instrument operating at the exit slit of an echelle spectrograph attached to a vacuum tower telescope. Observations of the steady Doppler velocities seen toward the limb in the middle chromosphere and the photosphere are compared; the observed spectral lines of Si II at 1817 A and Fe I at 5576 A are found to differ in height of formation by about 1400 km. The results show that supergranular motions are able to penetrate at least 11 density scale heights into the middle chromosphere, that the patterns of motion correlate well with the cellular structure seen in the photosphere, and that the motion increases from about 800 m/s in the photosphere to at least 3000 m/s in the middle chromosphere. These observations imply that supergranular velocities should be evident in the transition region and that strong horizontal shear layers in supergranulation should produce turbulence and internal gravity waves.

A Plasmonic Mass Spectrometry Approach for Detection of Small Nutrients and Toxins

NASA Astrophysics Data System (ADS)

Wu, Shu; Qian, Linxi; Huang, Lin; Sun, Xuming; Su, Haiyang; Gurav, Deepanjali D.; Jiang, Mawei; Cai, Wei; Qian, Kun

2018-07-01

Nutriology relies on advanced analytical tools to study the molecular compositions of food and provide key information on sample quality/safety. Small nutrients detection is challenging due to the high diversity and broad dynamic range of molecules in food samples, and a further issue is to track low abundance toxins. Herein, we developed a novel plasmonic matrix-assisted laser desorption/ionization mass spectrometry (MALDI MS) approach to detect small nutrients and toxins in complex biological emulsion samples. Silver nanoshells (SiO2@Ag) with optimized structures were used as matrices and achieved direct analysis of 6 nL of human breast milk without any enrichment or separation. We performed identification and quantitation of small nutrients and toxins with limit-of-detection down to 0.4 pmol (for melamine) and reaction time shortened to minutes, which is superior to the conventional biochemical method currently in use. The developed approach contributes to the near-future application of MALDI MS in a broad field and personalized design of plasmonic materials for real-case bio-analysis.[Figure not available: see fulltext.

Materials Study of NbN and Ta x N Thin Films for SNS Josephson Junctions

DOE PAGES

Missert, Nancy; Brunke, Lyle; Henry, Michael D.; ...

2017-02-15

We investigated properties of NbN and Ta xN thin films grown at ambient temperatures on SiO 2/Si substrates by reactive-pulsed laser deposition and reactive magnetron sputtering (MS) as a function of N 2 gas flow. Both techniques produced films with smooth surfaces, where the surface roughness did not depend on the N 2 gas flow during growth. High crystalline quality, (111) oriented NbN films with T c up to 11 K were produced by both techniques for N contents near 50%. The low temperature transport properties of the Ta xN films depended upon both the N 2 partial pressure usedmore » during growth and the film thickness. Furthermore, the root mean square surface roughness of Ta xN films grown by MS increased as the film thickness decreased down to 10 nm.« less

Theoretical predictions of a bucky-diamond SiC cluster.

PubMed

Yu, Ming; Jayanthi, C S; Wu, S Y

2012-06-15

A study of structural relaxations of Si(n)C(m) clusters corresponding to different compositions, different relative arrangements of Si/C atoms, and different types of initial structure, reveals that the Si(n)C(m) bucky-diamond structure can be obtained for an initial network structure constructed from a truncated bulk 3C-SiC for a magic composition corresponding to n = 68 and m = 79. This study was performed using a semi-empirical Hamiltonian (SCED-LCAO) since it allowed an extensive search of different types of initial structures. However, the bucky-diamond structure predicted by this method was also confirmed by a more accurate density functional theory (DFT) based method. The bucky-diamond structure exhibited by a SiC-based system represents an interesting paradigm where a Si atom can form three-coordinated as well as four-coordinated networks with carbon atoms and vice versa and with both types of network co-existing in the same structure. Specifically, the bucky-diamond structure of the Si(68)C(79) cluster consists of a 35-atom diamond-like inner core (four-atom coordinations) suspended inside a 112-atom fullerene-like shell (three-atom coordinations).

Oscillatory activity in neocortical networks during tactile discrimination near the limit of spatial acuity.

PubMed

Adhikari, Bhim M; Sathian, K; Epstein, Charles M; Lamichhane, Bidhan; Dhamala, Mukesh

2014-05-01

Oscillatory interactions within functionally specialized but distributed brain regions are believed to be central to perceptual and cognitive functions. Here, using human scalp electroencephalography (EEG) recordings combined with source reconstruction techniques, we study how oscillatory activity functionally organizes different neocortical regions during a tactile discrimination task near the limit of spatial acuity. While undergoing EEG recordings, blindfolded participants felt a linear three-dot array presented electromechanically, under computer control, and reported whether the central dot was offset to the left or right. The average brain response differed significantly for trials with correct and incorrect perceptual responses in the timeframe approximately between 130 and 175ms. During trials with correct responses, source-level peak activity appeared in the left primary somatosensory cortex (SI) at around 45ms, in the right lateral occipital complex (LOC) at 130ms, in the right posterior intraparietal sulcus (pIPS) at 160ms, and finally in the left dorsolateral prefrontal cortex (dlPFC) at 175ms. Spectral interdependency analysis of activity in these nodes showed two distinct distributed networks, a dominantly feedforward network in the beta band (12-30Hz) that included all four nodes and a recurrent network in the gamma band (30-100Hz) that linked SI, pIPS and dlPFC. Measures of network activity in both bands were correlated with the accuracy of task performance. These findings suggest that beta and gamma band oscillatory networks coordinate activity between neocortical regions mediating sensory and cognitive processing to arrive at tactile perceptual decisions. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

Versatile mechanical properties of novel g-SiC x monolayers from graphene to silicene: a first-principles study.

PubMed

Lu, X K; Xin, T Y; Zhang, Q; Xu, Q; Wei, T H; Wang, Y X

2018-08-03

Recently, a series of graphene-like binary monolayers (g-SiC x ), where Si partly substitutes the C positions in graphene, have been obtained by tailoring the band gaps of graphene and silicene that have made them a promising material for application in opto-electronic devices. Subsequently, evaluating the mechanical properties of g-SiC x has assumed great importance for engineering applications. In this study, we quantified the in-plane mechanical properties of g-SiC x (x = 7, 5, 3, 2 and 1) monolayers (also including graphene and silicene) based on density function theory. It was found that the mechanical parameters of g-SiC x , such as the ideal strength, Young's modulus, shear modulus, Poisson's ratio, as well as fracture toughness, are overall related to the ratio of Si-C to C-C bonds, which varies with Si concentration. However, for g-SiC 7 and g-SiC 3 , the mechanical properties seem to depend on the structure because in g-SiC 7 , the C-C bond strength is severely weakened by abnormal stretching, and in g-SiC 3 , conjugation structure is formed. The microscopic failure of g-SiC x exhibits diverse styles depending on the more complex structural deformation modes introduced by Si substitution. We elaborated the structure-properties relationship of g-SiC x during the failure process, and in particular, found that the structural transformation of g-SiC 3 and g-SiC is due to the singular symmetry of their structure. Due to the homogeneous phase, all the g-SiC x investigated in this study preserve rigorous isotropic Young's moduli and Poisson's ratios. With versatile mechanical performances, the family of g-SiC x may facilitate the design of advanced two-dimensional materials to meet the needs for practical mechanical engineering applications. The results offer a fundamental understanding of the mechanical behaviors of g-SiC x monolayers.

Identification of urinary tract pathogens after 3-hours urine culture by MALDI-TOF mass spectrometry.

PubMed

Haiko, Johanna; Savolainen, Laura E; Hilla, Risto; Pätäri-Sampo, Anu

2016-10-01

Complicated urinary tract infections, such as pyelonephritis, may lead to sepsis. Rapid diagnosis is needed to identify the causative urinary pathogen and to verify the appropriate empirical antimicrobial therapy. We describe here a rapid identification method for urinary pathogens: urine is incubated on chocolate agar for 3h at 35°C with 5% CO2 and subjected to MALDI-TOF MS analysis by VITEK MS. Overall 207 screened clinical urine samples were tested in parallel with conventional urine culture. The method, called U-si-MALDI-TOF (urine short incubation MALDI-TOF), showed correct identification for 86% of Gram-negative urinary tract pathogens (Escherichia coli, Klebsiella pneumoniae, and other Enterobacteriaceae), when present at >10(5)cfu/ml in culture (n=107), compared with conventional culture method. However, Gram-positive bacteria (n=28) were not successfully identified by U-si-MALDI-TOF. This method is especially suitable for rapid identification of E. coli, the most common cause of urinary tract infections and urosepsis. Turnaround time for identification using U-si-MALDI-TOF compared with conventional urine culture was improved from 24h to 4-6h. Copyright © 2016 Elsevier B.V. All rights reserved.

Iron silicides at pressures of the Earth's inner core

NASA Astrophysics Data System (ADS)

Zhang, Feiwu; Oganov, Artem R.

2010-01-01

The Earth's core is expected to contain around 10 wt % light elements (S, Si, O, possibly C, H, etc.) alloyed with Fe and Ni. Very little is known about these alloys at pressures and temperatures of the core. Here, using the evolutionary crystal structure prediction methodology, we investigate Fe-Si compounds at pressures of up to 400 GPa, i.e. covering the pressure range of the Earth's core. Evolutionary simulations correctly find that at atmospheric pressure the known non-trivial structure with P213 symmetry is stable, while at pressures above 20 GPa the CsCl-type structure is stable. We show that among the possible Fe silicides (Fe3Si, Fe2Si, Fe5Si3, FeSi, FeSi2 and FeSi3) only FeSi with CsCl-type structure is thermodynamically stable at core pressures, while the other silicides are unstable to decomposition into Fe + FeSi or FeSi + Si. This is consistent with previous works and suggests that Si impurities contribute to stabilization of the body-centered cubic phase of Fe in the inner core.

Phonon transport control by nanoarchitecture including epitaxial Ge nanodots for Si-based thermoelectric materials

PubMed Central

Yamasaka, Shuto; Nakamura, Yoshiaki; Ueda, Tomohiro; Takeuchi, Shotaro; Sakai, Akira

2015-01-01

Phonon transport in Si films was controlled using epitaxially-grown ultrasmall Ge nanodots (NDs) with ultrahigh density for the purpose of developing Si-based thermoelectric materials. The Si/Ge ND stacked structures, which were formed by the ultrathin SiO2 film technique, exhibited lower thermal conductivities than those of the conventional nanostructured SiGe bulk alloys, despite the stacked structures having a smaller Ge fraction. This came from the large thermal resistance caused by phonon scattering at the Si/Ge ND interfaces. The phonon scattering can be controlled by the Ge ND structure, which was independent of Si layer structure for carrier transport. These results demonstrate the effectiveness of ultrasmall epitaxial Ge NDs as phonon scattering sources, opening up a route for the realisation of Si-based thermoelectric materials. PMID:26434678

Influence of Si concentration on the magnetization dynamics in as-sputtered FeCoSiN thin films at high frequencies

NASA Astrophysics Data System (ADS)

Xu, Feng; Chen, Xin; Ma, Yungui; Phuoc, N. N.; Zhang, Xiaoyu; Ong, C. K.

2008-10-01

In this work, the high-frequency magnetic permeability spectra of as-sputtered FeCoSiN films with various Si concentrations were investigated. The soft magnetic properties with an induced in-plane uniaxial anisotropy can only be obtained within some composition ranges because of the formation of different granular microstructures. The permeability spectra measured without any external fields (He) were well fitted based on the phenomenological Landau-Lifshitz-Gilbert equation. Results show that with the increase in Si concentration, the saturated magnetization 4πMs, the resonance frequency fr, the permeability μ, and the qualify factor Q values decrease, while the damping coefficient α and resonant frequency linewidth Δf increase. The increase in Gilbert damping coefficient α or G is ascribed to the increase in mosaicity or magnetic ripples with higher volume proportion of Si-rich matrix. The investigations on Δf-He relations indicate the extrinsic damping contribution from the two-magnon scattering in FeCoSiN, which is suggested to be due to the change in the granular microstructures compared with FeCoN.

Reduced thermal conductivity of nanotwinned random layer structures: a promising nanostructuring towards efficient Si and Si/Ge thermoelectric materials

NASA Astrophysics Data System (ADS)

Samaraweera, Nalaka; Chan, Kin L.; Mithraratne, Kumar

2018-05-01

Si and Si/Ge based nanostructures of reduced lattice thermal conductivity are widely attractive for developing efficient thermoelectric materials. In this study, we demonstrate the reduced thermal conductivity of Si nanotwinned random layer (NTRL) structures over corresponding superlattice and twin-free counterparts. The participation ratio analysis of vibrational modes shows that a possible cause of thermal conductivity reduction is phonon localization due to the random arrangement of twin boundaries. Via non-equilibrium molecular dynamic simulations, it is shown that ~23 and ~27% reductions over superlattice counterparts and ~55 and 53% over twin-free counterparts can be attained for the structures of total lengths of 90 and 170 nm, respectively. Furthermore, a random twin boundary distribution is applied for Si/Ge random layer structures seeking further reduction of thermal conductivity. A significant reduction in thermal conductivity of Si/Ge structures exceeding the thermal insulating performance of the corresponding amorphous Si structure by ~31% for a total length of 90 nm can be achieved. This reduction is as high as ~98% compared to the twin-free Si counterpart. It is demonstrated that application of randomly organised nanoscale twin boundaries is a promising nanostructuring strategy towards developing efficient Si and Si/Ge based thermoelectric materials in the future.

Enhanced photovoltaic property by forming p-i-n structures containing Si quantum dots/SiC multilayers

PubMed Central

2014-01-01

Si quantum dots (Si QDs)/SiC multilayers were fabricated by annealing hydrogenated amorphous Si/SiC multilayers prepared in a plasma-enhanced chemical vapor deposition system. The thickness of amorphous Si layer was designed to be 4 nm, and the thickness of amorphous SiC layer was kept at 2 nm. Transmission electron microscopy observation revealed the formation of Si QDs after 900°C annealing. The optical properties of the Si QDs/SiC multilayers were studied, and the optical band gap deduced from the optical absorption coefficient result is 1.48 eV. Moreover, the p-i-n structure with n-a-Si/i-(Si QDs/SiC multilayers)/p-Si was fabricated, and the carrier transportation mechanism was investigated. The p-i-n structure was used in a solar cell device. The cell had the open circuit voltage of 532 mV and the power conversion efficiency (PCE) of 6.28%. PACS 81.07.Ta; 78.67.Pt; 88.40.jj PMID:25489285

Non-switching to switching transferring mechanism investigation for Ag/SiO x /p-Si structure with SiO x deposited by HWCVD

NASA Astrophysics Data System (ADS)

Liu, Yanhong; Wang, Ruoying; Li, Zhongyue; Wang, Song; Huang, Yang; Peng, Wei

2018-04-01

We proposed and fabricated an Ag/SiO x /p-Si sandwich structure, in which amorphous SiO x films were deposited through hot wire chemical vapor deposition (HWCVD) using tetraethylorthosilicate (TEOS) as Si and O precursor. Experimental results indicate that the I–V properties of this structure transfer from non-switching to switching operation as the SiO x deposition temperature increased. The device with SiO x deposited at high deposition temperature exhibits typical bipolar switching properties, which can be potentially used in resistive switching random accessible memory (RRAM). The transferring mechanism from non-switching to switching can be ascribed to the change of structural and electronic properties of SiO x active layer deposited at different temperatures, as evidenced by analyzing FTIR spectrum and fitting its I–V characteristics curves. This work demonstrates a safe and practicable low-temperature device-grade SiO x film deposition technology by conducting HWCVD from TEOS.

Robust mode space approach for atomistic modeling of realistically large nanowire transistors

NASA Astrophysics Data System (ADS)

Huang, Jun Z.; Ilatikhameneh, Hesameddin; Povolotskyi, Michael; Klimeck, Gerhard

2018-01-01

Nanoelectronic transistors have reached 3D length scales in which the number of atoms is countable. Truly atomistic device representations are needed to capture the essential functionalities of the devices. Atomistic quantum transport simulations of realistically extended devices are, however, computationally very demanding. The widely used mode space (MS) approach can significantly reduce the numerical cost, but a good MS basis is usually very hard to obtain for atomistic full-band models. In this work, a robust and parallel algorithm is developed to optimize the MS basis for atomistic nanowires. This enables engineering-level, reliable tight binding non-equilibrium Green's function simulation of nanowire metal-oxide-semiconductor field-effect transistor (MOSFET) with a realistic cross section of 10 nm × 10 nm using a small computer cluster. This approach is applied to compare the performance of InGaAs and Si nanowire n-type MOSFETs (nMOSFETs) with various channel lengths and cross sections. Simulation results with full-band accuracy indicate that InGaAs nanowire nMOSFETs have no drive current advantage over their Si counterparts for cross sections up to about 10 nm × 10 nm.

Pressure-induced structural change in MgSiO3 glass at pressures near the Earth's core–mantle boundary

NASA Astrophysics Data System (ADS)

Kono, Yoshio; Shibazaki, Yuki; Kenney-Benson, Curtis; Wang, Yanbin; Shen, Guoyin

2018-02-01

Knowledge of the structure and properties of silicate magma under extreme pressure plays an important role in understanding the nature and evolution of Earth’s deep interior. Here we report the structure of MgSiO3 glass, considered an analog of silicate melts, up to 111 GPa. The first (r1) and second (r2) neighbor distances in the pair distribution function change rapidly, with r1 increasing and r2 decreasing with pressure. At 53–62 GPa, the observed r1 and r2 distances are similar to the Si-O and Si-Si distances, respectively, of crystalline MgSiO3 akimotoite with edge-sharing SiO6 structural motifs. Above 62 GPa, r1 decreases, and r2 remains constant, with increasing pressure until 88 GPa. Above this pressure, r1 remains more or less constant, and r2 begins decreasing again. These observations suggest an ultrahigh-pressure structural change around 88 GPa. The structure above 88 GPa is interpreted as having the closest edge-shared SiO6 structural motifs similar to those of the crystalline postperovskite, with densely packed oxygen atoms. The pressure of the structural change is broadly consistent with or slightly lower than that of the bridgmanite-to-postperovskite transition in crystalline MgSiO3. These results suggest that a structural change may occur in MgSiO3 melt under pressure conditions corresponding to the deep lower mantle.

p-n Junction Diodes Fabricated on Si-Si/Ge Heteroepitaxial Films

NASA Technical Reports Server (NTRS)

Das, K.; Mazumder, M. D. A.; Hall, H.; Alterovitz, Samuel A. (Technical Monitor)

2000-01-01

A set of photolithographic masks was designed for the fabrication of diodes in the Si-Si/Ge material system. Fabrication was performed on samples obtained from two different wafers: (1) a complete HBT structure with an n (Si emitter), p (Si/Ge base), and an n/n+ (Si collector/sub-collector) deposited epitaxially (MBE) on a high resistivity p-Si substrate, (2) an HBT structure where epitaxial growth was terminated after the p-type base (Si/Ge) layer deposition. Two different process runs were attempted for the fabrication of Si-Si/Ge (n-p) and Si/Ge-Si (p-n) junction diodes formed between the emitter-base and base-collector layers, respectively, of the Si-Si/Ge-Si HBT structure. One of the processes employed a plasma etching step to expose the p-layer in the structure (1) and to expose the e-layer in structure (2). The Contact metallization used for these diodes was a Cu-based metallization scheme that was developed during the first year of the grant. The plasma-etched base-collector diodes on structure (2) exhibited well-behaved diode-like characteristics. However, the plasma-etched emitter-base diodes demonstrated back-to-back diode characteristics. These back-to back characteristics were probably due to complete etching of the base-layer, yielding a p-n-p diode. The deep implantation process yielded rectifying diodes with asymmetric forward and reverse characteristics. The ideality factor of these diodes were between 1.6 -2.1, indicating that the quality of the MBE grown epitaxial films was not sufficiently high, and also incomplete annealing of the implantation damage. Further study will be conducted on CVD grown films, which are expected to have higher epitaxial quality.

Profiling Jet Fuel on Neurotoxic Components With Comprehensive Two-Dimensional GC

DTIC Science & Technology

2007-11-01

nitrogen gas to remove possible contaminants that might interfere in the GCxGC-ToF-MS analysis. The generated JP-8 vapor was lead through the...dimension (min) S ec on d di m en si on (s ) Mono Aromatics Polycyclic Aromatic Hydrocarbons Naphthens Sulfur components Alkanes Figure 14...10.0 20.0 30.0 40.0 50.0 60.0 70.0 First dimension (min) S ec on d di m en si on (s ) Mono Aromatics Polycyclic Aromatic Hydrocarbons Naphthens

Isolated, well-defined organovanadium(iii) on silica: Single-site catalyst for hydrogenation of alkenes and alkynes

DOE PAGES

Sohn, H.; Camacho-Bunquin, J.; Langeslay, R. R.; ...

2017-05-03

Well-defined, isolated, single-site organovanadium(III) catalyst on SiO 2 [(SiO 2)V(Mes)(THF)] were synthesized via surface organometallic chemistry, and fully characterized using a combination of analytical and spectroscopic techniques (EA, ICP, 1H NMR, TGA-MS, EPR, XPS, DR-UV/Vis, UV-Raman, DRIFTS, XAS). The catalysts exhibit unprecedented reactivity in liquid- and gas-phase alkene/alkyne hydrogenation. Catalyst poisoning experiments revealed that 100% of the V sites are active for hydrogenation.

Pressure-induced structural transformations of the Zintl phase sodium silicide

NASA Astrophysics Data System (ADS)

Cabrera, Raúl Quesada; Salamat, Ashkan; Barkalov, Oleg I.; Leynaud, Olivier; Hutchins, Peter; Daisenberger, Dominik; Machon, Denis; Sella, Andrea; Lewis, Dewi W.; McMillan, Paul F.

2009-09-01

The high-pressure behaviour of NaSi has been studied using Raman spectroscopy and angle-dispersive synchrotron X-ray diffraction to observe the onset of structural phase transformations and potential oligomerisation into anionic Si nanoclusters with extended dimensionality. Our studies reveal a first structural transformation occurring at 8-10 GPa, followed by irreversible amorphisation above 15 GPa, suggesting the formation of Si-Si bonds with oxidation of the Si - species and reduction of Na + to metallic sodium. We have combined our experimental studies with DFT calculations to assist in the analysis of the structural behaviour of NaSi at high pressure.

Physical characteristics of chitosan-silica composite of rice husk ash

NASA Astrophysics Data System (ADS)

Sumarni, Woro; Sri Iswari, Retno; Marwoto, Putut; Rahayu, Endah F.

2016-02-01

Some previous studies showed that the characteristics of chitosan membranes have a very rigid and non-porous structure so that its utilization is not maximized, particularly in the filtration process. Hence, it needs modification to improve the quality of the chitosan membranes. Adding the silica into the chitosan membranes is one of the offered solutions to overcome the problems of physical and mechanical properties of chitosan. This study aims to investigate the effect of variations in the silica composition to the physical characteristics of the chitosan-silica membranes of rice husk ash that were synthesized. The chitosan used is derived from the chitin of Vannamei shrimps’ shell with 82% degree of de-acetylation, while the silica was synthesized from rice husk ash with rendering of silica (SiO2) by 5% and the results of XRD analysis showed an amorphous phase. Membrane synthesis was performed using the phase inversion method with chitosan-silica mass ratios of rice husk ash, which were 1:0.0; 1:0.5; 1:1.0; 1:1.5 and 1:2.0. The results showed that the addition of silica increases the swelling index and the membrane permeability. The results of the analysis, FTIR spectra, obtained a new functional group after the addition of silica, they are Si-OH, Si-O-Si, and CO- NH2. The morphology test using CCD Microscope MS-804 results in the very tight chitosan membranes without the silica surface, it has no pores, smooth and homogeneous, while the chitosan-silica composite membrane of rice husk ash obviously has cracks and small cavities that seemed to spread out.

Cross-Linking/Mass Spectrometry for Studying Protein Structures and Protein-Protein Interactions: Where Are We Now and Where Should We Go from Here?

PubMed

Sinz, Andrea

2018-05-28

Structural mass spectrometry (MS) is gaining increasing importance for deriving valuable three-dimensional structural information on proteins and protein complexes, and it complements existing techniques, such as NMR spectroscopy and X-ray crystallography. Structural MS unites different MS-based techniques, such as hydrogen/deuterium exchange, native MS, ion-mobility MS, protein footprinting, and chemical cross-linking/MS, and it allows fundamental questions in structural biology to be addressed. In this Minireview, I will focus on the cross-linking/MS strategy. This method not only delivers tertiary structural information on proteins, but is also increasingly being used to decipher protein interaction networks, both in vitro and in vivo. Cross-linking/MS is currently one of the most promising MS-based approaches to derive structural information on very large and transient protein assemblies and intrinsically disordered proteins. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

CVD synthesis of large-area, highly crystalline MoSe2 atomic layers on diverse substrates and application to photodetectors.

PubMed

Xia, Jing; Huang, Xing; Liu, Ling-Zhi; Wang, Meng; Wang, Lei; Huang, Ben; Zhu, Dan-Dan; Li, Jun-Jie; Gu, Chang-Zhi; Meng, Xiang-Min

2014-08-07

Synthesis of large-area, atomically thin transition metal dichalcogenides (TMDs) on diverse substrates is of central importance for the large-scale fabrication of flexible devices and heterojunction-based devices. In this work, we successfully synthesized a large area of highly-crystalline MoSe2 atomic layers on SiO2/Si, mica and Si substrates using a simple chemical vapour deposition (CVD) method at atmospheric pressure. Atomic force microscopy (AFM) and Raman spectroscopy reveal that the as-grown ultrathin MoSe2 layers change from a single layer to a few layers. Photoluminescence (PL) spectroscopy demonstrates that while the multi-layer MoSe2 shows weak emission peaks, the monolayer has a much stronger emission peak at ∼ 1.56 eV, indicating the transition from an indirect to a direct bandgap. Transmission electron microscopy (TEM) analysis confirms the single-crystallinity of MoSe2 layers with a hexagonal structure. In addition, the photoresponse performance of photodetectors based on MoSe2 monolayer was studied for the first time. The devices exhibit a rapid response of ∼ 60 ms and a good photoresponsivity of ∼ 13 mA/W (using a 532 nm laser at an intensity of 1 mW mm(-2) and a bias of 10 V), suggesting that MoSe2 monolayer is a promising material for photodetection applications.

U.S. EPA, Pesticide Product Label, , 12/29/1972

EPA Pesticide Factsheets

2011-04-14

... Ion Is • slroltl dIoIilltl .... inltibitar ..... 6 Jetl r . f'triplt,raf ""UI systeMs .. ".11 tI. CIr· ~c: ilild rnpillt., ... At l1li lilt " pallIIOIIIty vde'llll, .... 1 .lul ..... SI' .... ...

Impact of target mRNA structure on siRNA silencing efficiency: A large-scale study.

PubMed

Gredell, Joseph A; Berger, Angela K; Walton, S Patrick

2008-07-01

The selection of active siRNAs is generally based on identifying siRNAs with certain sequence and structural properties. However, the efficiency of RNA interference has also been shown to depend on the structure of the target mRNA, primarily through studies using exogenous transcripts with well-defined secondary structures in the vicinity of the target sequence. While these studies provide a means for examining the impact of target sequence and structure independently, the predicted secondary structures for these transcripts are often not reflective of structures that form in full-length, native mRNAs where interactions can occur between relatively remote segments of the mRNAs. Here, using a combination of experimental results and analysis of a large dataset, we demonstrate that the accessibility of certain local target structures on the mRNA is an important determinant in the gene silencing ability of siRNAs. siRNAs targeting the enhanced green fluorescent protein were chosen using a minimal siRNA selection algorithm followed by classification based on the predicted minimum free energy structures of the target transcripts. Transfection into HeLa and HepG2 cells revealed that siRNAs targeting regions of the mRNA predicted to have unpaired 5'- and 3'-ends resulted in greater gene silencing than regions predicted to have other types of secondary structure. These results were confirmed by analysis of gene silencing data from previously published siRNAs, which showed that mRNA target regions unpaired at either the 5'-end or 3'-end were silenced, on average, approximately 10% more strongly than target regions unpaired in the center or primarily paired throughout. We found this effect to be independent of the structure of the siRNA guide strand. Taken together, these results suggest minimal requirements for nucleation of hybridization between the siRNA guide strand and mRNA and that both mRNA and guide strand structure should be considered when choosing candidate siRNAs. (c) 2008 Wiley Periodicals, Inc.

Impact of target mRNA structure on siRNA silencing efficiency: a large-scale study

PubMed Central

Gredell, Joseph A.; Berger, Angela K.; Walton, S. Patrick

2009-01-01

The selection of active siRNAs is generally based on identifying siRNAs with certain sequence and structural properties. However, the efficiency of RNA interference has also been shown to depend on the structure of the target mRNA, primarily through studies using exogenous transcripts with well-defined secondary structures in the vicinity of the target sequence. While these studies provide a means for examining the impact of target sequence and structure independently, the predicted secondary structures for these transcripts are often not reflective of structures that form in full-length, native mRNAs where interactions can occur between relatively remote segments of the mRNAs. Here, using a combination of experimental results and analysis of a large dataset, we demonstrate that the accessibility of certain local target structures on the mRNA is an important determinant in the gene silencing ability of siRNAs. siRNAs targeting the enhanced green fluorescent protein were chosen using a minimal siRNA selection algorithm followed by classification based on the predicted minimum free energy structures of the target transcripts. Transfection into HeLa and HepG2 cells revealed that siRNAs targeting regions of the mRNA predicted to have unpaired 5’- and 3’-ends resulted in greater gene silencing than regions predicted to have other types of secondary structure. These results were confirmed by analysis of gene silencing data from previously published siRNAs, which showed that mRNA target regions unpaired at either the 5’-end or 3’-end were silenced, on average, ~10% more strongly than target regions unpaired in the center or primarily paired throughout. We found this effect to be independent of the structure of the siRNA guide strand. Taken together, these results suggest minimal requirements for nucleation of hybridization between the siRNA guide strand and mRNA and that both mRNA and guide strand structure should be considered when choosing candidate siRNAs. PMID:18306428

Comparative evaluation of simple indices of insulin resistance.

PubMed

Vaccaro, Olga; Masulli, Maria; Cuomo, Vincenzo; Rivellese, Angela Albarosa; Uusitupa, Matti; Vessby, Bengt; Hermansen, Kjeld; Tapsell, Linda; Riccardi, Gabriele

2004-12-01

Various surrogate methods for the quantification of insulin sensitivity have been proposed. A comparative evaluation is lacking and is relevant for the standardization of investigative methods and comparability of results. The aims of the study were to perform a comparative validation of fasting insulin, homeostasis model assessment (HOMA), Quantitative Insulin Sensitivity Check Index (QUICKI), and revised-QUICKI (R-QUICKI) against minimal model derived estimates of insulin sensitivity (SI(MM)) in nondiabetic people and to carry out a comparative evaluation of the ability of these indices as means for the identification of individuals with the metabolic syndrome (MS) on a population basis. We used 2 data sets defined as "validation sample" and "prevalence sample". Validation sample: a total of 162 healthy men and women aged 30 to 65 years were studied by frequently sampled intravenous glucose tolerance test (FSIVGTT). SI(MM) was calculated with the Minmod program. Prevalence sample: a total of 2,731 nondiabetic men and women aged 35 to 65 years were studied. In both samples, anthropometry, blood pressure, fasting glucose, insulin, triglycerides, high-density lipoprotein (HDL) cholesterol, and free fatty acid (FFA) were measured. HOMA, QUICKI, and R-QUICKI were calculated. The MS was defined according to the Adult Treatment Panel III. Validation sample: insulin, HOMA, QUICKI, and R-QUICKI significantly correlated with SI(MM) (r = -0,53, -0.52, 0.41, 0.33; all P < .001). The finding was confirmed in obese (body mass index [BMI] > or =25 kg/m(2)), but in the normal weight, the correlation coefficient for QUICKI was significantly smaller than for the other indices. Receiver operator characteristic (ROC) curve analysis performed with SI(MM) below or above the lowest 25th percentile (ie, insulin resistance yes, no) as the outcome variable and each of the 4 indices as the test variable showed no significant differences in the areas under the curve. Prevalence sample: prevalence of the MS progressively increased across quartiles of insulin resistance as evaluated by any of the 4 indices, with no significant differences between them. The novel indices QUICKI and R-QUICKI do not perform better than HOMA and fasting insulin as surrogate measures of insulin resistance or means for the identification of people with MS in the general population.

Revision of the Li13Si4 structure

PubMed Central

Zeilinger, Michael; Fässler, Thomas F.

2013-01-01

Besides Li17Si4, Li16.42Si4, and Li15Si4, another lithium-rich representative in the Li–Si system is the phase Li13Si4 (trideca­lithium tetra­silicide), the structure of which has been determined previously [Frank et al. (1975 ▶). Z. Naturforsch. Teil B, 30, 10–13]. A careful analysis of X-ray diffraction patterns of Li13Si4 revealed discrepancies between experimentally observed and calculated Bragg positions. Therefore, we redetermined the structure of Li13Si4 on the basis of single-crystal X-ray diffraction data. Compared to the previous structure report, decisive differences are (i) the introduction of a split position for one Li site [occupancy ratio 0.838 (7):0.162 (7)], (ii) the anisotropic refinement of atomic displacement parameters for all atoms, and (iii) a high accuracy of atom positions and unit-cell parameters. The asymmetric unit of Li13Si4 contains two Si and seven Li atoms. Except for one Li atom situated on a site with symmetry 2/m, all other atoms are on mirror planes. The structure consists of isolated Si atoms as well as Si–Si dumbbells surrounded by Li atoms. Each Si atom is either 12- or 13-coordinated. The isolated Si atoms are situated in the ab plane at z = 0 and are strictly separated from the Si–Si dumbbells at z = 0.5. PMID:24454148

Metal-like Band Structures of Ultrathin Si {111} and {112} Surface Layers Revealed through Density Functional Theory Calculations.

PubMed

Tan, Chih-Shan; Huang, Michael H

2017-09-04

Density functional theory calculations have been performed on Si (100), (110), (111), and (112) planes with tunable number of planes for evaluation of their band structures and density of states profiles. The purpose is to see whether silicon can exhibit facet-dependent properties derived from the presence of a thin surface layer having different band structures. No changes have been observed for single to multiple layers of Si (100) and (110) planes with a consistent band gap between the valence band and the conduction band. However, for 1, 2, 4, and 5 Si (111) and (112) planes, metal-like band structures were obtained with continuous density of states going from the valence band to the conduction band. For 3, 6, and more Si (111) planes, as well as 3 and 6 Si (112) planes, the same band structure as that seen for Si (100) and (110) planes has been obtained. Thus, beyond a layer thickness of five Si (111) planes at ≈1.6 nm, normal semiconductor behavior can be expected. The emergence of metal-like band structures for the Si (111) and (112) planes are related to variation in Si-Si bond length and bond distortion plus 3s and 3p orbital electron contributions in the band structure. This work predicts possession of facet-dependent electrical properties of silicon with consequences in FinFET transistor design. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Tailoring the strain in Si nano-structures for defect-free epitaxial Ge over growth.

PubMed

Zaumseil, P; Yamamoto, Y; Schubert, M A; Capellini, G; Skibitzki, O; Zoellner, M H; Schroeder, T

2015-09-04

We investigate the structural properties and strain state of Ge nano-structures selectively grown on Si pillars of about 60 nm diameter with different SiGe buffer layers. A matrix of TEOS SiO2 surrounding the Si nano-pillars causes a tensile strain in the top part at the growth temperature of the buffer that reduces the misfit and supports defect-free initial growth. Elastic relaxation plays the dominant role in the further increase of the buffer thickness and subsequent Ge deposition. This method leads to Ge nanostructures on Si that are free from misfit dislocations and other structural defects, which is not the case for direct Ge deposition on these pillar structures. The Ge content of the SiGe buffer is thereby not a critical parameter; it may vary over a relatively wide range.

Graded Index Silicon Geranium on Lattice Matched Silicon Geranium Semiconductor Alloy

NASA Technical Reports Server (NTRS)

Park, Yeonjoon (Inventor); Choi, Sang H. (Inventor); King, Glen C. (Inventor); Elliott, James R., Jr. (Inventor); Stoakley, Diane M. (Inventor)

2009-01-01

A lattice matched silicon germanium (SiGe) semiconductive alloy is formed when a {111} crystal plane of a cubic diamond structure SiGe is grown on the {0001} C-plane of a single crystalline Al2O3 substrate such that a <110> orientation of the cubic diamond structure SiGe is aligned with a <1,0,-1,0> orientation of the {0001} C-plane. A lattice match between the substrate and the SiGe is achieved by using a SiGe composition that is 0.7223 atomic percent silicon and 0.2777 atomic percent germanium. A layer of Si(1-x), ,Ge(x) is formed on the cubic diamond structure SiGe. The value of X (i) defines an atomic percent of germanium satisfying 0.2277

Boron doped Si rich oxide/SiO{sub 2} and silicon rich nitride/SiN{sub x} bilayers on molybdenum-fused silica substrates for vertically structured Si quantum dot solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Ziyun, E-mail: z.lin@unsw.edu.au; Wu, Lingfeng; Jia, Xuguang

2015-07-28

Vertically structured Si quantum dots (QDs) solar cells with molybdenum (Mo) interlayer on quartz substrates would overcome current crowding effects found in mesa-structured cells. This study investigates the compatibility between boron (B) doped Si QDs bilayers and Mo-fused silica substrate. Both Si/SiO{sub 2} and Si/SiN{sub x} based QDs bilayers were studied. The material compatibility under high temperature treatment was assessed by examining Si crystallinity, microstress, thin film adhesion, and Mo oxidation. It was observed that the presence of Mo interlayer enhanced the Si QDs size confinement, crystalline fraction, and QDs size uniformity. The use of B doping was preferred comparedmore » to phosphine (PH{sub 3}) doping studied previously in terms of better surface and interface properties by reducing oxidized spots on the film. Though crack formation due to thermal mismatch after annealing remained, methods to overcome this problem were proposed in this paper. Schematic diagram to fabricate full vertical structured Si QDs solar cells was also suggested.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Warren, W.L.; Vanheusden, K.; Fleetwood, D.M.

Recently, the authors have demonstrated that annealing Si/SiO{sub 2}/Si structures in a hydrogen containing ambient introduces mobile H{sup +} ions into the buried SiO{sub 2} layer. Changes in the H{sup +} spatial distribution within the SiO{sub 2} layer were electrically monitored by current-voltage (I-V) measurements. The ability to directly probe reversible protonic motion in Si/SiO{sub 2}/Si structures makes this an exemplar system to explore the physics and chemistry of hydrogen in the technologically relevant Si/SiO{sub 2} structure. In this work, they illustrate that this effect can be used as the basis for a programmable nonvolatile field effect transistor (NVFET) memorymore » that may compete with other Si-based memory devices. The power of this novel device is its simplicity; it is based upon standard Si/SiO{sub 2}/Si technology and forming gas annealing, a common treatment used in integrated circuit processing. They also briefly discuss the effects of radiation on its retention properties.« less

Reconsideration of Si pillar thermal oxidation mechanism

NASA Astrophysics Data System (ADS)

Kageshima, Hiroyuki; Shiraishi, Kenji; Endoh, Tetsuo

2018-06-01

The mechanism of Si pillar thermal oxidation is considered. The Si emission is discussed in the oxidation of three-dimensional structures, which must be fundamentally important to understand the oxidation mechanism. It is confirmed that the Si emission is enhanced in the three-dimensional structures by the geometrical and stress effects. The larger effect is expected for Si spheres rather than for Si pillars. More enhanced Si emission can be expected for the smaller spheres. Then the mechanism of Si missing and the effect of Si emission are also discussed. The oxide viscous flow mechanism is the promising candidate to explain the Si missing, because the oxide viscosity could be reduced by the SiO incorporation and the compressive stress. The geometrical effect induces the viscosity gradient, which is important to induce the Si missing. Interplay of the emitted SiO and the accumulated stress is the key in Si pillar oxidation. Careful approaches are suggested for the oxidation of three-dimensional structures.

Influence of CO annealing in metal-oxide-semiconductor capacitors with SiO2 films thermally grown on Si and on SiC

NASA Astrophysics Data System (ADS)

Pitthan, E.; dos Reis, R.; Corrêa, S. A.; Schmeisser, D.; Boudinov, H. I.; Stedile, F. C.

2016-01-01

Understanding the influence of SiC reaction with CO, a by-product of SiC thermal oxidation, is a key point to elucidate the origin of electrical defects in SiC metal-oxide-semiconductor (MOS) devices. In this work, the effects on electrical, structural, and chemical properties of SiO2/Si and SiO2/SiC structures submitted to CO annealing were investigated. It was observed that long annealing times resulted in the incorporation of carbon from CO in the Si substrate, followed by deterioration of the SiO2/Si interface, and its crystallization as SiC. Besides, this incorporated carbon remained in the Si surface (previous SiO2/Si region) after removal of the silicon dioxide film by HF etching. In the SiC case, an even more defective surface region was observed due to the CO interaction. All MOS capacitors formed using both semiconductor materials presented higher leakage current and generation of positive effective charge after CO annealings. Such results suggest that the negative fixed charge, typically observed in SiO2/SiC structures, is not originated from the interaction of the CO by-product, formed during SiC oxidation, with the SiO2/SiC interfacial region.

Characterization of rodlike structures in Si-Ge-GaP alloys

NASA Astrophysics Data System (ADS)

Srikant, V.; Jesser, W. A.; Rosi, F. D.

1996-07-01

High-temperature microstructure of Si-Ge alloys containing 10-15 mole % GaP were studied. Quenching the 80/20 Si-Ge alloy (80 at. % Si) from above 1125 °C and the 50/50 Si-Ge alloy (50 at. % Si) from above 1025 °C resulted in a duplex microstructure. The two-phase regions consisted of a regular array of rodlike structures (GaP) in a Si-Ge matrix whereas the monophase regions were pure Si-Ge. These rodlike structures were found to lie along the [001] direction and result in {002} spots in a [100] electron diffraction pattern. The ``rods'' were about 35 and 45 nm in diameter in the case of the 80/20 and 50/50 alloy, respectively. These structures are not stable on annealing and do not form when the solidification rate is decreased.

New Diamond Color Center for Quantum Communication

NASA Astrophysics Data System (ADS)

Huang, Ding; Rose, Brendon; Tyryshkin, Alexei; Sangtawesin, Sorawis; Srinivasan, Srikanth; Twitchen, Daniel; Markham, Matthew; Edmonds, Andrew; Gali, Adam; Stacey, Alastair; Wang, Wuyi; D'Haenens-Johansson, Ulrika; Zaitsev, Alexandre; Lyon, Stephen; de Leon, Nathalie

2017-04-01

Color centers in diamond are attractive for quantum communication applications because of their long electron spin coherence times and efficient optical transitions. Previous demonstrations of color centers as solid-state spin qubits were primarily focused on centers that exhibit either long coherence times or highly efficient optical interfaces. Recently, we developed a method to stabilize the neutral charge state of silicon-vacancy center in diamond (SiV0) with high conversion efficiency. We observe spin relaxation times exceeding 1 minute and spin coherence times of 1 ms for SiV0 centers. Additionally, the SiV0 center also has > 90 % of its emission into its zero-phonon line and a narrow inhomogeneous optical linewidth. The combination of a long spin coherence time and efficient optical interface make the SiV0 center a promising candidate for applications in long distance quantum communication.

Mass spectrometry combinations for structural characterization of sulfated-steroid metabolites.

PubMed

Yan, Yuetian; Rempel, Don L; Holy, Timothy E; Gross, Michael L

2014-05-01

Steroid conjugates, which often occur as metabolites, are challenging to characterize. One application is female-mouse urine, where steroid conjugates serve as important ligands for the pheromone-sensing neurons. Although the two with the highest abundance in mouse urine were previously characterized with mass spectrometry (MS) and NMR to be sulfated steroids, many more exist but remain structurally unresolved. Given that their physical and chemical properties are similar, they are likely to have a sulfated steroid ring structure. Because these compounds occur in trace amounts in mouse urine and elsewhere, their characterization by NMR will be difficult. Thus, MS methods become the primary approach for determining structure. Here, we show that a combination of MS tools is effective for determining the structures of sulfated steroids. Using 4-pregnene analogs, we explored high-resolving power MS (HR-MS) to determine chemical formulae; HD exchange MS (HDX-MS) to determine number of active, exchangeable hydrogens (e.g., OH groups); methoxyamine hydrochloride (MOX) derivatization MS, or reactive desorption electrospray ionization with hydroxylamine to determine the number of carbonyl groups; and tandem MS (MS(n)), high-resolution tandem MS (HRMS/MS), and GC-MS to obtain structural details of the steroid ring. From the fragmentation studies, we deduced three major fragmentation rules for this class of sulfated steroids. We also show that a combined MS approach is effective for determining structure of steroid metabolites, with important implications for targeted metabolomics in general and for the study of mouse social communication in particular.

High-dose MeV electron irradiation of Si-SiO2 structures implanted with high doses Si+

NASA Astrophysics Data System (ADS)

Kaschieva, S.; Angelov, Ch; Dmitriev, S. N.

2018-03-01

The influence was studied of 22-MeV electron irradiation on Si-SiO2 structures implanted with high-fluence Si+ ions. Our earlier works demonstrated that Si redistribution is observed in Si+-ion-implanted Si-SiO2 structures (after MeV electron irradiation) only in the case when ion implantation is carried out with a higher fluence (1016 cm-2). We focused our attention on the interaction of high-dose MeV electron irradiation (6.0×1016 cm-2) with n-Si-SiO2 structures implanted with Si+ ions (fluence 5.4×1016 cm-2 of the same order magnitude). The redistribution of both oxygen and silicon atoms in the implanted Si-SiO2 samples after MeV electron irradiation was studied by Rutherford back-scattering (RBS) spectroscopy in combination with a channeling technique (RBS/C). Our results demonstrated that the redistribution of oxygen and silicon atoms in the implanted samples reaches saturation after these high doses of MeV electron irradiation. The transformation of amorphous SiO2 surface into crystalline Si nanostructures (after MeV electron irradiation) was evidenced by atomic force microscopy (AFM). Silicon nanocrystals are formed on the SiO2 surface after MeV electron irradiation. The shape and number of the Si nanocrystals on the SiO2 surface depend on the MeV electron irradiation, while their size increases with the dose. The mean Si nanocrystals height is 16-20 nm after irradiation with MeV electrons at the dose of 6.0×1016 cm-2.

Microstructural Evolution and Phase Formation in Rapidly Solidified Ni-25.3 At. Pct Si Alloy

NASA Astrophysics Data System (ADS)

Cao, Leigang; Cochrane, Robert F.; Mullis, Andrew M.

2015-10-01

The drop-tube technique was used to solidify droplets of the Ni-25.3 at. pct Si alloy at high cooling rates. XRD, SEM, and TEM analysis revealed that the metastable phase, Ni25Si9, formed as the dominant phase in all ranges of the droplets, with γ-Ni31Si12 and β 1-Ni3Si also being present. Three different microstructures were observed: the regular and anomalous eutectic structures and near single-phase structure containing small inclusions of a second phase, termed here as heteroclite structure. Both eutectic structures comprise alternating lamellae of Ni25Si9 and β 1-Ni3Si, which, we conjecture, is a consequence of an unobserved eutectic reaction between the Ni25Si9 and β 1-Ni3Si phases. The matrix of the heteroclite structure is also identified as the metastable phase Ni25Si9, in which twined growth is observed in the TEM. As the cooling rate is increased (particle size decreased), the proportion of droplets displaying the entire heteroclite structure tends to increase, with its fraction increasing from 13.91 pct (300 to 500 µm) to 40.10 pct (75 to 106 µm). The thermodynamic properties of the Ni25Si9 phase were also studied by in-situ heating during XRD analysis and by DTA. This showed the decomposition of Ni25Si9 to β 1 and γ-Ni31Si12 for temperatures in excess of 790 K (517 °C).

Study of low dimensional SiGe island on Si for potential visible Metal-Semiconductor-Metal photodetector

NASA Astrophysics Data System (ADS)

Rahim, Alhan Farhanah Abd; Zainal Badri, Nur'Amirah; Radzali, Rosfariza; Mahmood, Ainorkhilah

2017-11-01

In this paper, an investigation of design and simulation of silicon germanium (SiGe) islands on silicon (Si) was presented for potential visible metal semiconductor metal (MSM) photodetector. The characterization of the performances in term of the structural, optical and electrical properties of the structures was analyzed from the simulation results. The project involves simulation using SILVACO Technology Computer Aided Design (TCAD) tools. The different structures of the silicon germanium (SiGe) island on silicon substrate were created, which were large SiGe, small SiGe, combination SiGe and bulk Ge. All the structures were tested for potential Metal Semiconductor Metal (MSM) photodetector. The extracted data such as current versus voltage characteristic, current gain and spectral response were obtained using ATLAS SILVACO tools. The performance of SiGe island structures and bulk Ge on Si substrate as (MSM) photodetector was evaluated by photo and dark current-voltage (I-V) characteristics. It was found that SiGe islands exhibited higher energy band gap compared to bulk Ge. The SiGe islands current-voltage characteristics showed improved current gain compared to bulk Ge. Specifically the enhancement of the islands gain was contributed by the enhanced photo currents and lower dark currents. The spectral responses of the SiGe islands showed peak response at 590 nm (yellow) which is at the visible wavelength. This shows the feasibility of the SiGe islands to be utilized for visible photodetections.

Ge 3P 6Si 2O 25: A cage structure closely related to the intersecting tunnel structure KMo 3P 6Si 2O 25

NASA Astrophysics Data System (ADS)

Leclaire, A.; Raveau, B.

1988-08-01

A germanosilicophosphate Ge 3P 6Si 2O 25 has been isolated. Its structure was solved from a single-crystal study in the space group P overline31c . Its cell parameters are a = b = 7.994(1) Å, c = 16.513(2) Å, Z = 2. The refinement by full-matrix least-squares calculations leads to R = 0.043 with 686 independent reflections. The structure of this oxide is built up from corner-sharing PO 4 and SiO 4 tetrahedra and GeO 6 octahedra. One observes a feature common to several silicophosphates: the presence of the structural unit P 6Si 2O 25 built up from a disilicate group sharing its corners with six PO 4 tetrahedra. The structural relationships between this oxide and the silicophosphates AMo 3P 6Si 2O 25 and Si 3P 6Si 2O 25 (or Ge 3P 6 Ge 2O 25) are described.

Effect of etching parameters on antireflection properties of Si subwavelength grating structures for solar cell applications

NASA Astrophysics Data System (ADS)

Leem, J. W.; Song, Y. M.; Lee, Y. T.; Yu, J. S.

2010-09-01

Silicon (Si) subwavelength grating (SWG) structures were fabricated on Si substrates by holographic lithography and subsequent inductively coupled plasma (ICP) etching process using SiCl4 with or without Ar addition for solar cell applications. To ensure a good nanosized pattern transfer into the underlying Si layer, the etch selectivity of Si over the photoresist mask is optimized by varying the etching parameters, thus improving antireflection characteristics. For antireflection analysis of Si SWG surfaces, the optical reflectivity is measured experimentally and it is also calculated theoretically by a rigorous coupled-wave analysis. The reflectance depends on the height, period, and shape of two-dimensional periodic Si subwavelength structures, correlated with ICP etching parameters. The optimized Si SWG structure exhibits a dramatic decrease in optical reflection of the Si surface over a wide angle of incident light ( θ i ), i.e. less than 5% at wavelengths of 300-1100 nm, leading to good wide-angle antireflection characteristics (i.e. solar-weighted reflection of 1.7-4.9% at θ i <50°) of Si solar cells.

A high performance pMOSFET with two-step recessed SiGe-S/D structure for 32 nm node and beyond

NASA Astrophysics Data System (ADS)

Yasutake, Nobuaki; Azuma, Atsushi; Ishida, Tatsuya; Ohuchi, Kazuya; Aoki, Nobutoshi; Kusunoki, Naoki; Mori, Shinji; Mizushima, Ichiro; Morooka, Tetsu; Kawanaka, Shigeru; Toyoshima, Yoshiaki

2007-11-01

A novel SiGe-S/D structure for high performance pMOSFET called two-step recessed SiGe-source/drain (S/D) is developed with careful optimization of recessed SiGe-S/D structure. With this method, hole mobility, short channel effect and S/D resistance in pMOSFET are improved compared with conventional recessed SiGe-S/D structure. To enhance device performance such as drain current drivability, SiGe region has to be closer to channel region. Then, conventional deep SiGe-S/D region with carefully optimized shallow SiGe SDE region showed additional device performance improvement without SCE degradation. As a result, high performance 24 nm gate length pMOSFET was demonstrated with drive current of 451 μA/μm at ∣ Vdd∣ of 0.9 V and Ioff of 100 nA/μm (552 μA/μm at ∣ Vdd∣ of 1.0 V). Furthermore, by combining with Vdd scaling, we indicate the extendability of two-step recessed SiGe-S/D structure down to 15 nm node generation.

Microcrystalline silicon growth for heterojunction solar cells

NASA Technical Reports Server (NTRS)

Leung, D. C.; Iles, P. A.; Fang, P. H.

1984-01-01

Microcrystalline Si (m-Si) films with a 1.7eV energy bandgap and crystal size of several hundred A were e-beam evaporated on single crystalline Si (c-Si) to form a heterojunction with the substrate, or a window layer to a single crystalline p-n junction (heteroface structure). The goal was to enhance Voc by such uses of the larger bandgap m-Si, with the intriguing prospect of forming heterostructures with exact lattice match on each layer. The heterojunction structure was affected by interface and shunting problems and the best Voc achieved was only 482mV, well below that of single crystal Si homojunctions. The heteroface structure showed promise for some of the samples with p m-Si/p-n structure (the complementary structure did not show any improvement). Although several runs with different deposition conditions were run, the results were inconsistent. Any Voc enhancement obtained was too small to compensate for the current loss due to the extra absorption and poor carrier transport properties of the m-Si film.

Selective Production of 2-Methylfuran by Gas-Phase Hydrogenation of Furfural on Copper Incorporated by Complexation in Mesoporous Silica Catalysts.

PubMed

Jiménez-Gómez, Carmen Pilar; Cecilia, Juan A; Moreno-Tost, Ramón; Maireles-Torres, Pedro

2017-04-10

Copper species have been incorporated in mesoporous silica (MS) through complexation with the amine groups of dodecylamine, which was used as a structure-directing agent in the synthesis. A series of Cu/SiO 2 catalysts (xCu-MS) with copper loadings (x) from 2.5 to 20 wt % was synthesized and evaluated in the gas-phase hydrogenation of furfural (FUR). The most suitable catalytic performance in terms of 2-methylfuran yield was obtained with an intermediate copper content (10 wt %). This 10Cu-MS catalyst exhibits a 2-methylfuran yield higher than 95 mol % after 5 h time-on-stream (TOS) at a reaction temperature of 210 °C with a H 2 /FUR molar ratio of 11.5 and a weight hourly space velocity (WHSV) of 1.5 h -1 . After 14 h TOS, this catalyst still showed a yield of 80 mol %. In all cases, carbonaceous deposits on the external surface were the cause of the catalyst deactivation, although sintering of the copper particles was observed for higher copper loadings. This intermediate copper loading (10 wt %) offered a suitable balance between resistance to sintering and tendency to form carbonaceous deposits. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quasi-2D silicon structures based on ultrathin Me2Si (Me = Mg, Ca, Sr, Ba) films

NASA Astrophysics Data System (ADS)

Migas, D. B.; Bogorodz, V. O.; Filonov, A. B.; Borisenko, V. E.; Skorodumova, N. V.

2018-04-01

By means of ab initio calculations with hybrid functionals we show a possibility for quasi-2D silicon structures originated from semiconducting Mg2Si, Ca2Si, Sr2Si and Ba2Si silicides to exist. Such a 2D structure is similar to the one of transition metal chalcogenides where silicon atoms form a layer in between of metal atoms aligned in surface layers. These metal surface atoms act as pseudo passivation species stabilizing crystal structure and providing semiconducting properties. Considered 2D Mg2Si, Ca2Si, Sr2Si and Ba2Si have band gaps of 1.14 eV, 0.69 eV, 0.33 eV and 0.19 eV, respectively, while the former one is also characterized by a direct transition with appreciable oscillator strength. Electronic states of the surface atoms are found to suppress an influence of the quantum confinement on the band gaps. Additionally, we report Sr2Si bulk in the cubic structure to have a direct band gap of 0.85 eV as well as sizable oscillator strength of the first direct transition.

Probing structure, thermochemistry, electron affinity, and magnetic moment of thulium-doped silicon clusters TmSi n (n = 3-10) and their anions with density functional theory.

PubMed

Huang, Xintao; Yang, Jucai

2017-12-26

The most stable structures and electronic properties of TmSi n (n = 3-10) clusters and their anions have been probed by using the ABCluster global search technique combined with the PBE, TPSSh, and B3LYP density functional methods. The results revealed that the most stable structures of neutral TmSi n and their anions can be regarded as substituting a Si atom of the ground state structure of Si n + 1 with a Tm atom. The reliable AEAs, VDEs and simulated PES of TmSi n (n = 3-10) are presented. Calculations of HOMO-LUMO gap revealed that introducing Tm atom to Si cluster can improve photochemical reactivity of the cluster. The NPA analyses indicated that the 4f electron of Tm atom in TmSi n (n = 3-10) and their anions do not participate in bonding. The total magnetic moments of TmSi n are mainly provided by the 4f electrons of Tm atom. The dissociation energy of Tm atom from the most stable structure of TmSi n and their anions has been calculated to examine relative stability.

Effects of distraction on magnetoencephalographic responses ascending through C-fibers in humans.

PubMed

Qiu, Yunhai; Inui, Koji; Wang, Xiaohong; Nguyen, Binh Thi; Tran, Tuan Diep; Kakigi, Ryusuke

2004-03-01

Using magnetoencephalography (MEG), we evaluated the cerebral regions relating to second pain perception ascending through C-fibers and investigated the effect of distraction on each region. Thirteen normal subjects participated in this study. CO2 laser pulses were delivered to the dorsum of the left hand to selectively activate C-fibers. The MEG responses were analyzed using a multi-dipole model. (1) primary somatosensory cortex (SI), and (2) secondary somatosensory cortex (SII)--insula were the main generators for the primary component, 1M, whose mean peak latency was 744 ms. In addition to (1) and (2), (3) cingulate cortex and (4) medial temporal area (MT) were also activated for the subsequent component, 2M, whose mean peak latency was 947 ms. During a mental calculation task (Distraction), all 6 sources were significantly reduced in amplitude, but the SII-insula (P < 0.01) and cingulate cortex (P < 0.001) were more sensitive than the SI (P < 0.05) and MT (P < 0.05). We confirmed that SI in the contralateral hemisphere and SII-insula, cingulate cortex and MT in bilateral hemispheres play a major role in second pain perception, and all sites were much affected by a change of attention, indicating that these regions are related to the cognitive aspect of second pain perception. The SI, SII, cingulate and MT were activated during the C-fiber-related MEG response, and responses in these regions were significantly diminished during mental distraction.

Silica nanoparticles capture atmospheric lead: implications in the treatment of environmental heavy metal pollution.

PubMed

Yang, Xifei; Shen, Zhiguo; Zhang, Bing; Yang, Jianping; Hong, Wen-Xu; Zhuang, Zhixiong; Liu, Jianjun

2013-01-01

Lead (Pb) contamination in the air is a severe global problem, most notably in China. Removal of Pb from polluted air remains a significant challenge. It is unclear what potential effects silica nanoparticles (SiNPs) exposure can have on atmospheric Pb. Here we first characterized the features of SiNPs by measuring the particle size, zeta potential and the specific surface area of SiO(2) particles using a Nicomp 380/ZLS submicron particle sizer, the Brunauer-Emmett-Teller (BET) method and transmission electronic microscopy (TEM). We measured the content of the metal Pb adsorbed by SiNPs exposed to two Pb polluted electric battery plants using inductively coupled plasma mass spectrometry (ICP-MS). It is found that SiNPs exposed to two Pb polluted electric battery plants absorb more atmospheric Pb compared to either blank control or micro-sized SiO(2) particles in a time-dependent manner. This is the first study demonstrating that SiNPs exposure can absorb atmospheric Pb in the polluted environment. These novel findings indicate that SiNPs have potential to serve as a significant adsorbent of Pb from industrial pollution, implicating a potentially novel application of SiNPs in the treatment of environmental heavy metal pollution. Copyright © 2012 Elsevier Ltd. All rights reserved.

Study of the correlation properties of the surface structure of nc-Si/a-Si:H films with different fractions of the crystalline phase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alpatov, A. V., E-mail: pgnv@mail.ru; Vikhrov, S. P.; Kazanskii, A. G.

The correlation properties of the structure of nc-Si/a-Si:H films with different volume fractions of the crystalline phase are studied using 2D detrended fluctuation analysis. Study of the surface relief of experimental samples showed that with increasing in volume fraction of the crystalline phase in the nc-Si/a-Si:H films, the size and number of nanoclusters on their surface grow. The size of Si nanocrystals in the a-Si:H matrix (6–8 nm) indicates the formation of coarse nanoclusters due to the self-organization of Si nanocrystals in groups under laser radiation. According to 2D detrended fluctuation analysis data, the number of correlation vectors (harmonic components)more » in the nc-Si/a-Si:H film structure increased with an increase in the nanocrystal fraction in the films.« less

Structural variations and dielectric properties of (Bi1-xL ax ) 2Si O5 (0 ≤x ≤0.1 ): Polycrystallines synthesized by crystallization of Bi-Si-O and Bi-La-Si-O glasses

NASA Astrophysics Data System (ADS)

Taniguchi, Hiroki; Tatewaki, Shingo; Yasui, Shintaro; Fujii, Yasuhiro; Yamaura, Jun-ichi; Terasaki, Ichiro

2018-04-01

This paper focuses on effects of isovalent La substitution on the crystal structure and dielectric properties of ferroelectric B i2Si O5 . Polycrystalline samples of (Bi1-xL ax ) 2Si O5 are synthesized by crystallization of Bi-Si-O and Bi-La-Si-O glasses with a composition range of 0 ≤x ≤0.1 . The crystal structure changes from monoclinic to tetragonal with increasing La-substitution rate x at room temperature. This structural variation stems from the change in orientation of Si O4 tetrahedra that form one-dimensional chains when they are in the ordered configuration, thus suggesting that lone-pair electrons play an important role in sustaining one-dimensional chains of Si O4 tetrahedra. Synchronizing with the disordering of Si O4 chains, ferroelectric phase transition temperature of (Bi1-xL ax ) 2Si O5 sharply decreases as x increases, and ferroelectricity finally vanishes at around x =0.03 . The present results demonstrate that lone-pair electrons of Bi play an important role in the ferroelectricity of B i2Si O5 through propping the ordered structure of one-dimensional Si O4 chains with stereochemical activity. Furthermore, an additional phase transition has been first discovered in the low-temperature region of (Bi1-xL ax ) 2Si O5 with x ≤0.01 , where the ordered one-dimensional Si O4 chains remain.

Structure, mechanical and tribological properties of TiSiC films deposited by magnetron sputtering segment target

NASA Astrophysics Data System (ADS)

Jiang, Jinlong; He, Kaichen; He, XingXing; Huang, Hao; Pang, Xianjuan; Wei, Zhiqiang

2017-12-01

In this work, the TiSiC films were deposited by magnetron sputtering segment target with various areal ratio of Ti80Si20 to C. The effects of segment target component on the structure, mechanical and tribological properties of the films were investigated. The results revealed that the deposited films exhibited a structural transform from a cubic TiC structure to a nanocomposite structure with nanocrystalline TiC in a-C:Si matrix, and finally x-ray amorphous structures with decreasing areal ratio of Ti80Si20 to C. The TiSiC film deposited at the Ti80Si20:C areal ratio of 7:7 showed superior mechanical and tribological properties such as high hardness (18.6 Gpa), good scratch resistant (46 N), low friction coefficient (0.2) and low wear rate (8.6  ×  10-7 mm3 Nm-1), which suggests that it is a promising candidate for the protective films.

Silicon Isotope Variations in Giant Spicules of the Deep-sea Sponge Monorhaphis chuni

NASA Astrophysics Data System (ADS)

Jochum, K. P.; Schuessler, J. A.; Wang, X.; Müller, W. E.; Andreae, M. O.

2012-12-01

The astonishing longevity of the deep-sea sponge Monorhaphis chuni and the stability of their spicules (Wang et al. 2009) provide the potential that single giant basal spicules can be used as paleoenvironmental archives spanning the entire Holocene (Jochum et al. 2012). According to Wille et al. (2010), the Si isotope fractionation is influenced by seawater Si concentration with lower values associated with sponges collected from waters high in Si. In order to track possible secular variations during the last 10000 years in the deep sea, we have therefore determined Si isotope ratios and trace element ratios along center-to-surface sections at a high resolution by femtosecond LA-(MC)-ICP-MS. Samples came from different locations of the East and South China Sea as well as the South Pacific Ocean (near New Caledonia) and were collected at depths between 1100 m and 2100 m. The external reproducibility of the fs LA-(MC)-ICP-MS method was found to be 0.14 ‰ and 0.27 ‰ (2 SD) for δ29Si and δ30Si, respectively. The relative uncertainty on trace element abundance ratios, such as Mg/Ca, is about 5 % (RSD). Significant variations in Si isotope ratios were observed in the giant spicules Q-B and SCS-4 from the East and South China Sea, respectively. The δ30Si values for the largest spicule collected so far (SCS-4, 2.5 m long) from a depth of 2100 m in the South China Sea, span a large range from -1.9 to -3.7 ‰. No obvious trend in Si isotope variability outside external reproducibility could be identified in smaller and presumably younger spicules; average δ30Si values of 4 different segments of the spicule MC from the South China Sea are about -1.3 ‰. Low δ30Si values of about -0.88 ‰ are found in the giant spicule V from the South Pacific. Mg/Ca ratios of most spicules show small, but significant trends from higher values at the rim to lower values in the core, which can be interpreted as an increase in seawater temperature of several degrees Celsius during the lifespan of the sponges. The different Si isotopic compositions in the deep sea may be caused by regional and vertical differences of dissolved Si controlled by biological productivity and ocean circulation. Submarine weathering at sea floor hydrothermal areas provides additional silicic acid in the deep reservoir. Jochum et al. (2012), Chem. Geol. 300-301, 143-151 Wang et al. (2009), Int. Rev. Cell. Mol. Biol. 273, 69-115 Wille et al. (2010), Earth Planet. Sci. Lett. 292, 281-289

Nondestructive characterization of textured a-Si:H/c-Si heterojunction solar cell structures with nanometer-scale a-Si:H and In2O3:Sn layers by spectroscopic ellipsometry

NASA Astrophysics Data System (ADS)

Matsuki, Nobuyuki; Fujiwara, Hiroyuki

2013-07-01

Nanometer-scale hydrogenated amorphous silicon (a-Si:H) layers formed on crystalline silicon (c-Si) with pyramid-shaped textures have been characterized by spectroscopic ellipsometry (SE) using a tilt angle measurement configuration, in an attempt to establish a nondestructive method for the structural characterization of the a-Si:H/c-Si heterojunction solar cells. By applying an a-Si:H dielectric function model developed recently, the thickness and SiH2 content of the a-Si:H layer have been determined even on the textured substrates. Furthermore, from the SE analysis incorporating the Drude model, the carrier properties of the In2O3:Sn layers in the textured solar-cell structure have been characterized.

Ab initio density functional theory study on the atomic and electronic structure of GaP/Si(001) heterointerfaces

NASA Astrophysics Data System (ADS)

Romanyuk, O.; Supplie, O.; Susi, T.; May, M. M.; Hannappel, T.

2016-10-01

The atomic and electronic band structures of GaP/Si(001) heterointerfaces were investigated by ab initio density functional theory calculations. Relative total energies of abrupt interfaces and mixed interfaces with Si substitutional sites within a few GaP layers were derived. It was found that Si diffusion into GaP layers above the first interface layer is energetically unfavorable. An interface with Si/Ga substitution sites in the first layer above the Si substrate is energetically the most stable one in thermodynamic equilibrium. The electronic band structure of the epitaxial GaP/Si(001) heterostructure terminated by the (2 ×2 ) surface reconstruction consists of surface and interface electronic states in the common band gap of two semiconductors. The dispersion of the states is anisotropic and differs for the abrupt Si-Ga, Si-P, and mixed interfaces. Ga 2 p , P 2 p , and Si 2 p core-level binding-energy shifts were computed for the abrupt and the lowest-energy heterointerface structures. Negative and positive core-level shifts due to heterovalent bonds at the interface are predicted for the abrupt Si-Ga and Si-P interfaces, respectively. The distinct features in the heterointerface electronic structure and in the core-level shifts open new perspectives in the experimental characterization of buried polar-on-nonpolar semiconductor heterointerfaces.

Structural and electronic properties of the transition layer at the SiO{sub 2}/4H-SiC interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Wenbo; Wang, Dejun, E-mail: dwang121@dlut.edu.cn; Zhao, Jijun

Using first-principles methods, we generate an amorphous SiO{sub 2}/4H-SiC interface with a transition layer. Based this interface model, we investigate the structural and electronic properties of the interfacial transition layer. The calculated Si 2p core-level shifts for this interface are comparable to the experimental data, indicating that various SiC{sub x}O{sub y} species should be present in this interface transition layer. The analysis of the electronic structures reveals that the tetrahedral SiC{sub x}O{sub y} structures cannot introduce any of the defect states at the interface. Interestingly, our transition layer also includes a C-C=C trimer and SiO{sub 5} configurations, which lead tomore » the generation of interface states. The accurate positions of Kohn-Sham energy levels associated with these defects are further calculated within the hybrid functional scheme. The Kohn-Sham energy levels of the carbon trimer and SiO{sub 5} configurations are located near the conduction and valence band of bulk 4H-SiC, respectively. The result indicates that the carbon trimer occurred in the transition layer may be a possible origin of near interface traps. These findings provide novel insight into the structural and electronic properties of the realistic SiO{sub 2}/SiC interface.« less

Silicon and Ge in the deep sea deduced from Si isotope and Ge measurements in giant glass sponges

NASA Astrophysics Data System (ADS)

Jochum, K. P.; Schuessler, J. A.; Haug, G. H.; Andreae, M. O.; Froelich, P. N.

2016-12-01

Biogenic silica, such as giant glass spicules of the deep-sea sponge Monorhaphis chuni, is an archive to monitor paleo-Si and -Ge in past seawater. Here we report on Si isotopes and Ge/Si ratios in up to 2.7 m long spicules using LA-(MC)-ICP-MS. Isotope ratios of Si are suitable proxies for Si concentrations in seawater, because Si isotope fractionation into biogenic silica is a function of seawater dissolved Si concentration. The δ30Si values for our specimens range from about - 0.5 ‰ to - 3.6 ‰ and are much lower than modern (>1000 m) seawater δ30Si of about 1.3 ‰. Interestingly, there is a systematic Si isotopic and Ge variation from the rim to the center of the cross sections, which we interpret as seawater paleo-Si and -Ge changes. The lifetime of the giant sponges appears to be between about 6 and 14 ka. These age estimates were obtained by comparing our analytical data with various paleo-markers of the glacial-interglacial termination. Thus, the entire Holocene and the end of the last glacial period are contained in the oldest giant spicules. The derived Si and Ge seawater concentrations are ca. 12 % higher and 20 % lower, respectively, during the late glacial than at present. Possible explanations for changing Si, Ge and Ge/Si during the deglaciation could be changes in riverine, glacial, and/or eolian deliveries of silica to the oceans and changes in marine sedimentary reverse weathering, which removes Ge into marine sediments during opal dissolution and diagenesis.

XPS studies of structure-induced radiation effects at the Si/SiO2 interface. [X ray Photoelectron Spectroscopy

NASA Technical Reports Server (NTRS)

Grunthaner, F. J.; Lewis, B. F.; Zamini, N.; Maserjian, J.; Madhukar, A.

1980-01-01

The interfacial structures of radiation hard and soft oxides grown by dry and wet processes on silicon substrates have been examined by high-resolution X-ray photoelectron spectroscopy. It is found that the primary difference in the local atomic structure at the Si/SiO2 interface is the significantly higher concentration of strained 120 deg SiO2 bonds and SiO interfacial species in soft samples. Results of in situ radiation damage experiments using low energy electrons (0-20 eV) are reported which correlate with the presence of a strained layer of SiO2 (20 A) at the interface. The results are interpreted in terms of a structural model for hole and electron trap generation by ionizing radiation.

Mass Spectrometry Combinations for Structural Characterization of Sulfated-Steroid Metabolites

NASA Astrophysics Data System (ADS)

Yan, Yuetian; Rempel, Don L.; Holy, Timothy E.; Gross, Michael L.

2014-05-01

Steroid conjugates, which often occur as metabolites, are challenging to characterize. One application is female-mouse urine, where steroid conjugates serve as important ligands for the pheromone-sensing neurons. Although the two with the highest abundance in mouse urine were previously characterized with mass spectrometry (MS) and NMR to be sulfated steroids, many more exist but remain structurally unresolved. Given that their physical and chemical properties are similar, they are likely to have a sulfated steroid ring structure. Because these compounds occur in trace amounts in mouse urine and elsewhere, their characterization by NMR will be difficult. Thus, MS methods become the primary approach for determining structure. Here, we show that a combination of MS tools is effective for determining the structures of sulfated steroids. Using 4-pregnene analogs, we explored high-resolving power MS (HR-MS) to determine chemical formulae; HD exchange MS (HDX-MS) to determine number of active, exchangeable hydrogens (e.g., OH groups); methoxyamine hydrochloride (MOX) derivatization MS, or reactive desorption electrospray ionization with hydroxylamine to determine the number of carbonyl groups; and tandem MS (MSn), high-resolution tandem MS (HRMS/MS), and GC-MS to obtain structural details of the steroid ring. From the fragmentation studies, we deduced three major fragmentation rules for this class of sulfated steroids. We also show that a combined MS approach is effective for determining structure of steroid metabolites, with important implications for targeted metabolomics in general and for the study of mouse social communication in particular.

Mass spectrometry combinations for structural characterization of sulfated-steroid metabolites

PubMed Central

Yan, Yuetian; Rempel, Don; Holy, Timothy E.; Gross, Michael L.

2015-01-01

Steroid conjugates, which often occur as metabolites, are challenging to characterize. One application is female-mouse urine, where steroid conjugates serve as important ligands for the pheromone-sensing neurons. Although the two with the highest abundance in mouse urine were previously characterized with mass spectrometry (MS) and NMR to be sulfated steroids, many more exist but remain structurally unresolved. Given that their physical and chemical properties are similar, they are likely to have a sulfated steroid ring structure. Because these compounds occur in trace amounts in mouse urine and elsewhere, their characterization by NMR will be difficult. Thus, MS methods become the primary approach for determining structure. Here, we show that a combination of MS tools is effective for determining the structures of sulfated steroids. Using 4-pregnene analogs, we explored high-resolving power MS (HR-MS) to determine chemical formulae; HD exchange MS (HDX-MS) to determine number of active, exchangeable hydrogens (e.g., OH groups); methoxyamine hydrochloride (MOX) derivatization MS, or reactive desorption electrospray ionization with hydroxylamine to determine the number of carbonyl groups; and tandem MS (MSn), high-resolution tandem MS (HRMS/MS), and GC-MS to obtain structural details of the steroid ring. From the fragmentation studies, we deduced three major fragmentation rules for this class of sulfated steroids. We also show that a combined MS approach is effective for determining structure of steroid metabolites, with important implications for targeted metabolomics in general and for the study of mouse social communication in particular. PMID:24658800

Theoretical prediction of novel ultrafine nanowires formed by Si12C12 cage-like clusters

NASA Astrophysics Data System (ADS)

Yong, Yongliang; Song, Bin; He, Pimo

2014-02-01

Using density functional theory calculations, we predict that novel SiC ultrafine nanowires can be produced via the coalescence of stable Si12C12 clusters. For the isolated Si12C12 clusters, we find that the cage-like structure with a distinct segregation between Si and C atoms is energetically more favourable than the fullerene-like structure with alternating Si-C bonds. Via the coalescence of Si12C12 clusters, three novel stable nanowires have been characterised. The band structure reveals that these nanowires are semiconductors with narrow gap, indicating that they may be used as infrared detectors and thermoelectrics.

Thin film solar cells with Si nanocrystallites embedded in amorphous intrinsic layers by hot-wire chemical vapor deposition.

PubMed

Park, Seungil; Parida, Bhaskar; Kim, Keunjoo

2013-05-01

We investigated the thin film growths of hydrogenated silicon by hot-wire chemical vapor deposition with different flow rates of SiH4 and H2 mixture ambient and fabricated thin film solar cells by implementing the intrinsic layers to SiC/Si heterojunction p-i-n structures. The film samples showed the different infrared absorption spectra of 2,000 and 2,100 cm(-1), which are corresponding to the chemical bonds of SiH and SiH2, respectively. The a-Si:H sample with the relatively high silane concentration provides the absorption peak of SiH bond, but the microc-Si:H sample with the relatively low silane concentration provides the absorption peak of SiH2 bond as well as SiH bond. Furthermore, the microc-Si:H sample showed the Raman spectral shift of 520 cm(-1) for crystalline phase Si bonds as well as the 480 cm(-1) for the amorphous phase Si bonds. These bonding structures are very consistent with the further analysis of the long-wavelength photoconduction tail and the formation of nanocrystalline Si structures. The microc-Si:H thin film solar cell has the photovoltaic behavior of open circuit voltage similar to crystalline silicon thin film solar cell, indicating that microc-Si:H thin film with the mixed phase of amorphous and nanocrystalline structures show the carrier transportation through the channel of nanocrystallites.

Crystal structure and magnetism of the FexNi8-xSi3 materials, 0 ≤ x ≤ 8

NASA Astrophysics Data System (ADS)

Gallus, Simone; Haddouch, Mohammed Ait; Chikovani, Mamuka; Perßon, Jörg; Voigt, Jörg; Friese, Karen; Senyshyn, Anatoliy; Grzechnik, Andrzej

2018-02-01

The crystal structure and magnetic properties of the materials FexNi8-xSi3 with 0 ≤ x ≤ 8 have been investigated to estimate any possible magnetocaloric effect and compare it to that in known magnetocalorics. Two structural ranges could be identified in this system by X-ray and neutron diffraction. The structure of the samples with 0 ≤ x ≤ 4 is related to the trigonal structure of Ni31Si12. Doubled c lattice parameters compared to the one in Ni31Si12 are observed in the samples with x = 2 and x = 3. The average structure of Fe2Ni6Si3 has been determined by X-ray single-crystal diffraction. The compounds with the compositions 5 ≤ x ≤ 8 crystallize in cubic Fe3Si-type structure. Magnetic measurements have shown that the compound Fe3Ni5Si3 displays a phase transition close to room temperature. However, its magnetocaloric effect is much smaller than the one in the promising magnetocaloric materials.

Structural Feature Ions for Distinguishing N- and O-Linked Glycan Isomers by LC-ESI-IT MS/MS

NASA Astrophysics Data System (ADS)

Everest-Dass, Arun V.; Abrahams, Jodie L.; Kolarich, Daniel; Packer, Nicolle H.; Campbell, Matthew P.

2013-06-01

Glycomics is the comprehensive study of glycan expression in an organism, cell, or tissue that relies on effective analytical technologies to understand glycan structure-function relationships. Owing to the macro- and micro-heterogeneity of oligosaccharides, detailed structure characterization has required an orthogonal approach, such as a combination of specific exoglycosidase digestions, LC-MS/MS, and the development of bioinformatic resources to comprehensively profile a complex biological sample. Liquid chromatography-electrospray ionization-mass spectrometry (LC-ESI-MS/MS) has emerged as a key tool in the structural analysis of oligosaccharides because of its high sensitivity, resolution, and robustness. Here, we present a strategy that uses LC-ESI-MS/MS to characterize over 200 N- and O-glycans from human saliva glycoproteins, complemented by sequential exoglycosidase treatment, to further verify the annotated glycan structures. Fragment-specific substructure diagnostic ions were collated from an extensive screen of the literature available on the detailed structural characterization of oligosaccharides and, together with other specific glycan structure feature ions derived from cross-ring and glycosidic-linkage fragmentation, were used to characterize the glycans and differentiate isomers. The availability of such annotated mass spectrometric fragmentation spectral libraries of glycan structures, together with such substructure diagnostic ions, will be key inputs for the future development of the automated elucidation of oligosaccharide structures from MS/MS data.

Small-interfering RNA (siRNA)-based functional micro- and nanostructures for efficient and selective gene silencing.

PubMed

Lee, Soo Hyeon; Chung, Bong Hyun; Park, Tae Gwan; Nam, Yoon Sung; Mok, Hyejung

2012-07-17

Because of RNA's ability to encode structure and functional information, researchers have fabricated diverse geometric structures from this polymer at the micro- and nanoscale. With their tunable structures, rigidity, and biocompatibility, novel two-dimensional and three-dimensional RNA structures can serve as a fundamental platform for biomedical applications, including engineered tissues, biosensors, and drug delivery vehicles. The discovery of the potential of small-interfering RNA (siRNA) has underscored the applications of RNA-based micro- and nanostructures in medicine. Small-interfering RNA (siRNA), synthetic double-stranded RNA consisting of approximately 21 base pairs, suppresses problematic target genes in a sequence-specific manner via inherent RNA interference (RNAi) processing. As a result, siRNA offers a potential strategy for treatment of many human diseases. However, due to inefficient delivery to cells and off-target effects, the clinical application of therapeutic siRNA has been very challenging. To address these issues, researchers have studied a variety of nanocarrier systems for siRNA delivery. In this Account, we describe several strategies for efficient siRNA delivery and selective gene silencing. We took advantage of facile chemical conjugation and complementary hybridization to design novel siRNA-based micro- and nanostructures. Using chemical crosslinkers and hydrophobic/hydrophilic polymers at the end of siRNA, we produced various RNA-based structures, including siRNA block copolymers, micelles, linear siRNA homopolymers, and microhydrogels. Because of their increased charge density and flexibility compared with conventional siRNA, these micro- and nanostructures can form polyelectrolyte complexes with poorly charged and biocompatible cationic carriers that are both more condensed and more homogenous than the complexes formed in other carrier systems. In addition, the fabricated siRNA-based structures are linked by cleavable disulfide bonds for facile generation of original siRNA in the cytosol and for target-specific gene silencing. These newly developed siRNA-based structures greatly enhance intracellular uptake and gene silencing both in vitro and in vivo, making them promising biomaterials for siRNA therapeutics.

Characterization of Isomeric Glycans by Reversed Phase Liquid Chromatography-Electronic Excitation Dissociation Tandem Mass Spectrometry

NASA Astrophysics Data System (ADS)

Tang, Yang; Wei, Juan; Costello, Catherine E.; Lin, Cheng

2018-04-01

The occurrence of numerous structural isomers in glycans from biological sources presents a severe challenge for structural glycomics. The subtle differences among isomeric structures demand analytical methods that can provide structural details while working efficiently with on-line glycan separation methods. Although liquid chromatography-tandem mass spectrometry (LC-MS/MS) is a powerful tool for mixture analysis, the commonly utilized collision-induced dissociation (CID) method often does not generate a sufficient number of fragments at the MS2 level for comprehensive structural characterization. Here, we studied the electronic excitation dissociation (EED) behaviors of metal-adducted, permethylated glycans, and identified key spectral features that could facilitate both topology and linkage determinations. We developed an EED-based, nanoscale, reversed phase (RP)LC-MS/MS platform, and demonstrated its ability to achieve complete structural elucidation of up to five structural isomers in a single LC-MS/MS analysis. [Figure not available: see fulltext.

Effect of AZO deposition on antireflective property of Si subwavelength grating structures

NASA Astrophysics Data System (ADS)

Leem, J. W.; Song, Y. M.; Lee, Y. T.; Yu, J. S.

2011-12-01

We investigate the effect of the aluminum-doped zinc oxide (AZO) deposition on the fabricated Si SWG structure on its antireflection characteristics for solar cell applications. The Si SWGs with the two-dimensional periodic nanostructure are fabricated by using holographic lithography and subsequent ICP etching process in SiCl4 plasma. For the antireflection analysis of AZO thin-film on the Si SWG structure, the optical reflectivity is measured experimentally. The maxima reflectance and its oscillation of the structure are significantly decreased on average than those of AZO thin-film on Si substrate over a wide wavelength range of 300-1100 nm, indicating average reflectance less than 4.5% with the maxima of <10%.

Structural Studies of CH_3SiF_2-X (x = Nco, Cl) by Microwave Spectroscopy

NASA Astrophysics Data System (ADS)

Guirgis, Gamil A.; Gause, Korreda K.; Seifert, Nathan A.; Zaleski, Daniel P.; Pate, Brooks H.; Palmer, Michael H.; Peebles, Rebecca A.; Peebles, Sean A.; Elmuti, Lena F.; Obenchain, Daniel A.

2012-06-01

The structures of CH_3SiF_2-NCO and CH_3SiF_2-Cl have been studied by molecular rotational spectroscopy in the 6.5-18 GHz band. The rotational spectrum was measured by cavity Fourier transform microwave (FTMW) and chirped-pulse FTMW spectroscopy. The experiment targeted the study of CH_3SiF_2-NCO, but CH_3SiF_2-Cl was also observed as an impurity. Due to the dynamic range achieved on these spectra, all isotopologs with natural abundance ≥0.2% were assigned, which includes two doubly-substituted isotopologs for the chloride (29Si/37Cl and 30Si/37Cl). Strategies for obtaining the molecular structure for these two molecules using either a Kraitchman analysis (to obtain a partial substitution structure) or r_0 analysis (with additional constraints on the structure supplied by the theoretical structure) will be discussed. Derived structural parameters for the CH_3-SiF_2-X base structure are the same for the two compounds. The hyperfine and internal rotation effects in the spectra have been analyzed for all isotopologs and the Hamiltonian parameters are in very good agreement with ab initio results. The barriers to methyl group internal rotation for the two compounds 446(50) cm-1 and 463(3) cm-1 and are independent of the isotopic structure of the heavy atom frame.

On-Line 1D and 2D PLOT/LC-ESI-MS Using 10 μm i.d. Poly(styrene–divinylbenzene) Porous Layer Open Tubular (PLOT) Columns For Ultrasensitive Proteomic Analysis

PubMed Central

Luo, Quanzhou; Yue, Guihua; Valaskovic, Gary A; Gu, Ye; Wu, Shiaw-Lin; Karger, Barry L.

2008-01-01

Following on our recent work, on-line one dimensional (1D) and two dimensional (2D) PLOT/LC-ESI-MS platforms using 3.2 m × 10 μm i.d. poly(styrenedivinylbenzene) (PS-DVB) porous layer open tubular (PLOT) columns have been developed to provide robust, high performance and ultrasensitive proteomic analysis. Using a PicoClear tee, the dead volume connection between a 50 μm i.d. PS-DVB monolithic microSPE column and the PLOT column was minimized. The microSPE/PLOT column assembly provided a separation performance similar to that obtained with direct injection onto the PLOT column at a mobile phase flow rate of 20 nL/min. The trace analysis potential of the platform was evaluated using an in-gel tryptic digest sample of a gel fraction (15 to 40 kDa) of a cervical cancer (SiHa) cell line. As an example of the sensitivity of the system, ∼2.5 ng of protein in 2 μL solution, an amount corresponding to 20 SiHa cells, was subjected to on-line microSPE-PLOT/LC-ESIMS/MS analysis using a linear ion trap MS. 237 peptides associated with 163 unique proteins were identified from a single analysis when using stringent criteria associated with a false positive rate less than 1% . The number of identified peptides and proteins increased to 638 and 343, respectively, as the injection amount was raised to ∼45 ng of protein, an amount corresponding to 350 SiHa cells. In comparison, only 338 peptides and 231 unique proteins were identified (false positive rate again less than 1%) from 750 ng of protein from the identical gel fraction, an amount corresponding to 6000 SiHa cells, using a typical 15 cm × 75 μm i.d. packed capillary column. The greater sensitivity, higher recovery, and higher resolving power of the PLOT column resulted in the increased number of identifications from only ∼5% of the injected sample amount. The resolving power of the microSPE/PLOT assembly was further extended by 2D chromatography via combination of the high-efficiency reversed phase PLOT column with strong cation exchange chromatography (SCX). As an example, 1071 peptides associated with 536 unique proteins were identified from 75 ng of protein from the same gel fraction, an amount corresponding to 600 cells, using 5 ion exchange fractions in online 2D SCX-PLOT/LC-MS. The 2D system, implemented in an automated format, led to simple and robust operation for proteomic analysis. These promising results demonstrate the potential of the PLOT column for ultratrace analysis. PMID:17625912

Electrochemical Properties of Si Film Electrodes Containing TiNi Thin-Film Current Collectors

NASA Astrophysics Data System (ADS)

Im, Yeon-min; Noh, Jung-pil; Cho, Gyu-bong; Nam, Tea-hyun

2018-03-01

A 50.3Ti-49.7Ni thin film fabricated by DC sputtering was employed as a current collector of Si film electrode. The structural and electrochemical properties of Si/TiNi film electrode were compared with those of a Si/Cu film electrode. The TiNi film with cluster-like structures composed of B2 austenitic phase at room temperature displayed the high electrochemical stability for Li ions. The amorphous Si film deposited on the TiNi film also consisted of cluster-like structures on the surface. The Si film grown on the TiNi film current collector (Si/TiNi electrode) demonstrated a high columbic efficiency of 87% at the first cycle (363 μAh/cm2 of charge capacity and 314 μAh/cm2 of discharge capacity). The Si/TiNi electrode exhibited better electrochemical properties in terms of capacity, cycle performance, and structural stability compared to the Si electrode with a conventional Cu foil current collector.

Synthesis, characterization and luminescence of europium perchlorate with MABA-Si complex and coating structure SiO2 @Eu(MABA-Si) luminescence nanoparticles.

PubMed

Fu, Zhi-Fang; Li, Wen-Xian; Bai, Juan; Bao, Jin-Rong; Cao, Xiao-Fang; Zheng, Yu-Shan

2017-05-01

This article reports a novel category of coating structure SiO 2 @Eu(MABA-Si) luminescence nanoparticles (NPs) consisting of a unique organic shell, composed of perchlorate europium(III) complex, and an inorganic core, composed of silica. The binary complex Eu(MABA-Si) 3 ·(ClO 4 ) 3 ·5H 2 O was synthesized using HOOCC 6 H 4 N(CONH(CH 2 ) 3 Si(OCH 2 CH 3 ) 3 ) 2 (MABA-Si) and was used as a ligand. Furthermore, the as-prepared silica NPs were successfully coated with the -Si(OCH 2 CH 3 ) 3 group of MABA-Si to form Si-O-Si chemical bonds by means of the hydrolyzation of MABA-Si. The binary complexes were characterized by elemental analysis, molar conductivity and coordination titration analysis. The results indicated that the composition of the binary complex was Eu(MABA-Si) 3 ·(ClO 4 ) 3 ·5H 2 O. Coating structure SiO 2 @Eu(MABA-Si) NPs were characterized using transmission electron microscopy (TEM), scanning electron microscopy (SEM) and infrared (IR) spectra. Based on the SEM and TEM measurements, the diameter of core-SiO 2 particles was ~400 and 600 nm, and the thickness of the cladding layer Eu(MABA-Si) was ~20 nm. In the binary complex Eu(MABA-Si) 3 ·(ClO 4 ) 3 ·5H 2 O, the fluorescence spectra illustrated that the energy of the ligand MABA-Si transferred to the energy level for the excitation state of europium(III) ion. Coating structure SiO 2 @Eu(MABA-Si) NPs exhibited intense red luminescence compared with the binary complex. The fluorescence lifetime and fluorescence quantum efficiency of the binary complex and of the coating structure NPs were also calculated. The way in which the size of core-SiO 2 spheres influences the luminescence was also studied. Moreover, the luminescent mechanisms of the complex were studied and explained. Copyright © 2016 John Wiley & Sons, Ltd.

New tetragonal derivatives of cubic NaZn13-type structure: RNi6Si6 compounds, crystal structure and magnetic ordering (R=Y, La, Ce, Sm, Gd-Yb)

NASA Astrophysics Data System (ADS)

Pani, M.; Manfrinetti, P.; Provino, A.; Yuan, Fang; Mozharivskyj, Y.; Morozkin, A. V.; Knotko, A. V.; Garshev, A. V.; Yapaskurt, V. O.; Isnard, O.

2014-02-01

Novel RNi6Si6 compounds adopt the new CeNi6Si6-type structure for R=La-Ce (tP52, space group P4/nbm N 125-1) and new YNi6Si6-type structure for R=Y, Sm, Gd-Yb (tP52, space group P4barb2N 117) that are tetragonal derivative of NaZn13-type structure, like LaCo9Si4-type. The CeNi6Si6, GdNi6Si6, TbNi6Si6, DyNi6Si6 and HoNi6Si6 compounds are Curie-Weiss paramagnets down to ~30 K, and do not order magnetically down to 5 K. However, the inverse paramagnetic susceptibility of LaNi6Si6 does not follow Curie-Weiss law. The DyNi6Si6 shows ferromagnetic-like saturation behaviour at 5 K in applied fields of 50 kOe, giving rise to a magnetic moment value of 6.5 μB/f.u. in 50 kOe. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi6Si6 with K=[±1/4, ±1/4, 0] wave vector below ~10 K. The CeNi6Si6, GdNi6Si6, TbNi6Si6, DyNi6Si6 and HoNi6Si6 compounds are Curie-Weiss paramagnets down to ~30 K, and do not order magnetically down to 4.2 K. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi6Si6 with K=[±1/4, ±1/4, 0] wave vector below ~10 K.

Gas Chromatography-Tandem Mass Spectrometry of Lignin Pyrolyzates with Dopant-Assisted Atmospheric Pressure Chemical Ionization and Molecular Structure Search with CSI:FingerID

NASA Astrophysics Data System (ADS)

Larson, Evan A.; Hutchinson, Carolyn P.; Lee, Young Jin

2018-06-01

Dopant-assisted atmospheric pressure chemical ionization (dAPCI) is a soft ionization method rarely used for gas chromatography-mass spectrometry (GC-MS). The current study combines GC-dAPCI with tandem mass spectrometry (MS/MS) for analysis of a complex mixture such as lignin pyrolysis analysis. To identify the structures of volatile lignin pyrolysis products, collision-induced dissociation (CID) MS/MS using a quadrupole time-of-flight mass spectrometer (QTOFMS) and pseudo MS/MS through in-source collision-induced dissociation (ISCID) using a single stage TOFMS are utilized. To overcome the lack of MS/MS database, Compound Structure Identification (CSI):FingerID is used to interpret CID spectra and predict best matched structures from PubChem library. With this approach, a total of 59 compounds were positively identified in comparison to only 22 in NIST database search of GC-EI-MS dataset. This study demonstrates the effectiveness of GC-dAPCI-MS/MS to overcome the limitations of traditional GC-EI-MS analysis when EI-MS database is not sufficient. [Figure not available: see fulltext.

X-Ray Photoelectron Spectroscopy Study of the Heating Effects on Pd/6H-SiC Schottky Structure

NASA Technical Reports Server (NTRS)

Chen, Liang-Yu; Hunter, Gary W.; Neudeck, Philip G.; Knight, Dak

1998-01-01

X-ray photoelectron spectroscopy is used to study the effects of heat treatment on the Pd/6H-SiC Schottky diode structure. After heating the structure at 425 C for 140 h, a very thin surface layer of PdO mixed with SiO(x) formed on the palladium surface of the Schottky structure. Heat treatment promoted interfacial diffusion and reaction which significantly broadened the interfacial region. In the interfacial region, the palladium concentration decreases with depth, and the interfacial products are Pd(x)Si (x = 1,2,3,4). In the high Pd concentration regions, Pd4Si is the major silicide component while gr and Pd2Si are major components in the low Pd concentration region. At the center of the interface, where the total palladium concentration equals that of silicon, the concentrations of palladium associated with various palladium silicides (Pd(x)Si, x= 1,2,3,4) are approximately equal. The surface passivation layer composed of PdO and SiO, may significantly affect the electronic and catalytic properties of the surface of the Schottky diode which plays a major role in gas detection. The electronic properties of the Schottky structure may be dominated by a (Pd+Pd(x)Si)/SiC interface. In order to stabilize the properties of the Schottky structure the surface and interface diffusion and reactions must be controlled.

Effect of Y addition on crystallization behavior and soft-magnetic properties of Fe78Si9B13 ribbons

NASA Astrophysics Data System (ADS)

Zhanwei, Liu; Dunbo, Yu; Kuoshe, Li; Yang, Luo; Chao, Yuan; Zilong, Wang; Liang, Sun; Kuo, Men

2017-08-01

A series of amorphous Fe-Si-B ribbons with various Y addition were prepared by melt-spinning. The effect of Y addition on crystallization behavior, thermal and magnetic properties was systematically investigated. With the increase of Y content, the initial crystallization temperature shifted to a higher temperature, indicating that the thermal stability of amorphous state in Fe-Si-B-Y ribbon is enhanced compared to that of Fe-Si-B alloy. Meanwhile, compared to the two exothermic peaks in the samples with lower Y content, a new exothermic peak was found in the ribbons with Y content higher than 1 at%, which corresponded to the decomposition of metastable Fe3B phase. Among all the alloys, Fe76.5Si9B13Y1.5 alloy exhibits optimized magnetic properties, with high saturation magnetization Ms of 187 emu/g and low coercivity HcJ of 7.6 A/m.

Time constant of defect relaxation in ion-irradiated 3C-SiC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wallace, J. B.; Department of Nuclear Engineering, Texas A and M University, College Station, Texas 77843; Bayu Aji, L. B.

Above room temperature, the buildup of radiation damage in SiC is a dynamic process governed by the mobility and interaction of ballistically generated point defects. Here, we study the dynamics of radiation defects in 3C-SiC bombarded at 100 °C with 500 keV Ar ions, with the total ion dose split into a train of equal pulses. Damage–depth profiles are measured by ion channeling for a series of samples irradiated under identical conditions except for different durations of the passive part of the beam cycle. Results reveal an effective defect relaxation time constant of ∼3 ms (for second order kinetics) and a dynamicmore » annealing efficiency of ∼40% for defects in both Si and C sublattices. This demonstrates a crucial role of dynamic annealing at elevated temperatures and provides evidence of the strong coupling of defect accumulation processes in the two sublattices of 3C-SiC.« less

Time constant of defect relaxation in ion-irradiated 3 C-SiC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wallace, J. B.; Bayu Aji, L. B.; Shao, L.

Above room temperature, the buildup of radiation damage in SiC is a dynamic process governed by the mobility and interaction of ballistically generated point defects. Here in this work, we study the dynamics of radiation defects in 3C-SiC bombarded at 100 °C with 500 keV Ar ions, with the total ion dose split into a train of equal pulses. Damage–depth profiles are measured by ion channeling for a series of samples irradiated under identical conditions except for different durations of the passive part of the beam cycle. Results reveal an effective defect relaxation time constant of ~3 ms (for secondmore » order kinetics) and a dynamic annealing efficiency of ~40% for defects in both Si and C sublattices. Finally, this demonstrates a crucial role of dynamic annealing at elevated temperatures and provides evidence of the strong coupling of defect accumulation processes in the two sublattices of 3C-SiC.« less

Void Formation/Elimination and Viscoelastic Response of Polyphenylsilsesquioxane Monolith.

PubMed

Daiko, Yusuke; Oda, Yuki; Honda, Sawao; Iwamoto, Yuji

2018-05-19

Polyphenylsilsesquioxane (PhSiO 3/2 ) particles as an organic-inorganic hybrid were prepared using sol-gel method, and monolithic samples were obtained via a warm-pressing. The reaction mechanism of particles' polymerization and transformation to the monolith under the warm-press were investigated using solid state 29 Si nuclear magnetic resonance (NMR) spectrometer, thermal gravimetric-differential thermal analyzer (TG-DTA), mass spectrometer (MS) and scanning electron microscope (SEM). Transparent and void-free monoliths are successfully obtained by warm-pressing above 180 °C. Both the terminal ⁻OH groups on particles' surface and warm-pressing are necessary for preparation of void-free PhSiO 3/2 monolith. From the load-displacement measurement at various temperatures, a viscoelastic deformation is seen for PhSiO 3/2 monolith with voids. On the other hand, an elastic deformation is seen for void-free PhSiO 3/2 monolith, and the void-free monolith shows much higher breakdown voltage.

Comprehensive identification and structural characterization of target components from Gelsemium elegans by high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry based on accurate mass databases combined with MS/MS spectra.

PubMed

Liu, Yan-Chun; Xiao, Sa; Yang, Kun; Ling, Li; Sun, Zhi-Liang; Liu, Zhao-Ying

2017-06-01

This study reports an applicable analytical strategy of comprehensive identification and structure characterization of target components from Gelsemium elegans by using high-performance liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QqTOF MS) based on the use of accurate mass databases combined with MS/MS spectra. The databases created included accurate masses and elemental compositions of 204 components from Gelsemium and their structural data. The accurate MS and MS/MS spectra were acquired through data-dependent auto MS/MS mode followed by an extraction of the potential compounds from the LC-QqTOF MS raw data of the sample. The same was matched using the databases to search for targeted components in the sample. The structures for detected components were tentatively characterized by manually interpreting the accurate MS/MS spectra for the first time. A total of 57 components have been successfully detected and structurally characterized from the crude extracts of G. elegans, but has failed to differentiate some isomers. This analytical strategy is generic and efficient, avoids isolation and purification procedures, enables a comprehensive structure characterization of target components of Gelsemium and would be widely applicable for complicated mixtures that are derived from Gelsemium preparations. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

Effect of the nand p-type Si(100) substrates with a SiC buffer layer on the growth mechanism and structure of epitaxial layers of semipolar AlN and GaN

NASA Astrophysics Data System (ADS)

Bessolov, V. N.; Grashchenko, A. S.; Konenkova, E. V.; Myasoedov, A. V.; Osipov, A. V.; Red'kov, A. V.; Rodin, S. N.; Rubets, V. P.; Kukushkin, S. A.

2015-10-01

A new effect of the n-and p-type doping of the Si(100) substrate with a SiC film on the growth mechanism and structure of AlN and GaN epitaxial layers has been revealed. It has been experimentally shown that the mechanism of AlN and GaN layer growth on the surface of a SiC layer synthesized by substituting atoms on n- and p-Si substrates is fundamentally different. It has been found that semipolar AlN and GaN layers on the SiC/Si(100) surface grow in the epitaxial and polycrystalline structures on p-Si and n-Si substrates, respectively. A new method for synthesizing epitaxial semipolar AlN and GaN layers by chloride-hydride epitaxy on silicon substrates has been proposed.

Preparation and evaluation of silicon nitride matrices for silicon nitride-SiC fiber composites. M.S. Thesis Final Technical Report

NASA Technical Reports Server (NTRS)

Axelson, Scott R.

1988-01-01

Continuous silicon carbide (SiC) fiber was added to three types of silicon nitride (Si3N4) matrices. Efforts were aimed at producing a dense Si3N4 matrix from reaction-bonded silicon nitride (RBSN) by hot-isostatic-pressing (HIP) and pressureless sintering, and from Si3N4 powder by hot-pressing. The sintering additives utilized were chosen to allow for densification, while not causing severe degradation of the fiber. The ceramic microstructures were evaluated using scanning optical microscopy. Vickers indentation was used to determine the microhardness and fracture toughness values of the matrices. The RBSN matrices in this study did not reach more than 80 percent of theoretical density after sintering at various temperatures, pressures, and additive levels. Hot-pressing Si3N4 powder produced the highest density matrices; hardness and toughness values were within an order of magnitude of the best literature values. The best sintering aid composition chosen included Y2O3, SiO2, and Al2O3 or AlN. Photomicrographs demonstrate a significant reduction of fiber attack by this additive composition.

Density-functional study of the structures and properties of holmium-doped silicon clusters HoSi n (n = 3-9) and their anions.

PubMed

Hou, Liyuan; Yang, Jucai; Liu, Yuming

2017-04-01

The structures and properties of Ho-doped Si clusters, including their adiabatic electron affinities (AEAs), simulated photoelectron spectra (PESs), stabilities, magnetic moments, and charge-transfer characteristics, were systematically investigated using four density-functional methods. The results show that the double-hybrid functional (which includes an MP2 correlation component) can accurately predict the ground-state structure and properties of Ho-doped Si clusters. The ground-state structures of HoSi n (n = 3-9) are sextuplet electronic states. The structures of these Ho-doped Si clusters (aside from HoSi 7 ) are substitutional. The ground-state structures of HoSi n - are quintuplet electronic states. Their predicted AEAs are in excellent agreement with the experimental ones. The mean absolute error in the theoretical AEAs of HoSi n (n = 4-9) is only 0.04 eV. The simulated PESs for HoSi n - (n = 5-9) are in good agreement with the experimental PESs. Based on its simulated PES and theoretical AEA, we reassigned the experimental PES of HoSi 4 - and obtained an experimental AEA of 2.2 ± 0.1 eV. The dissociation energies of Ho from HoSi n and HoSi n - (n = 3-9) were evaluated to test the relative stabilities of the clusters. HOMO-LUMO gap analysis indicated that doping the Si clusters with the rare-earth metal atom significantly increases their photochemical reactivity. Natural population analysis showed that the magnetic moments of HoSi n (n = 3-9) and their anions derive mainly from the Ho atom. It was also found that the magnetic moments of Ho in the HoSi n clusters are larger than the magnetic moment of an isolated Ho atom.

Advances in SiC/SiC Composites for Aero-Propulsion

NASA Technical Reports Server (NTRS)

DiCarlo, James A.

2013-01-01

In the last decade, considerable progress has been made in the development and application of ceramic matrix composites consisting of silicon carbide (SiC) based matrices reinforced by small-diameter continuous-length SiC-based fibers. For example, these SiC/SiC composites are now in the early stages of implementation into hot-section components of civil aero-propulsion gas turbine engines, where in comparison to current metallic components they offer multiple advantages due to their lighter weight and higher temperature structural capability. For current production-ready SiC/SiC, this temperature capability for long time structural applications is 1250 degC, which is better than 1100 degC for the best metallic superalloys. Foreseeing that even higher structural reliability and temperature capability would continue to increase the advantages of SiC/SiC composites, progress in recent years has also been made at NASA toward improving the properties of SiC/SiC composites by optimizing the various constituent materials and geometries within composite microstructures. The primary objective of this chapter is to detail this latter progress, both fundamentally and practically, with particular emphasis on recent advancements in the materials and processes for the fiber, fiber coating, fiber architecture, and matrix, and in the design methods for incorporating these constituents into SiC/SiC microstructures with improved thermo-structural performance.

Structures, phase transitions, and magnetic properties of C o3Si from first-principles calculations

NASA Astrophysics Data System (ADS)

Zhao, Xin; Yu, Shu; Wu, Shunqing; Nguyen, Manh Cuong; Wang, Cai-Zhuang; Ho, Kai-Ming

2017-07-01

C o3Si was recently reported to exhibit remarkable magnetic properties in the nanoparticle form [B. Balasubramanian et al., Appl. Phys. Lett. 108, 152406 (2016)], 10.1063/1.4945987, yet better understanding of this material should be promoted. Here we report a study on the crystal structures of C o3Si using an adaptive genetic algorithm and discuss its electronic and magnetic properties from first-principles calculations. Several competing phases of C o3Si have been revealed from our calculations. We show that the hexagonal C o3Si structure reported in experiments has lower energy in the nonmagnetic state than in the ferromagnetic state at zero temperature. The ferromagnetic state of the hexagonal structure is dynamically unstable with imaginary phonon modes and transforms into a new orthorhombic structure, which is confirmed by our structure searches to have the lowest energy for both C o3Si and C o3Ge . Magnetic properties of the experimental hexagonal structure and the lowest-energy structures obtained from our structure searches are investigated in detail.

Silicene-terminated surface of calcium and strontium disilicides: properties and comparison with bulk structures by computational methods

NASA Astrophysics Data System (ADS)

Brázda, Petr; Mutombo, Pingo; Ondráček, Martin; Corrêa, Cinthia Antunes; Kopeček, Jaromír; Palatinus, Lukáš

2018-05-01

The bulk and surface structures of calcium and strontium disilicides are investigated by computational methods using density functional theory. The investigated structures are R6, R3 and P1-CaSi2 and P1-SrSi2. The investigated properties are the cleavage energy at the silicene sheet, buckling of the bulk and surface silicene layers, charge transfer from calcium to silicon, band structure of bulk and surface-terminated structures and adsorption energies on H atoms and H2 molecules on the silicene-terminated surface of the R3 phase. The cleavage energy at the silicene surface is low in all cases. Structures P1-CaSi2 and R3-CaSi2 contain silicene sheets with different coordination to Ca, while R6-CaSi2 contains both types of the sheets. It is shown that the properties of the two types of silicene-like sheets in R6-CaSi2 are similar to those of the corresponding sheets in P1-CaSi2 and R3-CaSi2, and the thermodynamically stable R6 phase is a good candidate for experimental investigation of silicene-terminated surface in calcium disilicide.

Research of influence of the underlayer material on the growth rate of carbon nanotube arrays for manufacturing non-volatile memory elements with high speed

NASA Astrophysics Data System (ADS)

Klimin, V. S.; Il'ina, M. V.; Il'in, O. I.; Rudyk, N. N.; Ageev, O. A.

2017-11-01

This experimental work is devoted to the regimes of obtaining arrays of carbon nanotubes. Arrays of perpendicular nanotubes perpendicular to the surface were obtained by the method of Plasma-enhanced chemical vapor deposition. In this paper, geometric and electronic parameters of carbon nanotubes were investigated depending on the material of the sublayer. The rates of growth of carbon nanotubes on various structures were also determined. In the experiments for growth, structures such as Ni-Al-Si, Ni-V-Si, Ni-Ti-Si, Ni-Cr-Si were used. The growth rates for the intensive section were for the Ni-Cr-Si structure, the growth rate is about 1 μm / min, for the Ni-V-Si structure it is 0.55 μm / min. The growth rates for the saturation region for the Ni-Cr-Si structure, the growth rate is about 0.2 μm / min, for the Ni-V-Si structure 0.16 μm / min. The results obtained in this paper can be used to optimize the growth regimes perpendicularly oriented to the substrate carbon nanotubes, which are used as various elements in modern nanoelectronics.

Silicon as a potential anode material for Li-ion batteries: where size, geometry and structure matter.

PubMed

Ashuri, Maziar; He, Qianran; Shaw, Leon L

2016-01-07

Silicon has attracted huge attention in the last decade because it has a theoretical capacity ∼10 times that of graphite. However, the practical application of Si is hindered by three major challenges: large volume expansion during cycling (∼300%), low electrical conductivity, and instability of the SEI layer caused by repeated volume changes of the Si material. Significant research efforts have been devoted to addressing these challenges, and significant breakthroughs have been made particularly in the last two years (2014 and 2015). In this review, we have focused on the principles of Si material design, novel synthesis methods to achieve such structural designs, and the synthesis-structure-performance relationships to enhance the properties of Si anodes. To provide a systematic overview of the Si material design strategies, we have grouped the design strategies into several categories: (i) particle-based structures (containing nanoparticles, solid core-shell structures, hollow core-shell structures, and yolk-shell structures), (ii) porous Si designs, (iii) nanowires, nanotubes and nanofibers, (iv) Si-based composites, and (v) unusual designs. Finally, our personal perspectives on outlook are offered with an aim to stimulate further discussion and ideas on the rational design of durable and high performance Si anodes for the next generation Li-ion batteries in the near future.

Unexpected Magnetic Ordering on the Cr Substructure in UCr2Si2C and Structural Relationships in Quaternary U-Cr-Si-C Compounds.

PubMed

Lemoine, Pierric; Vernière, Anne; Pasturel, Mathieu; Venturini, Gérard; Malaman, Bernard

2018-03-05

Previous experimental and theoretical studies revealed that carbon insertion into the RCr 2 Si 2 compounds drastically affects the magnetic behavior, since chromium does not carry any magnetic moment in RCr 2 Si 2 C (R = Y, La-Sm, Gd-Er) compounds in contrast to RCr 2 Si 2 (R = Y, Sm, Gd-Lu, Th) compounds. In this study, we report on the unexpected magnetic ordering of chromium atoms in the isotype quaternary UCr 2 Si 2 C compound. While specific heat and magnetic measurements suggest a Pauli paramagnetic behavior, neutron powder diffraction reveals an antiferromagnetic ordering of the chromium substructure at high temperature ( T N > 300 K), while that of uranium remains nonmagnetically ordered down to 2 K. Its magnetic behavior, inverse in comparison to the RCr 2 Si 2 C carbides involving a magnetic lanthanide, is discussed in relation with the singularity of its crystal structure among the series. Moreover, the crystallographic structures and the structural stability of UCr 2 Si 2 C and of two other quaternary U-Cr-Si-C compounds (i.e., UCr 3 Si 2 C and U 2 Cr 3 Si 2 C 3 ), based on the full occupancy of interstitial sites by carbon atoms, are discussed and compared to those of the related ternary intermetallics. Finally, the low-temperature form of UCr 2 Si 2 , corresponding to a displacive transformation around 210 K of the ThCr 2 Si 2 -type structure, is reinvestigated by considering a higher symmetry monoclinic unit cell ( C2/ m) instead of the previously reported triclinic cell ( P1̅). The antiferromagnetic ordering at low temperature ( T N = 30(2) K) of the uranium substructure is confirmed, and its magnetic structure is reanalyzed and discussed considering the monoclinic crystal structure.

Geometric structure of thin SiO xN y films on Si(100)

NASA Astrophysics Data System (ADS)

Behrens, K.-M.; Klinkenberg, E.-D.; Finster, J.; Meiwes-Broer, K.-H.

1998-05-01

Thin films of amorphous stoichometric SiO xN y are deposited on radiation-heated Si(100) by rapid thermal low-pressure chemical vapour deposition. We studied the whole range of possible compositions. In order to determine the geometric structure, we used EXAFS and photoelectron spectroscopy. Tetrahedrons constitute the short-range units with a central Si atom connected to N and O. The distribution of the possible tetrahedrons can be described by a mixture of the Random Bonding Model and the Random Mixture Model. For low oxygen contents x/( x+ y)≤0.3, the geometric structure of the film is almost the structure of a-Si 3N 4, with the oxygen preferably on top of Si-N 3 triangles. Higher oxygen contents induce changes in the bond lengths, bond angles and coordination numbers.

Measurements comparison of oxygenated volatile organic compounds at a rural site during the 1995 SOS Nashville Intensive

NASA Astrophysics Data System (ADS)

Apel, E. C.; Calvert, J. G.; Riemer, D.; Pos, W.; Zika, R.; Kleindienst, T. E.; Lonneman, W. A.; Fung, K.; Fujita, E.; Shepson, P. B.; Starn, T. K.; Roberts, P. T.

1998-09-01

Simultaneous measurements of oxygenated volatile organic compounds (OVOCs) by four independent research groups at the Youth Incorporated (YI) site during the 1995 Southern Oxidants Study Nashville Intensive, between July 4 and 30, 1995, provided a unique opportunity to compare results from different techniques. 2,4-Dinitrophenylhydrazine (DNPH) coated C18 (C18AtmAA) and Si-Gel (Si-GelMTE) cartridges were compared with each other and with two sorbent-based preconcentration gas chromatographic (GC) techniques coupled with mass spectrometric (MS) detection (GC/MSUM and GC/MSPU) or flame ionization detection GC/FIDUM· The experiment consisted of both a laboratory (part A) and an ambient air comparison (part B). In part A of the study, standard mixtures of OVOCs were diluted in a flowing gas stream of humidified, purified air, both with and without addition of O3, and distributed to participant's instrumentation. Concentrations were compared with the expected values based on known cylinder concentrations and dilution factors. In part B of the study, the instruments sampled ambient air from a common glass manifold. Species intercompared were formaldehyde, acetaldehyde, acetone, and propanal. The C18AtmAA data were typically higher than the Si-GelMTE data for the four intercompared compounds, and possible explanations are given. Agreement between the cartridge systems and the GC/MS, GC/FID systems for comeasured compounds was poorer than expected but improved towards the end of the experiment. The GC/MS systems tracked each other well for acetone, but there were differences in the absolute concentration values. These results show that improvements in the accuracy and comparability of techniques should be of high priority.

Monitoring of the fermentation media of citric acid by the trimethylsilyl derivatives of the organic acids formed.

PubMed

Ghassempour, Alireza; Nojavan, Saeed; Talebpour, Zahra; Amiri, Ali Asghar; Najafi, Nahid Mashkouri

2004-10-20

In this approach, a derivatization method is described for monitoring of organic acids in fermentation media without any separation step. The aqueous phase of fermentation media was evaporated and heated in a silylation reagent to form trimethylsilyl (TMS) derivatives. The silylated compounds are analyzed by 29Si nuclear magnetic resonance (29Si NMR) and gas chromatography-mass spectrometry (GC-MS). 29Si NMR can qualitatively monitor the components produced in the Krebs cycle. Quantification of these compounds is investigated by using selected ion monitoring mode of mass spectrometry. In this mode, mass to charge (m/z) values of their [M - 15]+ ions, which are 465, 275, 247, 221, 335, 251, and 313 of TMS derivatives of citric, alpha-ketoglutaric, succinic, fumaric, l-malic, oxaloacetic, and palmitic (as an internal standard), acids, respectively, are used. The limit of detection and the linear working range for derivatized citric acid were found to be 0.1 mg L(-1) and 10-3 x 10(4) mg L(-1). The relative standard deviation of the method for five replicates was 2.1%. The average recovery efficiency for citric acid added to culture media was approximately 97.2%. Quantitative results of GC-MS are compared with those obtained by an ultraviolet-visible method. Copyright 2004 American Chemical Society

Sulfur-based absolute quantification of proteins using isotope dilution inductively coupled plasma mass spectrometry

NASA Astrophysics Data System (ADS)

Lee, Hyun-Seok; Heun Kim, Sook; Jeong, Ji-Seon; Lee, Yong-Moon; Yim, Yong-Hyeon

2015-10-01

An element-based reductive approach provides an effective means of realizing International System of Units (SI) traceability for high-purity biological standards. Here, we develop an absolute protein quantification method using double isotope dilution (ID) inductively coupled plasma mass spectrometry (ICP-MS) combined with microwave-assisted acid digestion for the first time. We validated the method and applied it to certify the candidate protein certified reference material (CRM) of human growth hormone (hGH). The concentration of hGH was determined by analysing the total amount of sulfur in hGH. Next, the size-exclusion chromatography method was used with ICP-MS to characterize and quantify sulfur-containing impurities. By subtracting the contribution of sulfur-containing impurities from the total sulfur content in the hGH CRM, we obtained a SI-traceable certification value. The quantification result obtained with the present method based on sulfur analysis was in excellent agreement with the result determined via a well-established protein quantification method based on amino acid analysis using conventional acid hydrolysis combined with an ID liquid chromatography-tandem mass spectrometry. The element-based protein quantification method developed here can be generally used for SI-traceable absolute quantification of proteins, especially pure-protein standards.

Fluorescently labelled multiplex lateral flow immunoassay based on cadmium-free quantum dots.

PubMed

Beloglazova, Natalia V; Sobolev, Aleksander M; Tessier, Mickael D; Hens, Zeger; Goryacheva, Irina Yu; De Saeger, Sarah

2017-03-01

A sensitive tool for simultaneous qualitative detection of two mycotoxins based on use of non-cadmium quantum dots (QDs) is presented for the first time. QDs have proven themselves as promising fluorescent labels for biolabeling and chemical analysis. With an increasing global tendency to regulate and limit the use of hazardous elements, indium phosphide (InP) QDs are highlighted as environmentally-friendly alternatives to the highly efficient and well-studied, but potentially toxic Cd- and Pb-based QDs. Here, we developed water-soluble InP QDs-based fluorescent nanostructures. They consisted of core/shell InP/ZnS QDs enrobed in a silica shell that allowed the water solubility (QD@SiO 2 ). Then we applied the QD@SiO 2 as novel, silica shell-encapsulated fluorescent labels in immunoassays for rapid multiplexed screening. Two mycotoxins, zearalenone and deoxynivalenol, were simultaneously detected in maize and wheat, since the two QD@SiO 2 labelled conjugates emit at two different, individually detectable wavelengths. The cutoff values for the simultaneous determination were 50 and 500μgkg -1 for zearalenone and deoxynivalenol, respectively, in both maize and wheat. Liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS) was used to confirm the result. Copyright © 2017 Elsevier Inc. All rights reserved.

Synthesis and application of Fe3O4@SiO2@TiO2 for photocatalytic decomposition of organic matrix simultaneously with magnetic solid phase extraction of heavy metals prior to ICP-MS analysis.

PubMed

Habila, Mohamed A; ALOthman, Zeid A; El-Toni, Ahmed Mohamed; Labis, Joselito Puzon; Soylak, Mustafa

2016-07-01

Interference of organic compounds in the matrix of heavy metal solution could suppress their pre-concentration and detection processes. Therefore, this work aimed to develop simple and facile methods for separation of heavy metals before ICP-MS analysis. Fe3O4@SiO2@TiO2 core-double shell magnetic adsorbent was prepared and characterized by TEM, SEM, FTIR, XRD and surface area, and tested for Magnetic Solid Phase Extraction (MSPE) of Cu(II), Zn(II), Cd(II) and Pb(II). TEM micrograph of Fe3O4@SiO2@TiO2 reveals the uniform coating of TiO2 layer of about 20nm onto the Fe3O4@SiO2 nanoparticles and indicates that all nanoparticles are monodispersed and uniform. The saturation magnetization from the room-temperature hysteresis loops of Fe3O4 and Fe3O4@SiO2@TiO2 was found to be 72 and 40emug(-1), respectively, suggesting good separability of the nanoparticles. The Fe3O4@SiO2@TiO2 showed maximum adsorption capacity of 125, 137, 148 and 160mgg(-1) for Cu(II), Zn(II), Cd(II) and Pb(II) respectively, and the process was found to fit with the second order kinetic model and Langmuir isotherm. Fe3O4@SiO2@TiO2 showed efficient photocatalytic decomposition for tartrazine and sunset yellow (consider as Interfering organic compounds) in aqueous solution under the irradiation of UV light. The maximum recovery% was achieved at pH 5, by elution with 10mL of 2M nitric acid solution. The LODs were found to be 0.066, 0.049, 0.041 and 0.082µgL(-1) for Cu(II), Zn(II), Cd(II) and Pb(II), respectively while the LOQs were found to be 0.20, 0.15, 0.12 and 0.25µgL(-1) for Cu(II), Zn(II), Cd(II) and Pb(II), respectively. Copyright © 2016 Elsevier B.V. All rights reserved.

The role of chemical structure on the magnetic and electronic properties of Co{sub 2}FeAl{sub 0.5}Si{sub 0.5}/Si(111) interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuerbanjiang, Balati; Nedelkoski, Zlatko; Ghasemi, Arsham

2016-04-25

We show that Co{sub 2}FeAl{sub 0.5}Si{sub 0.5} film deposited on Si(111) has a single crystal structure and twin related epitaxial relationship with the substrate. Sub-nanometer electron energy loss spectroscopy shows that in a narrow interface region there is a mutual inter-diffusion dominated by Si and Co. Atomic resolution aberration-corrected scanning transmission electron microscopy reveals that the film has B2 ordering. The film lattice structure is unaltered even at the interface due to the substitutional nature of the intermixing. First-principles calculations performed using structural models based on the aberration corrected electron microscopy show that the increased Si incorporation in the filmmore » leads to a gradual decrease of the magnetic moment as well as significant spin-polarization reduction. These effects can have significant detrimental role on the spin injection from the Co{sub 2}FeAl{sub 0.5}Si{sub 0.5} film into the Si substrate, besides the structural integrity of this junction.« less

Study of iridium silicide monolayers using density functional theory

NASA Astrophysics Data System (ADS)

Popis, Minh D.; Popis, Sylvester V.; Oncel, Nuri; Hoffmann, Mark R.; ćakır, Deniz

2018-02-01

In this study, we investigated physical and electronic properties of possible two-dimensional structures formed by Si (silicon) and Ir (iridium). To this end, different plausible structures were modeled by using density functional theory and the cohesive energies calculated for the geometry of optimized structures, with the lowest equilibrium lattice constants. Among several candidate structures, we identified three mechanically (via elastic constants and Young's modulus), dynamically (via phonon calculations), and thermodynamically stable iridium silicide monolayer structures. The lowest energy structure has a chemical formula of Ir2Si4 (called r-IrSi2), with a rectangular lattice (Pmmn space group). Its cohesive energy was calculated to be -0.248 eV (per IrSi2 unit) with respect to bulk Ir and bulk Si. The band structure indicates that the Ir2Si4 monolayer exhibits metallic properties. Other stable structures have hexagonal (P-3m1) and tetragonal (P4/nmm) cell structures with 0.12 and 0.20 eV/f.u. higher cohesive energies, respectively. Our calculations showed that Ir-Si monolayers are reactive. Although O2 molecules exothermically dissociate on the surface of the free-standing iridium silicide monolayers with large binding energies, H2O molecules bind to the monolayers with a rather weak interaction.

Ultra-low noise TES bolometer arrays for SAFARI instrument on SPICA

NASA Astrophysics Data System (ADS)

Khosropanah, P.; Suzuki, T.; Ridder, M. L.; Hijmering, R. A.; Akamatsu, H.; Gottardi, L.; van der Kuur, J.; Gao, J. R.; Jackson, B. D.

2016-07-01

SRON is developing ultra-low noise Transition Edge Sensors (TESs) based on a superconducting Ti/Au bilayer on a suspended SiN island with SiN legs for the SAFARI instrument aboard the SPICA mission. We successfully fabricated TESs with very narrow (0.5-0.7 μm) and thin (0.25 μm) SiN legs on different sizes of SiN islands using deep reactiveion etching process. The pixel size is 840x840 μm2 and there are variety of designs with and without optical absorbers. For TESs without absorbers, we measured electrical NEPs as low as <1x10-19 W/√Hz with response time of 0.3 ms and reached the phonon noise limit. Using TESs with absorbers, we quantified the darkness of our setup and confirmed a photon noise level of 2x10-19 W/√Hz.

Element Distribution in Silicon Refining: Thermodynamic Model and Industrial Measurements

NASA Astrophysics Data System (ADS)

Næss, Mari K.; Kero, Ida; Tranell, Gabriella; Tang, Kai; Tveit, Halvard

2014-11-01

To establish an overview of impurity elemental distribution among silicon, slag, and gas/fume in the refining process of metallurgical grade silicon (MG-Si), an industrial measurement campaign was performed at the Elkem Salten MG-Si plant in Norway. Samples of in- and outgoing mass streams, i.e., tapped Si, flux and cooling materials, refined Si, slag, and fume, were analyzed by high-resolution inductively coupled plasma mass spectrometry (HR-ICP-MS), with respect to 62 elements. The elemental distributions were calculated and the experimental data compared with equilibrium estimations based on commercial and proprietary, published databases and carried out using the ChemSheet software. The results are discussed in terms of boiling temperatures, vapor pressures, redox potentials, and activities of the elements. These model calculations indicate a need for expanded databases with more and reliable thermodynamic data for trace elements in general and fume constituents in particular.

Numerical investigation of metal-semiconductor-insulator-semiconductor passivated hole contacts based on atomic layer deposited AlO x

NASA Astrophysics Data System (ADS)

Ke, Cangming; Xin, Zheng; Ling, Zhi Peng; Aberle, Armin G.; Stangl, Rolf

2017-08-01

Excellent c-Si tunnel layer surface passivation has been obtained recently in our lab, using atomic layer deposited aluminium oxide (ALD AlO x ) in the tunnel layer regime of 0.9 to 1.5 nm, investigated to be applied for contact passivation. Using the correspondingly measured interface properties, this paper compares the theoretical collection efficiency of a conventional metal-semiconductor (MS) contact on diffused p+ Si to a metal-semiconductor-insulator-semiconductor (MSIS) contact on diffused p+ Si or on undoped n-type c-Si. The influences of (1) the tunnel layer passivation quality at the tunnel oxide interface (Q f and D it), (2) the tunnel layer thickness and the electron and hole tunnelling mass, (3) the tunnel oxide material, and (4) the semiconductor capping layer material properties are investigated numerically by evaluation of solar cell efficiency, open-circuit voltage, and fill factor.

Nitrided SrTiO3 as charge-trapping layer for nonvolatile memory applications

NASA Astrophysics Data System (ADS)

Huang, X. D.; Lai, P. T.; Liu, L.; Xu, J. P.

2011-06-01

Charge-trapping characteristics of SrTiO3 with and without nitrogen incorporation were investigated based on Al/Al2O3/SrTiO3/SiO2/Si (MONOS) capacitors. A Ti-silicate interlayer at the SrTiO3/SiO2 interface was confirmed by x-ray photoelectron spectroscopy and transmission electron microscopy. Compared with the MONOS capacitor with SrTiO3 as charge-trapping layer (CTL), the one with nitrided SrTiO3 showed a larger memory window (8.4 V at ±10 V sweeping voltage), higher P/E speeds (1.8 V at 1 ms +8 V) and better retention properties (charge loss of 38% after 104 s), due to the nitrided SrTiO3 film exhibiting higher dielectric constant, higher deep-level traps induced by nitrogen incorporation, and suppressed formation of Ti silicate between the CTL and SiO2 by nitrogen passivation.

Optical and Structural Properties of Si Nanocrystals in SiO2 Films.

PubMed

Nikitin, Timur; Khriachtchev, Leonid

2015-04-22

Optical and structural properties of Si nanocrystals (Si-nc) in silica films are described. For the SiOx (x < 2) films annealed above 1000 °C, the Raman signal of Si-nc and the absorption coefficient are proportional to the amount of elemental Si detected by X-ray photoelectron spectroscopy. A good agreement is found between the measured refractive index and the value estimated by using the effective-medium approximation. The extinction coefficient of elemental Si is found to be between the values of crystalline and amorphous Si. Thermal annealing increases the degree of Si crystallization; however, the crystallization and the Si-SiO2 phase separation are not complete after annealing at 1200 °C. The 1.5-eV PL quantum yield increases as the amount of elemental Si decreases; thus, this PL is probably not directly from Si-nc responsible for absorption and detected by Raman spectroscopy. Continuous-wave laser light can produce very high temperatures in the free-standing films, which changes their structural and optical properties. For relatively large laser spots, the center of the laser-annealed area is very transparent and consists of amorphous SiO2. Large Si-nc (up to ∼300 nm in diameter) are observed in the ring around the central region. These Si-nc lead to high absorption and they are typically under compressive stress, which is connected with their formation from the liquid phase. By using strongly focused laser beams, the structural changes in the free-standing films can be made in submicron areas.

Fabrication and magnetic properties of structure-tunable Co2FeGa-SiO2 Heusler nanocompounds

NASA Astrophysics Data System (ADS)

Xu, Yunli; Yang, Dongchao; Luo, Zhaochu; Wu, Fengyu; Chen, Cheng; Liu, Min; Yi, Lizhi; Piao, Hong-Guang; Yu, Guanghua

2018-05-01

Co2FeGa-SiO2 nanocompounds were chemically synthesized by using SBA-15 as template, which has the L21 Heusler phase. The reactants comprised CoCl2 . 6H2O, Fe(NO3)3 . 9H2O and Ga(NO3) . xH2O with the addition of SBA-15 with different contents. The structure and morphology of the product were controlled by modulating the ratio of reactants to templates. After high-temperature annealing under H2 atmosphere and the removal of the template, the Co2FeGa nanowires, which are of about 125˜200 nm length, 4˜7 nm width and the length-to-width ratio of about 30 were observed by transmission electron microscope. The structure and component of the nanowires were confirmed by selected area electron diffraction, X-ray diffraction and energy-dispersive X-ray spectroscopy, respectively. The magnetic test showed that the saturation magnetization (Ms) was 87.5 emu/g for the Co2FeGa nanowires, and the Curie temperature was higher than 380K. The effective anisotropy constant Keff=4.196 × 105 J/m3 was calculated using magnetization curve, which is below the value of bulk Co2FeGa 6.54 × 105 J/m3. The dynamic magnetic properties study performed by ferromagnetic resonance indicated that the Gilbert damping coefficient α were about 0.1944-0.0288 for different samples. The high damping coefficient makes the nanocomposites promising to be used as a microwave absorber in the GHz band.

Structure and superconductivity in the ternary silicide CaAlSi

NASA Astrophysics Data System (ADS)

Ma, Rong; Huang, Gui-Qin; Liu, Mei

2007-06-01

Using the linear response-linearized Muffin-tin orbital (LR-LMTO) method, we study the electronic band structure, phonon spectra, electron-phonon coupling and superconductivity for c-axis ferromagnetic-like (F-like) and antiferromagnetic-like (AF-like) structures in ternary silicide CaAlSi. The following conclusions are drawn from our calculations. If Al and Si atoms are assumed to arrange along the c axis in an F-like long-range ordering (-Al-Al-Al-and-Si-Si-Si-), one could obtain the ultrasoft B1g phonon mode and thus very strong electron-phonon coupling in CaAlSi. However, the appearance of imaginary frequency phonon modes indicates the instability of such a structure. For Al and Si atoms arranging along the c axis in an AF-like long-range ordering (-Al-Si-Al-), the calculated electron-phonon coupling constant is equal to 0.8 and the logarithmically averaged frequency is 146.8 K. This calculated result can correctly yield the superconducting transition temperature of CaAlSi by the standard BCS theory in the moderate electron-phonon coupling strength. We propose that an AF-like superlattice model for Al (or Si) atoms along the c direction may mediate the inconsistency estimated from theory and experiment, and explain the anomalous superconductivity in CaAlSi.

Multiple Aromaticity and Antiaromaticity in Silicon Clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhai, Hua JIN.; Kuznetsov, A E.; Boldyrev, Alexander I.

A series of silicon clusters containing four atoms but with different charge states (Si{sub 4}{sup 2+}, Si{sub 4}, Si{sub 4}{sup 2-}, and NaSi{sub 4}{sup -}) were studied by photoelectron spectroscopy and ab initio calculations. Structure evolution and chemical bonding in this series were interpreted in terms of aromaticity and antiaromaticity, which allowed the prediction of how structures of the four-atom silicon clusters change upon addition or removal of two electrons. It is shown that Si{sub 4}{sup 2+} is square-planar, analogous to the recently discovered aromatic Al{sub 4}{sup 2-} cluster. Upon addition of two electrons, neutral Si{sub 4} becomes {sigma}-antiaromatic andmore » exhibits a rhombus distortion. Adding two more electrons to Si{sub 4} leads to two energetically close structures of Si{sub 4}{sup 2-}: either a double antiaromatic parallelogram structure or an aromatic system with a butterfly distortion. Because of the electronic instability of doubly charged Si{sub 4}{sup 2-}, a stabilizing cation (Na{sup +}) was used to produce Si{sub 4}{sup 2-} in the gas phase in the form of Na{sup +}[Si{sub 4}{sup 2-}], which was characterized experimentally by photoelectron spectroscopy. Multiple antiaromaticity in the parallelogram Na{sup +}[Si{sub 4}{sup 2-}] species is highly unusual.« less

Concept Doped-Silicon Thermopile Detectors for Future Planetary Thermal Imaging Instruments

NASA Astrophysics Data System (ADS)

Lakew, Brook; Barrentine, Emily M.; Aslam, Shahid; Brown, Ari D.

2016-10-01

Presently, uncooled thermopiles are the detectors of choice for thermal mapping in the 4.6-100 μm spectral range. Although cooled detectors like Ge or Si thermistor bolometers, and MgB2 or YBCO superconducting bolometers, have much higher sensitivity, the required active or passive cooling mechanisms add prohibitive cost and mass for long duration missions. Other uncooled detectors, likepyroelectrics, require a motor mechanism to chop against a known reference temperature, which adds unnecessary mission risk. Uncooled vanadium oxide or amorphous Si microbolometer arrays with integrated CMOS readout circuits, not only have lower sensitivity, but also have not been proven to be radiation hard >100 krad (Si) total ionizing dose, and barring additional materials and readout development, their performance has reached a plateau.Uncooled and radiation hard thermopiles with D* ~1x109 cm√Hz/W and time constant τ ~100 ms have been integrated into thermal imaging instruments on several past missions and have extensive flight heritage (Mariner, Voyager, Cassini, LRO, MRO). Thermopile arrays are also on the MERTIS instrument payload on-board the soon to be launched BepiColombo Mission.To date, thermopiles used for spaceflight instrumentation have consisted of either hand assembled "one-off" single thermopile pixels or COTS thermopile pixel arrays both using Bi-Sb or Bi-Te thermoelectric materials. For future high performance imagers, thermal detector arrays with higher D*, lower τ, and high efficiency delineated absorbers are desirable. Existing COTS and other flight thermopile designs require highly specialized and nonstandard processing techniques to fabricate both the Bi-Sb or Bi-Te thermocouples and the gold or silver black absorbers, which put limitations on further development.Our detector arrays will have a D* ≥ 3x109 cm√Hz/W and a thermal time constant ≤ 30 ms at 170 K. They will be produced using proven, standard semiconductor and MEMS fabrication techniques, which will enable the future integration of other ancillary structures like high efficiency broadband absorbers, which will result in D* ≥ 5x109 cm√Hz/W.

Determination of trace/ultratrace rare earth elements in environmental samples by ICP-MS after magnetic solid phase extraction with Fe3O4@SiO2@polyaniline-graphene oxide composite.

PubMed

Su, Shaowei; Chen, Beibei; He, Man; Hu, Bin; Xiao, Zuowei

2014-02-01

A novel Fe3O4@SiO2@polyaniline-graphene oxide composite (MPANI-GO) was prepared through a simple noncovalent method and applied to magnetic solid phase extraction (MSPE) of trace rare earth elements (REEs) in tea leaves and environmental water samples followed by inductively coupled plasma mass spectrometry (ICP-MS) detection. The prepared MPANI-GO was characterized by transmission electron microscopy and vibrating sample magnetometer. Various parameters affecting MPANI-GO MSPE of REEs have been investigated. Under the optimized conditions, the limits of detection (LODs, 3σ) for REEs were in the range of 0.04-1.49 ng L(-1) and the relative standard deviations (RSDs, c=20 ng L(-1), n=7) were 1.7-6.5%. The accuracy of the proposed method was validated by analyzing a Certified Reference Material of GBW 07605 tea leaves. The method was also successfully applied for the determination of trace REEs in tea leaves and environmental water samples. The developed MPANI-GO MSPE-ICP-MS method has the advantages of simplicity, rapidity, high sensitivity, high enrichment factor and is suitable for the analysis of trace REEs in samples with complex matrix. © 2013 Elsevier B.V. All rights reserved.

Density functional theory study of the structural and bonding mechanism of molecular oxygen (O2) with C3Si

NASA Astrophysics Data System (ADS)

Parida, Saroj K.; Behera, C.; Sahu, Sridhar

2018-07-01

The investigations of pure and heteroatom doped carbon clusters have created great interest because of their enormous prospective applications in various research zones, for example, optoelectronics, semiconductors, material science, energy storage devices, astro-science and so on. In this article, the interaction of molecular oxygen (O2) with C3Si has explored within a density functional theory (DFT). Different possible types of structure for C3SiO2 have collected. Among five different kinds of structure, the structure-1a, 1A1 is more energetically stable. The nature of the bonding of O2 and C3Si, in C3SiO2 has been studied by using Bader's topological analysis of the electron charge density distribution ρ(r) , Laplacian ∇2 ρ(r) and total energy density H(r) at the bond critical points (BCPs) of the structures within the framework of the atoms in molecules theory (AIM). The bonding mechanism of O2 and C3Si in C3SiO2 prompts to the fundamental understanding of the interaction of C3Si with oxygen molecule. It is interesting to note that, two types of bonding mechanism are established in same C3SiO2 system such as (i) shared-kind interactions (ii) closed-shell interactions. From various kinds of structure, Csbnd C bonds in all structures are shown as shared-kind interactions whereas Csbnd Si, Osbnd O bonds are classified as closed-shell type interactions with a certain degree of covalent character.

Silicon Mitigates Salinity Stress by Regulating the Physiology, Antioxidant Enzyme Activities, and Protein Expression in Capsicum annuum ‘Bugwang'

PubMed Central

Manivannan, Abinaya; Soundararajan, Prabhakaran; Muneer, Sowbiya; Ko, Chung Ho

2016-01-01

Silicon- (Si-) induced salinity stress resistance was demonstrated at physiological and proteomic levels in Capsicum annuum for the first time. Seedlings of C. annuum were hydroponically treated with NaCl (50 mM) with or without Si (1.8 mM) for 15 days. The results illustrated that saline conditions significantly reduced plant growth and biomass and photosynthetic parameters and increased the electrolyte leakage potential, lipid peroxidation, and hydrogen peroxide level. However, supplementation of Si allowed the plants to recover from salinity stress by improving their physiology and photosynthesis. During salinity stress, Si prevented oxidative damage by increasing the activities of antioxidant enzymes. Furthermore, Si supplementation recovered the nutrient imbalance that had occurred during salinity stress. Additionally, proteomic analysis by two-dimensional gel electrophoresis (2DE) followed by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) revealed that Si treatment upregulated the accumulation of proteins involved in several metabolic processes, particularly those associated with nucleotide binding and transferase activity. Moreover, Si modulated the expression of vital proteins involved in ubiquitin-mediated nucleosome pathway and carbohydrate metabolism. Overall, the results illustrate that Si application induced resistance against salinity stress in C. annuum by regulating the physiology, antioxidant metabolism, and protein expression. PMID:27088085

Silicon Mitigates Salinity Stress by Regulating the Physiology, Antioxidant Enzyme Activities, and Protein Expression in Capsicum annuum 'Bugwang'.

PubMed

Manivannan, Abinaya; Soundararajan, Prabhakaran; Muneer, Sowbiya; Ko, Chung Ho; Jeong, Byoung Ryong

2016-01-01

Silicon- (Si-) induced salinity stress resistance was demonstrated at physiological and proteomic levels in Capsicum annuum for the first time. Seedlings of C. annuum were hydroponically treated with NaCl (50 mM) with or without Si (1.8 mM) for 15 days. The results illustrated that saline conditions significantly reduced plant growth and biomass and photosynthetic parameters and increased the electrolyte leakage potential, lipid peroxidation, and hydrogen peroxide level. However, supplementation of Si allowed the plants to recover from salinity stress by improving their physiology and photosynthesis. During salinity stress, Si prevented oxidative damage by increasing the activities of antioxidant enzymes. Furthermore, Si supplementation recovered the nutrient imbalance that had occurred during salinity stress. Additionally, proteomic analysis by two-dimensional gel electrophoresis (2DE) followed by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) revealed that Si treatment upregulated the accumulation of proteins involved in several metabolic processes, particularly those associated with nucleotide binding and transferase activity. Moreover, Si modulated the expression of vital proteins involved in ubiquitin-mediated nucleosome pathway and carbohydrate metabolism. Overall, the results illustrate that Si application induced resistance against salinity stress in C. annuum by regulating the physiology, antioxidant metabolism, and protein expression.

In and Si adatoms on Si(111)5×2-Au : Scanning tunneling microscopy and first-principles density functional calculations

NASA Astrophysics Data System (ADS)

Stępniak, A.; Nita, P.; Krawiec, M.; Jałochowski, M.

2009-09-01

Structural properties of monatomic indium chains on Si(111)5×2-Au surface are investigated by scanning tunneling microscopy (STM) and first-principles density functional calculations (DFT). The STM topography data show that submonolayer coverage of indium leads to a well-ordered chain structure with the same periodicity as the Si adatoms form on Si(111)5×2-Au surface. Bias-dependent STM topography and spectroscopy reveal two different mechanisms of In-atoms adsorption on the surface: bonding to Si adatoms and substitution for Si atoms in the adatom positions. Those mechanisms are further corroborated by DFT calculations. The obtained structural model of In-modified Si(111)5×2-Au surface remains in good agreement with the experimental data.

A Centralized Source of Information for the Military Working Dog Program

DTIC Science & Technology

1990-06-01

USA B.S., Purdue University, 1975 MS., Oklahoma State University, 1978 D TIC D.V.M., Colorado State University, 1982 NOV2 6 1990 SI D Fort...FROST, MAJ, USA D A"C "BU~n ancno un ced i B.S., Purdue University, 1975 aUsti c tio M.S., Oklahoma State University, 1978 - D.V.M., Colorado State...19-35: 2, 11-27; Thorton). Narcotic Detector Dog - A MWD trained specifically to detect the presence of marijuana and its derivatives. They are also

Resistive switching behaviors of Au/pentacene/Si-nanowire arrays/heavily doped n-type Si devices for memory applications

NASA Astrophysics Data System (ADS)

Tsao, Hou-Yen; Lin, Yow-Jon

2014-02-01

The fabrication of memory devices based on the Au/pentacene/heavily doped n-type Si (n+-Si), Au/pentacene/Si nanowires (SiNWs)/n+-Si, and Au/pentacene/H2O2-treated SiNWs/n+-Si structures and their resistive switching characteristics were reported. A pentacene memory structure using SiNW arrays as charge storage nodes was demonstrated. The Au/pentacene/SiNWs/n+-Si devices show hysteresis behavior. H2O2 treatment may lead to the hysteresis degradation. However, no hysteresis-type current-voltage characteristics were observed for Au/pentacene/n+-Si devices, indicating that the resistive switching characteristic is sensitive to SiNWs and the charge trapping effect originates from SiNWs. The concept of nanowires within the organic layer opens a promising direction for organic memory devices.

An HST/COS legacy survey of high-velocity ultraviolet absorption in the Milky Way's circumgalactic medium and the Local Group

NASA Astrophysics Data System (ADS)

Richter, P.; Nuza, S. E.; Fox, A. J.; Wakker, B. P.; Lehner, N.; Ben Bekhti, N.; Fechner, C.; Wendt, M.; Howk, J. C.; Muzahid, S.; Ganguly, R.; Charlton, J. C.

2017-11-01

Context. The Milky Way is surrounded by large amounts of diffuse gaseous matter that connects the stellar body of our Galaxy with its large-scale Local Group (LG) environment. Aims: To characterize the absorption properties of this circumgalactic medium (CGM) and its relation to the LG we present the so-far largest survey of metal absorption in Galactic high-velocity clouds (HVCs) using archival ultraviolet (UV) spectra of extragalactic background sources. The UV data are obtained with the Cosmic Origins Spectrograph (COS) onboard the Hubble Space Telescope (HST) and are supplemented by 21 cm radio observations of neutral hydrogen. Methods: Along 270 sightlines we measure metal absorption in the lines of Si II, Si III, C II, and C iv and associated H I 21 cm emission in HVCs in the velocity range | vLSR | = 100-500 km s-1. With this unprecedented large HVC sample we were able to improve the statistics on HVC covering fractions, ionization conditions, small-scale structure, CGM mass, and inflow rate. For the first time, we determine robustly the angular two point correlation function of the high-velocity absorbers, systematically analyze antipodal sightlines on the celestial sphere, and compare the HVC absorption characteristics with that of damped Lyman α absorbers (DLAs) and constrained cosmological simulations of the LG (CLUES project). Results: The overall sky-covering fraction of high-velocity absorption is 77 ± 6 percent for the most sensitive ion in our survey, Si III, and for column densities log N(Si III)≥ 12.1. This value is 4-5 times higher than the covering fraction of 21 cm neutral hydrogen emission at log N(H I)≥ 18.7 along the same lines of sight, demonstrating that the Milky Way's CGM is multi-phase and predominantly ionized. The measured equivalent-width ratios of Si II, Si III, C II, and C iv are inhomogeneously distributed on large and small angular scales, suggesting a complex spatial distribution of multi-phase gas that surrounds the neutral 21 cm HVCs. We estimate that the total mass and accretion rate of the neutral and ionized CGM traced by HVCs is MHVC ≥ 3.0 × 109M⊙ and dMHVC/dt ≥ 6.1 M⊙ yr-1, where the Magellanic Stream (MS) contributes with more than 90 percent to this mass/mass-flow. If seen from an external vantage point, the Milky Way disk plus CGM would appear as a DLA that would exhibit for most viewing angles an extraordinary large velocity spread of Δv ≈ 400-800 km s-1, a result of the complex kinematics of the Milky Way CGM that is dominated by the presence of the MS. We detect a velocity dipole of high-velocity absorption at low/high galactic latitudes that we associate with LG gas that streams to the LG barycenter. This scenario is supported by the gas kinematics predicted from the LG simulations. Conclusions: Our study confirms previous results, indicating that the Milky Way CGM contains sufficient gaseous material to feed the Milky Way disk over the next Gyr at a rate of a few solar masses per year, if the CGM gas can actually reach the MW disk. We demonstrate that the CGM is composed of discrete gaseous structures that exhibit a large-scale kinematics together with small-scale variations in physical conditions. The MS clearly dominates both the cross section and mass flow of high-velocity gas in the Milky Way's CGM. The possible presence of high-velocity LG gas underlines the important role of the local cosmological environment in the large-scale gas-circulation processes in and around the Milky Way. Based on observations obtained with the NASA/ESA Hubble Space Telescope, which is operated by the Space Telescope Science Institute (STScI) for the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS5D26555.Full Tables A.1, A.2, and A.4 are available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/607/A48

Revealing Structural Details of SiCO Ceramics with GIPAW Calculations of Model Structures and Analysis of Experimental 29Si Nuclear Magnetic Resonance Spectroscopy

NASA Astrophysics Data System (ADS)

Nimmo, John; Kroll, Peter

2015-03-01

The occurrence of the various SiCxO4-x (1 <=x <=4) mixed tetrahedra in silicon oxycarbide (SiCO) is often quantified by means of experimental 29Si nuclear magnetic resonance. The structural centers are assigned to individual peaks in the spectrum, which can be integrated to give the relative populations. Using a recently-developed method, we show that is is also possible to recover information on the connectivity of these tetrahedra. By combining a huge library of model structures an GIPAW calculations, we show that simple relations exist between the Si-O-Si linking angles and the 29Si NMR chemical shift. In this work, we perform detailed analyses of SiCO 29Si NMR spectra available in literature. We extract angular distributions in agreement with the experimental X-ray and neutron diffraction data. Furthermore, in glasses with large amounts of so-called ``free'' carbon, we observe a significant portion of the {Si}O4 tetrahedra which have disproportionately large angles. These angles indicate the presence of internal SiO2 surfaces or cages-like voids, similar to those found in zeolites or clathrates. This analysis suggests that in SiCO, the ``free'' carbon is incorporated into these voids, which produces strain on the bonding angles of the surrounding host glass.

A VARIABLE REACTIVITY MODEL FOR ION BINDING TO ENVIRONMENTAL SORBENTS

EPA Science Inventory

The conceptual and mathematical basis for a new general-composite modeling approach for ion binding to environmental sorbents is presented. The work extends the Simple Metal Sorption (SiMS) model previously presented for metal and proton binding to humic substances. A surface com...

Inhibition of cadmium ion uptake in rice (Oryza sativa) cells by a wall-bound form of silicon.

PubMed

Liu, Jian; Ma, Jie; He, Congwu; Li, Xiuli; Zhang, Wenjun; Xu, Fangsen; Lin, Yongjun; Wang, Lijun

2013-11-01

The stresses acting on plants that are alleviated by silicon (Si) range from biotic to abiotic stresses, such as heavy metal toxicity. However, the mechanism of stress alleviation by Si at the single-cell level is poorly understood. We cultivated suspended rice (Oryza sativa) cells and protoplasts and investigated them using a combination of plant nutritional and physical techniques including inductively coupled plasma mass spectrometry (ICP-MS), the scanning ion-selective electrode technique (SIET) and X-ray photoelectron spectroscopy (XPS). We found that most Si accumulated in the cell walls in a wall-bound organosilicon compound. Total cadmium (Cd) concentrations in protoplasts from Si-accumulating (+Si) cells were significantly reduced at moderate concentrations of Cd in the culture medium compared with those from Si-limiting (-Si) cells. In situ measurement of cellular fluxes of the cadmium ion (Cd(2+) ) in suspension cells and root cells of rice exposed to Cd(2+) and/or Si treatments showed that +Si cells significantly inhibited the net Cd(2+) influx, compared with that in -Si cells. Furthermore, a net negative charge (charge density) within the +Si cell walls could be neutralized by an increase in the Cd(2+) concentration in the measuring solution. A mechanism of co-deposition of Si and Cd in the cell walls via a [Si-wall matrix]Cd co-complexation may explain the inhibition of Cd ion uptake, and may offer a plausible explanation for the in vivo detoxification of Cd in rice. © 2013 The Authors. New Phytologist © 2013 New Phytologist Trust.

Very slow decay of a defect related emission band at 2.4 eV in AlN: Signatures of the Si related shallow DX state

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lamprecht, M., E-mail: matthias.lamprecht@uni-ulm.de; Grund, C.; Neuschl, B.

2016-04-21

We report on a defect related luminescence band at 2.4 eV in aluminum nitride bulk crystals, for which we find strong indications to be related to silicon DX centers. Time resolved photoluminescence spectroscopy using a sub-bandgap excitation reveals two different recombination processes with very long decay times of 13 ms and 153 ms at low temperature. Based on the results of temperature and excitation dependent photoluminescence experiments, the process with the shorter lifetime is assigned to a donor-acceptor pair transition involving the shallow silicon donor state, which can be emptied with a thermal dissociation energy of 65 meV. The slower process with a thermalmore » quenching energy of 15 meV is assigned to the slightly deeper Si DX state known from electron paramagnetic resonance experiments, which is transferred back to the shallow donor state.« less

Selective immunotoxic lesions of basal forebrain cholinergic cells: effects on learning and memory in rats.

PubMed

Baxter, Mark G; Bucci, David J; Gorman, Linda K; Wiley, Ronald G; Gallagher, Michela

2013-10-01

Male Long-Evans rats were given injections of either 192 IgG-saporin, an apparently selective toxin for basal forebrain cholinergic neurons (LES), or vehicle (CON) into either the medial septum and vertical limb of the diagonal band (MS/VDB) or bilaterally into the nucleus basalis magnocellularis and substantia innominata (nBM/SI). Place discrimination in the Morris water maze assessed spatial learning, and a trial-unique matching-to-place task in the water maze assessed memory for place information over varying delays. MS/VDB-LES and nBM/SI-LES rats were not impaired relative to CON rats in acquisition of the place discrimination, but were mildly impaired relative to CON rats in performance of the memory task even at the shortest delay, suggesting a nonmnemonic deficit. These results contrast with effects of less selective lesions, which have been taken to support a role for basal forebrain cholinergic neurons in learning and memory. 2013 APA, all rights reserved

A new link between the retrograde actin flow and focal adhesions.

PubMed

Yamashiro, Sawako; Watanabe, Naoki

2014-11-01

The retrograde actin flow, continuous centripetal movement of the cell peripheral actin networks, is widely observed in adherent cells. The retrograde flow is believed to facilitate cell migration when linked to cell adhesion molecules. In this review, we summarize our current knowledge regarding the functional relationship between the retrograde actin flow and focal adhesions (FAs). We also introduce our recent study in which single-molecule speckle (SiMS) microscopy dissected the complex interactions between FAs and the local actin flow. FAs do not simply impede the actin flow, but actively attract and remodel the local actin network. Our findings provide a new insight into the mechanisms for protrusion and traction force generation at the cell leading edge. Furthermore, we discuss possible roles of the actin flow-FA interaction based on the accumulated knowledge and our SiMS study. © The Authors 2014. Published by Oxford University Press on behalf of the Japanese Biochemical Society. All rights reserved.

Eu3+-doped Bi4Si3O12 red phosphor for solid state lighting: microwave synthesis, characterization, photoluminescence properties and thermal quenching mechanisms

PubMed Central

Zhang, Yan; Xu, Jiayue; Cui, Qingzhi; Yang, Bobo

2017-01-01

Europium-doped bismuth silicate (Bi4Si3O12) phosphor has been prepared by microwave irradiation method and its crystal structure is determined using Rietveld method. As-prepared phosphor consists of spherical, monodispersed particles with few agglomeration, high crystallinity, and narrow grain size distribution. The phosphor can be efficiently excited in the wavelength range of 260–400 nm, which matched well with the emission wavelengths of NUV LED chips. The photoluminescence spectra exhibit the highest emission peak at 703 nm originating from 5D0 → 7F4 transition of Eu3+ under NUV excitation. The luminescence lifetime for Bi4Si3O12: 2 at% Eu3+ phosphor decreases from 2.11 to 1.86 ms with increasing temperature from 10 to 498 K. This behavior of decays is discussed in terms of radiative and nonradiative decays dependence on temperature. The thermal quenching mechanism of 5D0 emission of Eu3+ in Bi4Si3O12 phosphor is a crossover process from the 5D0 level of Eu3+ to a ligand-to-europium (O2− → Eu3+) charge transfer state. The quantum efficiency of the phosphor under 393 nm excitation is found to be 14.5%, which is higher than that of the commercial red phosphors Y2O3: Eu3+, Y2O2S: Eu3+. The temperature effect on CIE coordinate was discussed in order to further investigate the potential applications. PMID:28198396

Detection and characterisation of aluminium-containing nanoparticles in Chinese noodles by single particle ICP-MS.

PubMed

Loeschner, Katrin; Correia, Manuel; López Chaves, Carlos; Rokkjær, Inge; Sloth, Jens J

2018-01-01

This study investigated Chinese noodles for the presence of aluminium-containing nanoparticles by using inductively coupled plasma mass spectrometry in single particle mode (spICP-MS) after enzymatic digestion by α-amylase. The aluminium concentrations in the noodle samples, determined by conventional ICP-MS without or with the use of hydrofluoric acid for digestion, were 5.4 ± 1.9 µg/g and 10.1 ± 2.2 µg/g (N = 21), respectively. Aluminium-containing nanoparticles were detected by spICP-MS in all 21 samples. Depending on the assumed particle composition, Al 2 O 3 or Al 2 O 3 ∙2SiO 2 ∙2H 2 O, the median particle diameters were either below or above 100 nm, respectively. The minimum detectable particle diameter by spICP-MS was between 54 and 83 nm. The mass recovery of aluminium in the form of particles was between 5% and 18%. The presented work reports for the first time the detection of Al-containing particles in food by spICP-MS.

The closo-Si{sub 12}C{sub 12} molecule from cluster to crystal: A theoretical prediction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duan, Xiaofeng F., E-mail: xiaofeng.duan@wpafb.af.mil, E-mail: larry.burggraf@us.af.mil; Air Force Institute of Technology, Wright-Patterson Air Force Base, Ohio 45433; Burggraf, Larry W., E-mail: xiaofeng.duan@wpafb.af.mil, E-mail: larry.burggraf@us.af.mil

2016-03-21

The structure of closo-Si{sub 12}C{sub 12} is unique among stable Si{sub n}C{sub m} isomers (n, m > 4) because of its high symmetry, π–π stacking of C{sub 6} rings and unsaturated silicon atoms at symmetrical peripheral positions. Dimerization potential surfaces reveal various dimerization reactions that form between two closo-Si{sub 12}C{sub 12} molecules through Si–Si bonds at unsaturated Si atoms. As a result the closo-Si{sub 12}C{sub 12} molecule is capable of polymerization to form stable 1D polymer chains, 2D crystal layers, and 3D crystals. 2D crystal structures formed by side-side polymerization satisfy eight Si valences on each monomer without large distortionmore » of the monomer structure. 3D crystals are formed by stacking 2D structures in the Z direction, preserving registry of C{sub 6} rings in monomer moiety.« less

Kinetics and fracture resistance of lithiated silicon nanostructure pairs controlled by their mechanical interaction

DOE PAGES

Lee, Seok Woo; Lee, Hyun -Wook; Ryu, Ill; ...

2015-06-26

Following an explosion of studies of silicon as a negative electrode for Li-ion batteries, the anomalous volumetric changes and fracture of lithiated single Si particles have attracted significant attention in various fields, including mechanics. However, in real batteries, lithiation occurs simultaneously in clusters of Si in a confined medium. Hence, understanding how the individual Si structures interact during lithiation in a closed space is necessary. Here, we demonstrate physical and mechanical interactions of swelling Si structures during lithiation using well-defined Si nanopillar pairs. Ex situ SEM and in situ TEM studies reveal that compressive stresses change the reaction kinetics somore » that preferential lithiation occurs at free surfaces when the pillars are mechanically clamped. Such mechanical interactions enhance the fracture resistance of lithiated Si by lessening the tensile stress concentrations in Si structures. Lastly, this study will contribute to improved design of Si structures at the electrode level for high-performance Li-ion batteries.« less

Optical and Structural Properties of Si Nanocrystals in SiO2 Films

PubMed Central

Nikitin, Timur; Khriachtchev, Leonid

2015-01-01

Optical and structural properties of Si nanocrystals (Si-nc) in silica films are described. For the SiOx (x < 2) films annealed above 1000 °C, the Raman signal of Si-nc and the absorption coefficient are proportional to the amount of elemental Si detected by X-ray photoelectron spectroscopy. A good agreement is found between the measured refractive index and the value estimated by using the effective-medium approximation. The extinction coefficient of elemental Si is found to be between the values of crystalline and amorphous Si. Thermal annealing increases the degree of Si crystallization; however, the crystallization and the Si–SiO2 phase separation are not complete after annealing at 1200 °C. The 1.5-eV PL quantum yield increases as the amount of elemental Si decreases; thus, this PL is probably not directly from Si-nc responsible for absorption and detected by Raman spectroscopy. Continuous-wave laser light can produce very high temperatures in the free-standing films, which changes their structural and optical properties. For relatively large laser spots, the center of the laser-annealed area is very transparent and consists of amorphous SiO2. Large Si-nc (up to ~300 nm in diameter) are observed in the ring around the central region. These Si-nc lead to high absorption and they are typically under compressive stress, which is connected with their formation from the liquid phase. By using strongly focused laser beams, the structural changes in the free-standing films can be made in submicron areas. PMID:28347028

Melting and subsolidus reactions in the system K2O-CaO-Al2O3-SiO2-H2O

NASA Astrophysics Data System (ADS)

Johannes, Wilhelm

1980-09-01

Beginning of melting and subsolidus relationships in the system K2O-CaO-Al2O3-SiO2-H2O have been experimentally investigated at pressures up to 20 kbars. The equilibria discussed involve the phases anorthite, sanidine, zoisite, muscovite, quartz, kyanite, gas, and melt and two invariant points: Point [Ky] with the phases An, Or, Zo, Ms, Qz, Vapor, and Melt; point [Or] with An, Zo, Ms, Ky, Qz, Vapor, and Melt. The invariant point [Ky] at 675° C and 8.7 kbars marks the lowest solidus temperature of the system investigated. At pressures above this point the hydrated phases zoisite and muscovite are liquidus phases and the solidus temperatures increase with increasing pressure. At 20 kbars beginning of melting occurs at 740 °C. The solidus temperatures of the quinary system K2O-CaO-Al2O3-SiO2-H2O are almost 60° C (at 20 kbars) and 170° C (at 2kbars) below those of the limiting quaternary system CaO-Al2O3-SiO2-H2O. The maximum water pressure at which anorthite is stable is lowered from 14 to 8.7 kbars in the presence of sanidine. The stability limits of anorthite+ vapor and anorthite+sanidine+vapor at temperatures below 700° C are almost parallel and do not intersect. In the wide temperature — pressure range at pressures above the reaction An+Or+Vapor = Zo+Ms+Qz and temperatures below the melting curve of Zo+Ms+Ky+Qz+Vapor, the feldspar assemblage anorthite+sanidine is replaced by the hydrated phases zoisite and muscovite plus quartz. CaO-Al2O3-SiO2-H2O. Knowledge of the melting relationships involving the minerals zoisite and muscovite contributes to our understanding of the melting processes occuring in the deeper parts of the crust. Beginning of melting in granites and granodiorites depends on the composition of plagioclase. The solidus temperatures of all granites and granodiorites containing plagioclases of intermediate composition are higher than those of the Ca-free alkali feldspar granite system and below those of the Na-free system discussed in this paper. The investigated system also provides information about the width of the P-T field in which zoisite can be stable together with an Al2SiO5 polymorph plus quartz and in which zoisite plus muscovite and quartz can be formed at the expense of anorthite and potassium feldspar. Addition of sodium will shift the boundaries of these fields to higher pressures (at given temperatures), because the pressure stability of albite is almost 10kbars above that of anorthite. Assemblages with zoisite+muscovite or zoisite+kyanite are often considered to be products of secondary or retrograde reactions. The P-T range in which hydration of granitic compositions may occur in nature is of special interest. The present paper documents the highest temperatures at which this hydration can occur in the earth's crust.

Field electron emission based on resonant tunneling in diamond/CoSi2/Si quantum well nanostructures

PubMed Central

Gu, Changzhi; Jiang, Xin; Lu, Wengang; Li, Junjie; Mantl, Siegfried

2012-01-01

Excellent field electron emission properties of a diamond/CoSi2/Si quantum well nanostructure are observed. The novel quantum well structure consists of high quality diamond emitters grown on bulk Si substrate with a nanosized epitaxial CoSi2 conducting interlayer. The results show that the main emission properties were modified by varying the CoSi2 thickness and that stable, low-field, high emission current and controlled electron emission can be obtained by using a high quality diamond film and a thicker CoSi2 interlayer. An electron resonant tunneling mechanism in this quantum well structure is suggested, and the tunneling is due to the long electron mean free path in the nanosized CoSi2 layer. This structure meets most of the requirements for development of vacuum micro/nanoelectronic devices and large-area cold cathodes for flat-panel displays. PMID:23082241

First principles study of crystal Si-doped Ge2Sb2Te5

NASA Astrophysics Data System (ADS)

Yan, Beibei; Yang, Fei; Chen, Tian; Wang, Minglei; Chang, Hong; Ke, Daoming; Dai, Yuehua

2017-02-01

Ge2Sb2Te5 (GST) and Si-doped GST with hexagonal structure were investigated by means of First-principles calcucations. We performed many kinds of doping types and studied the electronic properties of Si-doped GST with various Si concentrations. The theoretical calculations show that the lowest formation energy appeared when Si atoms substitute the Sb atoms (SiSb). With the increasing of Si concentrations from 10% to 30%, the impurity states arise around the Fermi level and the band gap of the SiSb structure broadens. Meanwhile, the doping supercell has the most favorable structure when the doping concentration keeps in 20%. The Si-doped GST exhibits p-type metallic characteristics more distinctly owing to the Fermi level moves toward the valence band. The Te p, d-orbitals electrons have greater impact on electronic properties than that of Te s-orbitals.

Field electron emission based on resonant tunneling in diamond/CoSi2/Si quantum well nanostructures.

PubMed

Gu, Changzhi; Jiang, Xin; Lu, Wengang; Li, Junjie; Mantl, Siegfried

2012-01-01

Excellent field electron emission properties of a diamond/CoSi(2)/Si quantum well nanostructure are observed. The novel quantum well structure consists of high quality diamond emitters grown on bulk Si substrate with a nanosized epitaxial CoSi(2) conducting interlayer. The results show that the main emission properties were modified by varying the CoSi(2) thickness and that stable, low-field, high emission current and controlled electron emission can be obtained by using a high quality diamond film and a thicker CoSi(2) interlayer. An electron resonant tunneling mechanism in this quantum well structure is suggested, and the tunneling is due to the long electron mean free path in the nanosized CoSi(2) layer. This structure meets most of the requirements for development of vacuum micro/nanoelectronic devices and large-area cold cathodes for flat-panel displays.

Structure and magnetism in Co/X, Fe/Si, and Fe/(FeSi) multilayers

NASA Astrophysics Data System (ADS)

Franklin, Michael Ray

Previous studies have shown that magnetic behavior in multilayers formed by repeating a bilayer unit comprised of a ferromagnetic layer and a non-magnetic spacer layer can be affected by small structural differences. For example, a macroscopic property such as giant magnetoresistance (GMR) is believed to depend significantly upon interfacial roughness. In this study, several complimentary structural probes were used to carefully characterize the structure of several sputtered multilayer systems-Co/Ag, Co/Cu, Co/Mo, Fe/Si, and Fe//[FeSi/]. X-ray diffraction (XRD) studies were used to examine the long-range structural order of the multilayers perpendicular to the plane of the layers. Transmission electron diffraction (TED) studies were used to probe the long-range order parallel to the layer plane. X-ray Absorption Fine Structure (XAFS) studies were used to determine the average local structural environment of the ferromagnetic atoms. For the Co/X systems, a simple correlation between crystal structure and saturation magnetization is discovered for the Co/Mo system. For the Fe/X systems, direct evidence of an Fe-silicide is found for the /[FeSi/] spacer layer but not for the Si spacer layer. Additionally, differences were observed in the magnetic behavior between the Fe in the nominally pure Fe layer and the Fe contained in the /[FeSi/] spacer layers.

The relation between residual stress, interfacial structure and the joint property in the SiO2f/SiO2-Nb joints.

PubMed

Ma, Qiang; Li, Zhuo Ran; Yang, Lai Shan; Lin, Jing Huang; Ba, Jin; Wang, Ze Yu; Qi, Jun Lei; Feng, Ji Cai

2017-06-23

In order to achieve a high-quality joint between SiO 2f /SiO 2 and metals, it is necessary to address the poor wettability of SiO 2f /SiO 2 and the high residual stress in SiO 2f /SiO 2 -Nb joint. Here, we simultaneously realize good wettability and low residual stress in SiO 2f /SiO 2 -Nb joint by combined method of HF etching treatment and Finite Element Analysis (FEA). After etching treatment, the wettability of E-SiO 2f /SiO 2 was improved, and the residual stress in the joint was decreased. In order to better control the quality of joints, efforts were made to understand the relationship between surface structure of E-SiO 2f /SiO 2 and residual stress in joint using FEA. Based on the direction of FEA results, a relationship between residual stress, surface structure and joint property in the brazed joints were investigated by experiments. As well the FEA and the brazing test results both realized the high-quality joint of E-SiO 2f /SiO 2 -Nb and the shear strength of the joint reached 61.9 MPa.

Effect of ultraviolet illumination on the charge trapping behaviour in SiN(x)/InP metal-insulator-semiconductor structure provided by plasma enhanced chemical vapour deposition

NASA Astrophysics Data System (ADS)

Kim, C. H.; Han, I. K.; Lee, J. I.; Kang, K. N.; Kwon, S. D.; Choe, B.; Park, H. L.; Her, J.; Lim, H.

1994-04-01

In this work, we investigated the effect of ultraviolet illumination, which is known to generate silicon dangling bonds, on the charge trapping behaviors, utilizing the constant capacitance technique in SiN(x)/InP structure where conventional PE CVD was used to form the SiN films on InP. We found different behaviors of this structure with ultraviolet illumination compared to the case of SiN(x)/Si structure. Both the Si-rich condition during PE CVD and ultraviolet illumination seem to not only increase the number of traps but also broaden the energy level of the traps in the insulator near the SiN(x)/InP interface. In all cases (N-rich, Si-rich, with and without ultraviolet illumination) the amphoteric nature of the traps has been observed, which is a characteristic of Si-dangling bonds. Also, the effect of ultraviolet photons on the interface of SiN(x)/InP, especially in correlation with the deficiency of phosphorus at the interface, is discussed considering the existence of net negative fixed charges at the interface.

High fluence swift heavy ion structure modification of the SiO2/Si interface and gate insulator in 65 nm MOSFETs

NASA Astrophysics Data System (ADS)

Ma, Yao; Gao, Bo; Gong, Min; Willis, Maureen; Yang, Zhimei; Guan, Mingyue; Li, Yun

2017-04-01

In this work, a study of the structure modification, induced by high fluence swift heavy ion radiation, of the SiO2/Si structures and gate oxide interface in commercial 65 nm MOSFETs is performed. A key and novel point in this study is the specific use of the transmission electron microscopy (TEM) technique instead of the conventional atomic force microscope (AFM) or scanning electron microscope (SEM) techniques which are typically performed following the chemical etching of the sample to observe the changes in the structure. Using this method we show that after radiation, the appearance of a clearly visible thin layer between the SiO2 and Si is observed presenting as a variation in the TEM intensity at the interface of the two materials. Through measuring the EDX line scans we reveal that the Si:O ratio changed and that this change can be attributed to the migration of the Si towards interface after the Si-O bond is destroyed by the swift heavy ions. For the 65 nm MOSFET sample, the silicon substrate, the SiON insulator and the poly-silicon gate interfaces become blurred under the same irradiation conditions.

Metastable solidification of hypereutectic Co 2Si-CoSi composition: Microstructural studies and in-situ observations

DOE PAGES

Wang, Yeqing; Gao, Jianrong; Kolbe, Matthias; ...

2017-09-18

Metastable solidification of undercooled Co 60Si 40 melts was investigated by microstructural studies and in-situ high-energy X-ray diffraction. Five solidification paths were identified. Three of them were observed at low undercoolings, which show uncoupled and coupled growth of stable β-Co 2Si and CoSi compounds. The other paths were observed at high undercoolings, which show peritectic and primary crystallization of a metastable Co 5Si 3 compound. The β-Co 2Si and Co 5Si 3 compounds crystallize into a hexagonal crystal structure and experience solid-state decomposition. Microstructure formation depends on solidification path. The coupled and uncoupled growth of the stable compounds produces amore » regular lamellar eutectic structure and an anomalous eutectic structure, respectively. The crystallization and solid-state decomposition of the metastable Co 5Si 3 compound brings about a fine-grained two-phase mixture, which represents another type of anomalous eutectic structure. Here, the results provide proof of two rare mechanisms of anomalous eutectic formation and shed light onto metastable phase relations in the undercooled region of the Co-Si system.« less

Reduction of structural defects in thick 4H-SiC epitaxial layers grown on 4° off-axis substrates

NASA Astrophysics Data System (ADS)

Yazdanfar, M.; Ivanov, I. G.; Pedersen, H.; Kordina, O.; Janzén, E.

2013-06-01

By carefully controlling the surface chemistry of the chemical vapor deposition process for silicon carbide (SiC), 100 μm thick epitaxial layers with excellent morphology were grown on 4° off-axis SiC substrates at growth rates exceeding 100 μm/h. In order to reduce the formation of step bunching and structural defects, mainly triangular defects, the effect of varying parameters such as growth temperature, C/Si ratio, Cl/Si ratio, Si/H2 ratio, and in situ pre-growth surface etching time are studied. It was found that an in-situ pre growth etch at growth temperature and pressure using 0.6% HCl in hydrogen for 12 min reduced the structural defects by etching preferentially on surface damages of the substrate surface. By then applying a slightly lower growth temperature of 1575 °C, a C/Si ratio of 0.8, and a Cl/Si ratio of 5, 100 μm thick, step-bunch free epitaxial layer with a minimum triangular defect density and excellent morphology could be grown, thus enabling SiC power device structures to be grown on 4° off axis SiC substrates.

Metastable solidification of hypereutectic Co 2Si-CoSi composition: Microstructural studies and in-situ observations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Yeqing; Gao, Jianrong; Kolbe, Matthias

Metastable solidification of undercooled Co 60Si 40 melts was investigated by microstructural studies and in-situ high-energy X-ray diffraction. Five solidification paths were identified. Three of them were observed at low undercoolings, which show uncoupled and coupled growth of stable β-Co 2Si and CoSi compounds. The other paths were observed at high undercoolings, which show peritectic and primary crystallization of a metastable Co 5Si 3 compound. The β-Co 2Si and Co 5Si 3 compounds crystallize into a hexagonal crystal structure and experience solid-state decomposition. Microstructure formation depends on solidification path. The coupled and uncoupled growth of the stable compounds produces amore » regular lamellar eutectic structure and an anomalous eutectic structure, respectively. The crystallization and solid-state decomposition of the metastable Co 5Si 3 compound brings about a fine-grained two-phase mixture, which represents another type of anomalous eutectic structure. Here, the results provide proof of two rare mechanisms of anomalous eutectic formation and shed light onto metastable phase relations in the undercooled region of the Co-Si system.« less

Internal structure of copper(II)-phthalocyanine thin films on SiO2/Si substrates investigated by grazing incidence x-ray reflectometry

NASA Astrophysics Data System (ADS)

Brieva, A. C.; Jenkins, T. E.; Jones, D. G.; Strössner, F.; Evans, D. A.; Clark, G. F.

2006-04-01

The internal structure of copper(II)-phthalocyanine (CuPc) thin films grown on SiO2/Si by organic molecular beam deposition has been studied by grazing incidence x-ray reflectometry (GIXR) and atomic force microscopy. The electronic density profile is consistent with a structure formed by successive monolayers of molecules in the α form with the b axis lying in the substrate surface plane. The authors present an electronic density profile model of CuPc films grown on SiO2/Si. The excellent agreement between the model and experimental data allows postdeposition monitoring of the internal structure of the CuPc films with the nondestructive GIXR technique, providing a tool for accurate control of CuPc growth on silicon-based substrates. In addition, since the experiments have been carried out ex situ, they show that these structures can endure ambient conditions.

Optimization of Silicon parameters as a betavoltaic battery: Comparison of Si p-n and Ni/Si Schottky barrier

NASA Astrophysics Data System (ADS)

Rahmani, Faezeh; Khosravinia, Hossein

2016-08-01

Theoretical studies on the optimization of Silicon (Si) parameters as the base of betavoltaic battery have been presented using Monte Carlo simulations and the state equations in semiconductor to obtain maximum power. Si with active area of 1 cm2 has been considered in p-n junction and Schottky barrier structure to collect the radiation induced-charge from 10 mCi cm-2 of Nickle-63 (63Ni) Source. The results show that the betavoltaic conversion efficiency in the Si p-n structure is about 2.7 times higher than that in the Ni/Si Schottky barrier structure.

Comparison of Ti-Based Coatings on Silicon Nanowires for Phosphopeptide Enrichment and Their Laser Assisted Desorption/Ionization Mass Spectrometry Detection

PubMed Central

Kurylo, Ievgen; Hamdi, Abderrahmane; Addad, Ahmed; Coffinier, Yannick

2017-01-01

We created different TiO2-based coatings on silicon nanowires (SiNWs) by using either thermal metallization or atomic layer deposition (ALD). The fabricated surfaces were characterized by X-ray photoelectron spectroscopy (XPS), energy dispersive X-ray spectroscopy (EDX), and reflectivity measurements. Surfaces with different TiO2 based coating thicknesses were then used for phosphopeptide enrichment and subsequent detection by laser desorption/ionization mass spectrometry (LDI-MS). Results showed that the best enrichment and LDI-MS detection were obtained using the silicon nanowires covered with 10 nm of oxidized Ti deposited by means of thermal evaporation. This sample was also able to perform phosphopeptide enrichment and MS detection from serum. PMID:28914806

Location and Electronic Nature of Phosphorus in the Si Nanocrystal − SiO2 System

PubMed Central

König, Dirk; Gutsch, Sebastian; Gnaser, Hubert; Wahl, Michael; Kopnarski, Michael; Göttlicher, Jörg; Steininger, Ralph; Zacharias, Margit; Hiller, Daniel

2015-01-01

Up to now, no consensus exists about the electronic nature of phosphorus (P) as donor for SiO2-embedded silicon nanocrystals (SiNCs). Here, we report on hybrid density functional theory (h-DFT) calculations of P in the SiNC/SiO2 system matching our experimental findings. Relevant P configurations within SiNCs, at SiNC surfaces, within the sub-oxide interface shell and in the SiO2 matrix were evaluated. Atom probe tomography (APT) and its statistical evaluation provide detailed spatial P distributions. For the first time, we obtain ionisation states of P atoms in the SiNC/SiO2 system at room temperature using X-ray absorption near edge structure (XANES) spectroscopy, eliminating structural artefacts due to sputtering as occurring in XPS. K energies of P in SiO2 and SiNC/SiO2 superlattices (SLs) were calibrated with non-degenerate P-doped Si wafers. results confirm measured core level energies, connecting and explaining XANES spectra with h-DFT electronic structures. While P can diffuse into SiNCs and predominantly resides on interstitial sites, its ionization probability is extremely low, rendering P unsuitable for introducing electrons into SiNCs embedded in SiO2. Increased sample conductivity and photoluminescence (PL) quenching previously assigned to ionized P donors originate from deep defect levels due to P. PMID:25997696

Crystal structure and equation of state of Fe-Si alloys at super-Earth core conditions

PubMed Central

Fratanduono, Dayne E.; Coppari, Federica; Newman, Matthew G.; Duffy, Thomas S.

2018-01-01

The high-pressure behavior of Fe alloys governs the interior structure and dynamics of super-Earths, rocky extrasolar planets that could be as much as 10 times more massive than Earth. In experiments reaching up to 1300 GPa, we combine laser-driven dynamic ramp compression with in situ x-ray diffraction to study the effect of composition on the crystal structure and density of Fe-Si alloys, a potential constituent of super-Earth cores. We find that Fe-Si alloy with 7 weight % (wt %) Si adopts the hexagonal close-packed structure over the measured pressure range, whereas Fe-15wt%Si is observed in a body-centered cubic structure. This study represents the first experimental determination of the density and crystal structure of Fe-Si alloys at pressures corresponding to the center of a ~3–Earth mass terrestrial planet. Our results allow for direct determination of the effects of light elements on core radius, density, and pressures for these planets. PMID:29707632

Structure Elucidation of Unknown Metabolites in Metabolomics by Combined NMR and MS/MS Prediction

DOE PAGES

Boiteau, Rene M.; Hoyt, David W.; Nicora, Carrie D.; ...

2018-01-17

Here, we introduce a cheminformatics approach that combines highly selective and orthogonal structure elucidation parameters; accurate mass, MS/MS (MS 2), and NMR in a single analysis platform to accurately identify unknown metabolites in untargeted studies. The approach starts with an unknown LC-MS feature, and then combines the experimental MS/MS and NMR information of the unknown to effectively filter the false positive candidate structures based on their predicted MS/MS and NMR spectra. We demonstrate the approach on a model mixture and then we identify an uncatalogued secondary metabolite in Arabidopsis thaliana. The NMR/MS 2 approach is well suited for discovery ofmore » new metabolites in plant extracts, microbes, soils, dissolved organic matter, food extracts, biofuels, and biomedical samples, facilitating the identification of metabolites that are not present in experimental NMR and MS metabolomics databases.« less

Structure Elucidation of Unknown Metabolites in Metabolomics by Combined NMR and MS/MS Prediction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boiteau, Rene M.; Hoyt, David W.; Nicora, Carrie D.

Here, we introduce a cheminformatics approach that combines highly selective and orthogonal structure elucidation parameters; accurate mass, MS/MS (MS 2), and NMR in a single analysis platform to accurately identify unknown metabolites in untargeted studies. The approach starts with an unknown LC-MS feature, and then combines the experimental MS/MS and NMR information of the unknown to effectively filter the false positive candidate structures based on their predicted MS/MS and NMR spectra. We demonstrate the approach on a model mixture and then we identify an uncatalogued secondary metabolite in Arabidopsis thaliana. The NMR/MS 2 approach is well suited for discovery ofmore » new metabolites in plant extracts, microbes, soils, dissolved organic matter, food extracts, biofuels, and biomedical samples, facilitating the identification of metabolites that are not present in experimental NMR and MS metabolomics databases.« less

Structure Elucidation of Unknown Metabolites in Metabolomics by Combined NMR and MS/MS Prediction

PubMed Central

Hoyt, David W.; Nicora, Carrie D.; Kinmonth-Schultz, Hannah A.; Ward, Joy K.

2018-01-01

We introduce a cheminformatics approach that combines highly selective and orthogonal structure elucidation parameters; accurate mass, MS/MS (MS2), and NMR into a single analysis platform to accurately identify unknown metabolites in untargeted studies. The approach starts with an unknown LC-MS feature, and then combines the experimental MS/MS and NMR information of the unknown to effectively filter out the false positive candidate structures based on their predicted MS/MS and NMR spectra. We demonstrate the approach on a model mixture, and then we identify an uncatalogued secondary metabolite in Arabidopsis thaliana. The NMR/MS2 approach is well suited to the discovery of new metabolites in plant extracts, microbes, soils, dissolved organic matter, food extracts, biofuels, and biomedical samples, facilitating the identification of metabolites that are not present in experimental NMR and MS metabolomics databases. PMID:29342073

Quantification of chemical elements in blood of patients affected by multiple sclerosis.

PubMed

Forte, Giovanni; Visconti, Andrea; Santucci, Simone; Ghazaryan, Anna; Figà-Talamanca, Lorenzo; Cannoni, Stefania; Bocca, Beatrice; Pino, Anna; Violante, Nicola; Alimonti, Alessandro; Salvetti, Marco; Ristori, Giovanni

2005-01-01

Although some studies suggested a link between exposure to trace elements and development of multiple sclerosis (MS), clear information on their role in the aetiology of MS is still lacking. In this study the concentrations of Al, Ba, Be, Bi, Ca, Cd, Co, Cr, Cu, Fe, Hg, Li, Mg, Mn, Mo, Ni, Pb, Sb, Si, Sn, Sr, Tl, V, W, Zn and Zr were determined in the blood of 60 patients with MS and 60 controls. Quantifications were performed by inductively coupled plasma (ICP) atomic emission spectrometry and sector field ICP mass spectrometry. When the two groups were compared, an increased level of Co, Cu and Ni and a decrement of Be, Fe, Hg, Mg, Mo, Pb and Zn in blood of patients were observed. In addition, the discriminant analysis pointed out that Cu, Be, Hg, Co and Mo were able to discriminate between MS patients and controls (92.5% of cases correctly classified).

SFG analysis of the molecular structures at the surfaces and buried interfaces of PECVD ultralow-dielectric constant pSiCOH

NASA Astrophysics Data System (ADS)

Zhang, Xiaoxian; Myers, John N.; Huang, Huai; Shobha, Hosadurga; Chen, Zhan; Grill, Alfred

2016-02-01

PECVD deposited porous SiCOH with ultralow dielectric constant has been successfully integrated as the insulator in advanced interconnects to decrease the RC delay. The effects of NH3 plasma treatment and the effectiveness of the dielectric repair on molecular structures at the surface and buried interface of a pSiCOH film deposited on top of a SiCNH film on a Si wafer were fully characterized using sum frequency generation vibrational spectroscopy (SFG), supplemented by X-ray photoelectron spectroscopy. After exposure to NH3 plasma for 18 s, about 40% of the methyl groups were removed from the pSiCOH surface, and the average orientation of surface methyl groups tilted more towards the surface. The repair method used here effectively repaired the molecular structures at the pSiCOH surface but did not totally recover the entire plasma-damaged layer. Additionally, simulated SFG spectra with various average orientations of methyl groups at the SiCNH/pSiCOH buried interface were compared with the experimental SFG spectra collected using three different laser input angles to determine the molecular structural information at the SiCNH/pSiCOH buried interface after NH3 plasma treatment and repair. The molecular structures including the coverage and the average orientation of methyl groups at the buried interface were found to be unchanged by NH3 plasma treatment and repair.

The Importance of Slag Structure to Boron Removal from Silicon during the Refining Process: Insights from Raman and Nuclear Magnetic Resonance Spectroscopy Study

NASA Astrophysics Data System (ADS)

Qian, Guoyu; Wang, Zhi; Gong, Xuzhong; Sun, Liyuan

2017-12-01

Slag structure plays an important role in determining the relative ease of boron removal from silicon. Correlation between slag structure and boron removal thermodynamics was experimentally studied by Raman and nuclear magnetic resonance (NMR) spectroscopy using CaO-SiO2-Na2O slags with different optical basicities (0.6 to 0.71). Optimization of slag depolymerization leads to efficient removal of boron. The extent of nonbridged oxygen content (NBO/T) and boron removal gradually increased with an increase in optical basicity from 0.6 to 0.66: B2O3 derived from boron oxidation captured nonbridging oxygens of Q 0(Si), Q 1(Si), and Q 2(Si), and was incorporated into the silicate network in the form of Q 3(Si and B). When optical basicity increased to 0.71, NBO/T rapidly increased and boron removal decreased considerably. Quick depolymerization of Q 3(Si and B) deteriorated the stability of boron. Various structural forms of boron in the silicate network were successfully detected: the BO3 trihedrons [3]B-3Si, [3]B-2Si-1NBO, and BO3 (nonring), and the BO4 tetrahedrons BO4 (1B, 3Si) and BO4 (0B, 4Si). BO4 (1B, 3Si) was the main structure contributing to the increase of boron capacity; BO3 (nonring), detected under higher optical basicity conditions, may cause deterioration of boron removal by suppressing its oxidation.

Microcrystalline silicon growth for heterojunction solar cells

NASA Technical Reports Server (NTRS)

Iles, P. A.; Leung, D. C.; Fang, P. H.

1983-01-01

A total of sixteen runs of e-beam vacuum deposition of p type microcrystalline Si (m-Si) films were attempted on n type or p-n junction single crystalline Si (C-Si) substrates. The m-Si film thickness varied from .15 to .7 um and metal contacts were deposited after plasma hydrogenation. The p-m-Si on n-c-Si structure had a Voc of up to 490 m V while no Voc improvements were observed in the p-m-Si on p-n C-Si structure against p-n controls. Both CFF and Jsc were lower than control. Possible problem areas were interfaced between m-Si and C-si and the back contacts due to lack of sintering for fear of dehydrogenation.

Interfacial structure of two-dimensional epitaxial Er silicide on Si(111)

NASA Astrophysics Data System (ADS)

Tuilier, M. H.; Wetzel, P.; Pirri, C.; Bolmont, D.; Gewinner, G.

1994-07-01

Auger-electron diffraction (AED) and surface-extended x-ray-absorption fine structure (SEXAFS) have been used to obtain a complete description of the atomic structure of a two-dimensional epitaxial Er silicide layer on Si(111). AED reveals that a monolayer of Er is located underneath a buckled Si double layer. The relevant Er-Si interlayer spacings are determined by means of single scattering cluster simulations and a R-factor analysis to be 1.92+/-0.05 Å to the first and 2.70+/-0.05 Å to the second Si top layer. Er near-neighbor bond lengths and coordination numbers are obtained independently from polarization-dependent SEXAFS. The SEXAFS data, when combined with the Si top-layer geometry inferred from AED, permit the determination of the atomic positions at the silicide/Si(111) interface. The Er is found to reside in relaxed T4 sites of Si(111) with a single Er-Si distance of 3.09+/-0.04 Å to the first- and second-layer Si atoms of the substrate.

The structure study of thin semiconductor and dielectric films by diffraction of synchrotron radiation

NASA Astrophysics Data System (ADS)

Yurjev, G. S.; Fainer, N. I.; Maximovskiy, E. A.; Kosinova, M. L.; Sheromov, M. A.; Rumyantsev, Yu. M.

1998-02-01

The structure of semiconductor and dielectric thin (100-300 nm) films was studied by diffraction of synchrotron radiation. The diffraction experiments were performed at both the station "Anomalous scattering" of the storage ring synchrotron facility VEPP-3 and DRON-4 diffractometer. The structure of CdS thin films grown on fused silica, single Si(100) and InP(100) substrates was investigated. The structure of Cu 2S thin films grown on fused silica, single Si(100) substrates and CdS/Si(100)-heterostructure was studied. The structure study was performed on Si 3N 4 films grown on GaAs(100) substrates. The structure of thin BN layers grown on single Si(100) substrates was studied. It was established that structural parameters of above-mentioned thin films coincide on the parameters of JCPDS International Centre for Diffraction Data.

Micromachined poly-SiGe bolometer arrays for infrared imaging and spectroscopy

NASA Astrophysics Data System (ADS)

Leonov, Vladimir N.; Perova, Natalia A.; De Moor, Piet; Du Bois, Bert; Goessens, Claus; Grietens, Bob; Verbist, Agnes; Van Hoof, Chris A.; Vermeiren, Jan P.

2003-03-01

The state-of-the-art characteristics of micromachined polycrystalline SiGe microbolometer arrays are reported. An average NETD of 85 mK at a time constant of 14 ms is already achievable on typical self-supported 50 μm pixels in a linear 64-element array. In order to reach these values, the design optimization was performed based on the performance characteristics of linear 32-, 64- and 128-element arrays of 50-, 60- and 75-μm-pixel bolometers on several detector lots. The infrared and thermal modeling accounting for the read-out properties and self-heating effect in bolometers resulted in improved designs and competitive NETD values of 80 mK on 50 μm pixels in a 160x128 format at standard frame rates and f-number of 1. In parallel, the TCR-to-1/f noise ratio and the mechanical design of the pixels were improved making poly-SiGe a good candidate for a low-cost uncooled thermal array. The technological CMOS-based process possesses an attractive balance between characteristics and price, and allows the micromachining of thin structures, less than 0.2 μm. The resistance and TCR non-uniformity with σ/μ better than 0.2% combined with 99.93% yield are demonstrated. The first lots of fully processed linear arrays have already come from the IMEC process line and the results of characterization are presented. Next year, the first linear and small 2D arrays will be introduced on the market.

Zintl phase with a layered network structure, KSi/sub 3/As/sub 3/

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hurng, W.M.; Corbett, J.D.; Wang, S.L.

The title compound is obtained in high yield from a two-step reaction of K with Si in sealed tantalum and then of that product with As in silica at 800-900/sup 0/C. Ion exchange with NaI at 500 /sup 0/C gives the sodium derivative. The structure of the purple KSi/sub 3/A/sub 3/ crystals has been established by x-ray diffraction means at room temperature (orthorhombic, space group Pbam, Z = 4, a = 10.010 (4) A, b = 19.139 (8) A, c = 3.664 (1) A, R = 0.044 for 674 reflections, 2theta < 55/sup 0/). The infinity /sup 2/(Si/sub 3/As/sub 3/)/supmore » -/ anion layers may be generated by Si-Si bonding between puckered Si/sub 3/As/sub 3/(As) rings to form chains followed by side-by-side condensation of these to sheets. The structure may be derived from the layered structure of SiAs in a concerted way through reductive ring opening and Si-Si bond formation. Comparisons are also made with more reduced Si-As anion chains and clusters and with the closely related Li/sub 3/NaSi/sub 6/. K/sub 2/SiAs/sub 2/ has also been synthesized and shown to be isostructural with K/sub 2/SiP/sub 2/. 20 references, 4 figures, 4 tables.« less

Structural transformation of Si-rich SiNx film on Si via swift heavy ions irradiation

NASA Astrophysics Data System (ADS)

Murzalinov, D.; Akilbekov, A.; Dauletbekova, A.; Vlasukova, L.; Makhavikov, M.; Zdorovets, M.

2018-03-01

The effects of 200 MeV-Xe+ irradiation with fluencies of (109–1014) cm‑2 on the phase-structural transformation of Si-rich SiNx film deposited on Si substrate by low-pressure chemical vapor deposition have been reported. It has been shown from Raman scattering data that the swift heavy ions irradiation results in the dissolution of amorphous Si nanoclusters in nitride matrix. It has been shown, too, that the swift heavy ion irradiation leads to quenching a visual photoluminescence from nitride films.

Advanced Passivation Technology and Loss Factor Minimization for High Efficiency Solar Cells.

PubMed

Park, Cheolmin; Balaji, Nagarajan; Jung, Sungwook; Choi, Jaewoo; Ju, Minkyu; Lee, Seunghwan; Kim, Jungmo; Bong, Sungjae; Chung, Sungyoun; Lee, Youn-Jung; Yi, Junsin

2015-10-01

High-efficiency Si solar cells have attracted great attention from researchers, scientists, photovoltaic (PV) industry engineers for the past few decades. With thin wafers, surface passivation becomes necessary to increase the solar cells efficiency by overcoming several induced effects due to associated crystal defects and impurities of c-Si. This paper discusses suitable passivation schemes and optimization techniques to achieve high efficiency at low cost. SiNx film was optimized with higher transmittance and reduced recombination for using as an effective antireflection and passivation layer to attain higher solar cell efficiencies. The higher band gap increased the transmittance with reduced defect states that persisted at 1.68 and 1.80 eV in SiNx films. The thermal stability of SiN (Si-rich)/SiN (N-rich) stacks was also studied. Si-rich SiN with a refractive index of 2.7 was used as a passivation layer and N-rich SiN with a refractive index of 2.1 was used for thermal stability. An implied Voc of 720 mV with a stable lifetime of 1.5 ms was obtained for the stack layer after firing. Si-N and Si-H bonding concentration was analyzed by FTIR for the correlation of thermally stable passivation mechanism. The passivation property of spin coated Al2O3 films was also investigated. An effective surface recombination velocity of 55 cm/s with a high density of negative fixed charges (Qf) on the order of 9 x 10(11) cm(-2) was detected in Al2O3 films.

K-Band Si/SiGe HBT MMIC Amplifiers Using Lumped Passive Components with a Micromachined Structure

NASA Technical Reports Server (NTRS)

Lu, Liang-Hung; Rieh, Jae-Sung; Bhattacharya, Pallab; Katechi, Linda P. B.; Croke, E. T.; Ponchak, George E.; Alterovitz, Samuel A.

2000-01-01

Using Si/SiGe heterojunction bipolar transistors with a maximum oscillation frequency of 52 GHz and a novel structure for passive components, a two-stage K-band lumped-element amplifier has been designed and fabricated on high-resistivity Si substrates. The chip size including biasing and RF chokes is 0.92 x 0.67 sq mm.

Experience melting through the Earth's lower mantle via LH-DAC experiments on MgO-SiO2 and CaO-MgO-SiO2 systems

NASA Astrophysics Data System (ADS)

Baron, Marzena A.; Lord, Oliver T.; Walter, Michael J.; Trønnes, Reidar G.

2015-04-01

The large low shear-wave velocity provinces (LLSVPs) and ultra-low velocity zones (ULVZs) of the lowermost mantle [1] are likely characterized by distinct chemical compositions, combined with temperature anomalies. The heterogeneities may have originated by fractional crystallization of the magma ocean during the earliest history of the Earth [2,3] and/or the continued accretion at the CMB of subducted basaltic oceanic crust [4,5]. These structures and their properties control the distribution and magnitude of the heat flow at the CMB and therefore the convective dynamics and evolution of the whole Earth. To determine the properties of these structures and thus interpret the seismic results, a good understanding of the melting phase relations of relevant basaltic and peridotitic compositions are required throughout the mantle pressure range. The melting phase relations of lower mantle materials are only crudely known. Recent experiments on various natural peridotitic and basaltic compositions [6-8] have given wide ranges of solidus and liquidus temperatures at lower mantle pressures. The melting relations for MgO, MgSiO3 and compositions along the MgO-SiO2 join from ab initio theory [e.g. 9,10] is broadly consistent with a thermodynamic model for eutectic melt compositions through the lower mantle based on melting experiments in the MgO-SiO2 system at 16-26 GPa [3]. We have performed a systematic study of the melting phase relations of analogues for peridotitic mantle and subducted basaltic crust in simple binary and ternary systems that capture the major mineralogy of Earth's lower mantle, using the laser-heated diamond anvil cell (LH-DAC) technique at 25-100 GPa. We determined the eutectic melting temperatures involving the following liquidus mineral assemblages: 1. bridgmanite (bm) + periclase (pc) and bm + silica in the system MgO-SiO2 (MS), corresponding to model peridotite and basalt compositions 2. bm + pc + Ca-perovskite (cpv) and bm + silica + cpv in the system CaO-MgO-SiO2 (CMS). The eutectic melting temperatures (Te) were determined by multi-chamber DAC-experiments on near-eutectic compositions [3,9]. Ultra-fine W-powder mixed into the samples absorbed the laser energy. The samples were heated at a rate of 500-1500 K/min by increasing the laser power. More than 75-90% eutectic melt is produced at the the solidus, resulting in rapid aggregation of the W-powder and inefficient laser energy absorption. The resulting plateau in the temperature versus power curve is interpreted as Te. Our preliminary results show an expected positive p-Te correlation, with lower Te for the CMS-system. The dTe/dp slope for the bm-silica eutectic is lower than for the bm-pc eutectic in the MS-system. The experimental results agree with the DFT-studies and thermodynamic models. We have also developed a novel technique for micro-fabrication of metal-encapsulated samples (Re, W, Mo), to investigate more precisely the melting phase relations in the lower mantle pressure range. The metal-covered, 20 μm thick sample disc, placed between thermal insulation layers in the DAC, will be laser-heated at the two flat surfaces, providing low thermal gradients and preventing reaction between the sample and the pressure medium. [1] Lay and Garnero (2007, AGU Monograph); [2] Labrosse et al (2007, Nature); [3] Liebske and Frost (2012, EPSL); [4] Elkins-Tanton (2012, Ann Rev Earth Planet Sci); [5] Hirose et al (1999, Nature); [6] Fiquet et al (2010, Science); [7] Andrault et al (2011, EPSL); [8] Andrault et al (2014, Science); [9] de Koker et al (2013, EPSL); [10] de Koker and Strixrude (2009, Geophys J Int).

Polymorphism in the Sc 2Si 2O 7-Y 2Si 2O 7 system

NASA Astrophysics Data System (ADS)

Escudero, Alberto; Alba, María D.; Becerro, Ana. I.

2007-04-01

This paper examines the structural changes with temperature and composition in the Sc 2Si 2O 7-Y 2Si 2O 7 system; members of this system are expected to form in the intergranular region of Si 3N 4 and SiC structural ceramics when sintered with the aid of Y 2O 3 and Sc 2O 3 mixtures. A set of different compositions have been synthesized using the sol-gel method to obtain a xerogel, which has been calcined at temperatures between 1300 and 1750 °C during different times. The temperature-composition diagram of the system, obtained from powder XRD data, is dominated by the β- RE2Si 2O 7 polymorph, with γ- RE2Si 2O 7 and δ- RE2Si 2O 7 showing very reduced stability fields. Isotherms at 1300 and 1600 °C have been analysed in detail to evaluate the solid solubility of the components. Although, the XRD data show a complete solid solubility of β-Sc 2Si 2O 7 in β-Y 2Si 2O 7 at 1300 °C, the 29Si MAS-NMR spectra indicate a local structural change at x ca. 1.15 (Sc 2-xY xSi 2O 7) related to the configuration of the Si tetrahedron, which does not affect the long-range order of the β- RE2Si 2O 7 structure. Finally, it is interesting to note that, although Sc 2Si 2O 7 shows a unique stable polymorph ( β), Sc 3+ is able to replace Y 3+ in γ-Y 2Si 2O 7 in the compositional range 1.86⩽ x⩽2 (where x is Sc 2-xY xSi 2O 7) as well as in δ-Y 2Si 2O 7 for compositions much closer to the pure Y 2Si 2O 7.

Synthesis, structure, and polymorphism of A{sub 3}LnSi{sub 2}O{sub 7} (A=Na, K; Ln=Sm, Ho, Yb)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Latshaw, Allison M.; Yeon, Jeongho; Smith, Mark D.

2016-03-15

Four new members of the A{sub 3}LnSi{sub 2}O{sub 7} family, K{sub 3}SmSi{sub 2}O{sub 7}, Na{sub 3}HoSi{sub 2}O{sub 7}, and two polymorphs of Na{sub 3}YbSi{sub 2}O{sub 7}, are reported. K{sub 3}SmSi{sub 2}O{sub 7} crystallizes in the hexagonal space group P6{sub 3}/mcm, Na{sub 3}HoSi{sub 2}O{sub 7} and Na{sub 3}YbSi{sub 2}O{sub 7} crystallize in the hexagonal space group P6{sub 3}/m, and Na{sub 3}YbSi{sub 2}O{sub 7} crystallizes in the trigonal space group P31c. The Na{sub 3}YbSi{sub 2}O{sub 7} composition that crystallizes in P31c is a new structure type. The magnetic properties for the Ho and Yb analogs are reported. - Graphical abstract: The differentmore » structure types and polymorphs of the A{sub 3}LnSi{sub 2}O{sub 7} family reported. - Highlights: • Four new members of the A{sub 3}LnSi{sub 2}O{sub 7} family are presented. • Na{sub 3}YbSi{sub 2}O{sub 7} is reported as two polymorphs, one is a new structure type. • Crystals synthesized out of molten fluoride fluxes.« less

Speciation and phytoavailability of lead and antimony in a small arms range soil amended with mussel shell, cow bone and biochar: EXAFS spectroscopy and chemical extractions.

PubMed

Ahmad, Mahtab; Lee, Sang Soo; Lim, Jung Eun; Lee, Sung-Eun; Cho, Ju Sik; Moon, Deok Hyun; Hashimoto, Yohey; Ok, Yong Sik

2014-01-01

Mussel shell (MS), cow bone (CB) and biochar (BC) were selected to immobilize metals in an army firing range soil. Amendments were applied at 5% (wt) and their efficacies were determined after 175 d. For metal phytoavailability test, maize (Zea mays L.) plants were cultivated for 3weeks. Results showed that all amendments decreased the exchangeable Pb by up to 99% in planted/unplanted soils. Contrarily, exchangeable Sb were increased in the MS- and CB-amended soils. The rise in soil pH (~1 unit) by the amendments affected Pb and Sb mobility in soils. Bioavailability of Pb to maize was reduced by up to 71% in the amended soils. The Sb uptake to maize was decreased by up to 53.44% in the BC-amended soil. Sequential chemical extractions showed the transformation of easily available Pb to stable residual form with the amendment treatments. Scanning electron microscopic elemental dot mapping revealed the Pb association with Al and Si in the MS-amended soil and that with P in the CB- and BC-amended soils. Additionally, the extended X-ray absorption fine structure spectroscopic analysis indicated the transformation of organic bound Pb in unamended control soil to relatively more stable Pb-hydroxide (Ksp=10(-17.1)), chloropyromorphite (Ksp=10(-84.4)) and Pb-phosphate (Ksp=10(-23.8)) in soils amended with MS, CB and BC, respectively. Application of BC was the best in decreasing the phytoavailability of Pb and Sb in the studied army firing range soil. Copyright © 2013 Elsevier Ltd. All rights reserved.

Robust diamond-like Fe-Si network in the zero-strain Na xFeSiO 4 cathode

DOE PAGES

Ye, Zhuo; Zhao, Xin; Li, Shouding; ...

2016-07-14

Sodium orthosilicates Na 2 MSiO 4 ( M denotes transition metals) have attracted much attention due to the possibility of exchanging two electrons per formula unit. In this work, we report a group of sodium iron orthosilicates Na 2FeSiO 4. Their crystal structures are characterized by a diamond-like Fe-Si network. The Fe-Si network is quite robust against the charge/discharge process, which explains the high structural stability observed in experiment. Furthermore, using the density functional theory within the GGA + U framework and X-ray diffraction studies, the crystal structures and structural stabilities during the sodium extraction/re-insertion process are systematically investigated.

Two-dimensional Si nanosheets with local hexagonal structure on a MoS(2) surface.

PubMed

Chiappe, Daniele; Scalise, Emilio; Cinquanta, Eugenio; Grazianetti, Carlo; van den Broek, Bas; Fanciulli, Marco; Houssa, Michel; Molle, Alessandro

2014-04-02

The structural and electronic properties of a Si nanosheet (NS) grown onto a MoS2 substrate by means of molecular beam epitaxy are assessed. Epitaxially grown Si is shown to adapt to the trigonal prismatic surface lattice of MoS2 by forming two-dimensional nanodomains. The Si layer structure is distinguished from the underlying MoS2 surface structure. The local electronic properties of the Si nanosheet are dictated by the atomistic arrangement of the layer and unlike the MoS2 hosting substrate they are qualified by a gap-less density of states. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structure and Crystallization of Alkaline-Earth Aluminosilicate Glasses: Prevention of the Alumina-Avoidance Principle.

PubMed

Allu, Amarnath R; Gaddam, Anuraag; Ganisetti, Sudheer; Balaji, Sathravada; Siegel, Renée; Mather, Glenn C; Fabian, Margit; Pascual, Maria J; Ditaranto, Nicoletta; Milius, Wolfgang; Senker, Jürgen; Agarkov, Dmitrii A; Kharton, Vladislav V; Ferreira, José M F

2018-05-03

Aluminosilicate glasses are considered to follow the Al-avoidance principle, which states that Al-O-Al linkages are energetically less favorable, such that, if there is a possibility for Si-O-Al linkages to occur in a glass composition, Al-O-Al linkages are not formed. The current paper shows that breaching of the Al-avoidance principle is essential for understanding the distribution of network-forming AlO 4 and SiO 4 structural units in alkaline-earth aluminosilicate glasses. The present study proposes a new modified random network (NMRN) model, which accepts Al-O-Al linkages for aluminosilicate glasses. The NMRN model consists of two regions, a network structure region (NS-Region) composed of well-separated homonuclear and heteronuclear framework species and a channel region (C-Region) of nonbridging oxygens (NBOs) and nonframework cations. The NMRN model accounts for the structural changes and devitrification behavior of aluminosilicate glasses. A parent Ca- and Al-rich melilite-based CaO-MgO-Al 2 O 3 -SiO 2 (CMAS) glass composition was modified by substituting MgO for CaO and SiO 2 for Al 2 O 3 to understand variations in the distribution of network-forming structural units in the NS-region and devitrification behavior upon heat treating. The structural features of the glass and glass-ceramics (GCs) were meticulously assessed by advanced characterization techniques including neutron diffraction (ND), powder X-ray diffraction (XRD), 29 Si and 27 Al magic angle spinning (MAS)-nuclear magnetic resonance (NMR), and in situ Raman spectroscopy. ND revealed the formation of SiO 4 and AlO 4 tetrahedral units in all the glass compositions. Simulations of chemical glass compositions based on deconvolution of 29 Si MAS NMR spectral analysis indicate the preferred formation of Si-O-Al over Si-O-Si and Al-O-Al linkages and the presence of a high concentration of nonbridging oxygens leading to the formation of a separate NS-region containing both SiO 4 and AlO 4 tetrahedra (Si/Al) (heteronuclear) in addition to the presence of Al [4] -O-Al [4] bonds; this region coexists with a predominantly SiO 4 -containing (homonuclear) NS-region. In GCs, obtained after heat treatment at 850 °C for 250 h, the formation of crystalline phases, as revealed from Rietveld refinement of XRD data, may be understood on the basis of the distribution of SiO 4 and AlO 4 structural units in the NS-region. The in situ Raman spectra of the GCs confirmed the formation of a Si/Al structural region, as well as indicating interaction between the Al/Si region and SiO 4 -rich region at higher temperatures, leading to the formation of additional crystalline phases.

Correlated topographic and structural modification on Si surface during multi-shot femtosecond laser exposures: Si nanopolymorphs as potential local structural nanomarkers

NASA Astrophysics Data System (ADS)

Ionin, A. A.; Kudryashov, S. I.; Levchenko, A. O.; Nguyen, L. V.; Saraeva, I. N.; Rudenko, A. A.; Ageev, E. I.; Potorochin, D. V.; Veiko, V. P.; Borisov, E. V.; Pankin, D. V.; Kirilenko, D. A.; Brunkov, P. N.

2017-09-01

High-pressure Si-XII and Si-III nanocrystalline polymorphs, as well as amorphous Si phase, appear consequently during multi-shot femtosecond-laser exposure of crystalline Si wafer surface above its spallation threshold along with permanently developing quasi-regular surface texture (ripples, microcones), residual hydrostatic stresses and subsurface damage, which are characterized by scanning and transmission electron microscopy, as well as by Raman micro-spectroscopy. The consequent yields of these structural Si phases indicate not only their spatially different appearance, but also potentially enable to track nanoscale, transient laser-induced high-pressure, high-temperature physical processes - local variation of ablation mechanism and rate, pressurization/pressure release, melting/resolidification, amorphization, annealing - versus cumulative laser exposure and the related development of the surface topography.

Structure determination of the ordered (2 × 1) phase of NiSi surface alloy on Ni(111) using low-energy electron diffraction

NASA Astrophysics Data System (ADS)

Sazzadur Rahman, Md.; Amirul Islam, Md.; Saha, Bidyut Baran; Nakagawa, Takeshi; Mizuno, Seigi

2015-12-01

The (2 × 1) structure of the two-dimensional nickel silicide surface alloy on Ni(111) was investigated using quantitative low-energy electron diffraction analysis. The unit cell of the determined silicide structure contains one Si and one Ni atom, corresponding to a chemical formula of NiSi. The Si atoms adopt substitutional face-centered cubic hollow sites on the Ni(111) substrate. The Ni-Si bond lengths were determined to be 2.37 and 2.34 Å. Both the alloy surface and the underlying first layers of Ni atoms exhibit slight corrugation. The Ni-Si interlayer distance is smaller than the Ni-Ni interlayer distance, which indicates that Si atoms and underlying Ni atoms strongly interact.

First principles investigations of the electronic structure and chemical bonding of U3Si2C2 - A uranium silicide-carbide with the rare [SiC] unit

NASA Astrophysics Data System (ADS)

Matar, S. F.; Pöttgen, R.

2012-10-01

The electronic structure of U3Si2C2, with the rare [SiC] unit is examined from ab initio with an assessment of the properties of chemical bonding. We show that plain GGA fails describing the experimental lattice parameters and the electronic structure. A better agreement with experiment (crystal determination and magnetic properties) is obtained with the GGA + U method and U = 4 eV. The energy-volume equation of state and the set of elastic constants are obtained showing incompressibility along the c-axis with U-C-Si alignment and a brittle material. Bonding of U1 and U2 selectively with Si and C and Si-C bonds are remarkable

Ordered structure of FeGe2 formed during solid-phase epitaxy

NASA Astrophysics Data System (ADS)

Jenichen, B.; Hanke, M.; Gaucher, S.; Trampert, A.; Herfort, J.; Kirmse, H.; Haas, B.; Willinger, E.; Huang, X.; Erwin, S. C.

2018-05-01

Fe3Si /Ge (Fe ,Si ) /Fe3Si thin-film stacks were grown by a combination of molecular beam epitaxy and solid-phase epitaxy (Ge on Fe3Si ). The stacks were analyzed using electron microscopy, electron diffraction, and synchrotron x-ray diffraction. The Ge(Fe,Si) films crystallize in the well-oriented, layered tetragonal structure FeGe2 with space group P 4 m m . This kind of structure does not exist as a bulk material and is stabilized by the solid-phase epitaxy of Ge on Fe3Si . We interpret this as an ordering phenomenon induced by minimization of the elastic energy of the epitaxial film.

Analysis of structural changes in active site of luciferase adsorbed on nanofabricated hydrophilic Si surface by molecular-dynamics simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nishiyama, Katsuhiko; Hoshino, Tadatsugu; Graduate School of Pharmaceutical Sciences, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522

2007-05-21

Interactions between luciferase and a nanofabricated hydrophilic Si surface were explored by molecular-dynamics simulations. The structural changes in the active-site residues, the residues affecting the luciferin binding, and the residues affecting the bioluminescence color were smaller on the nanofabricated hydrophilic Si surface than on both a hydrophobic Si surface and a hydrophilic Si surface. The nanofabrication and wet-treatment techniques are expected to prevent the decrease in activity of luciferase on the Si surface.

Lowest-energy structures and electronic properties of Na-Si binary clusters from ab initio global search.

PubMed

Sai, Linwei; Tang, Lingli; Zhao, Jijun; Wang, Jun; Kumar, Vijay

2011-11-14

The ground state structures of neutral and anionic clusters of Na(n)Si(m) (1 ≤ n ≤ 3, 1 ≤ m ≤ 11) have been determined using genetic algorithm incorporated in first principles total energy code. The size dependence of the structural and electronic properties is discussed in detail. It is found that the lowest-energy structures of Na(n)Si(m) clusters resemble those of the pure Si clusters. Interestingly, Na atoms in neutral Na(n)Si(m) clusters are usually well separated by the Si(m) skeleton, whereas Na atoms can form Na-Na bonds in some anionic clusters. The ionization potentials, adiabatic electron affinities, and photoelectron spectra are also calculated and the results compare well with the experimental data. © 2011 American Institute of Physics

Restoring defect structures in 3C-SiC/Si (001) from spherical aberration-corrected high-resolution transmission electron microscope images by means of deconvolution processing.

PubMed

Wen, C; Wan, W; Li, F H; Tang, D

2015-04-01

The [110] cross-sectional samples of 3C-SiC/Si (001) were observed with a spherical aberration-corrected 300 kV high-resolution transmission electron microscope. Two images taken not close to the Scherzer focus condition and not representing the projected structures intuitively were utilized for performing the deconvolution. The principle and procedure of image deconvolution and atomic sort recognition are summarized. The defect structure restoration together with the recognition of Si and C atoms from the experimental images has been illustrated. The structure maps of an intrinsic stacking fault in the area of SiC, and of Lomer and 60° shuffle dislocations at the interface have been obtained at atomic level. Copyright © 2015 Elsevier Ltd. All rights reserved.

An Exceptionally Narrow Band-Gap (∼4 eV) Silicate Predicted in the Cubic Perovskite Structure: BaSiO3.

PubMed

Hiramatsu, Hidenori; Yusa, Hitoshi; Igarashi, Ryo; Ohishi, Yasuo; Kamiya, Toshio; Hosono, Hideo

2017-09-05

The electronic structures of 35 A 2+ B 4+ O 3 ternary cubic perovskite oxides, including their hypothetical chemical compositions, were calculated by a hybrid functional method with the expectation that peculiar electronic structures and unique carrier transport properties suitable for semiconductor applications would be hidden in high-symmetry cubic perovskite oxides. We found unique electronic structures of Si-based oxides (A = Mg, Ca, Sr, and Ba, and B = Si). In particular, the unreported cubic BaSiO 3 has a very narrow band gap (4.1 eV) compared with conventional nontransition-metal silicates (e.g., ∼9 eV for SiO 2 and the calculated value of 7.3 eV for orthorhombic BaSiO 3 ) and a small electron effective mass (0.3m 0 , where m 0 is the free electron rest mass). The narrow band gap is ascribed to the nonbonding state of Si 3s and the weakened Madelung potential. The existence of the predicted cubic perovskite structure of BaSiO 3 was experimentally verified by applying a high pressure of 141 GPa. The present finding indicates that it could be possible to develop a new transparent oxide semiconductor of earth abundant silicates if the symmetry of its crystal structure is appropriately chosen. Cubic BaSiO 3 is a candidate for high-performance oxide semiconductors if this phase can be stabilized at room temperature and ambient pressure.

Composition and formations conditions of andalusite-kyanite-sillimanite pegmatoid segregstions in metamorphic rocks of the Tseel block (Mongolian Altai)

NASA Astrophysics Data System (ADS)

Sukhorukov, Vasiliy

2010-05-01

Quartz veins and pegmatoid segregations containing polymorphous Al2SiO5 modifications often occur in metamorphic complexes. Metapelites abound in various combinations of two Al2SiO5 polymorphs, e.g., andalusite + sillimanite and sillimanite + kyanite (Kerrick, 1990). Rocks with three polymorphs are much scarcer; they result from subsequent crystallization during progressive metamorphism or combined regional and contact metamorphism or from metastable crystallization (Kerrick, 1990). Study of veins containing various Al2SiO5 modifications can give insight into the PT-conditions of metamorphism and their temporal changes. The Tsel block is localized in the basins of the Tseliyn, Hudjertiyn, Sharin, and Deresetuin Rivers and is part of the Hercynides structure on the southern flank of Mongolian Altay. Pegmatoid segregations containing polymorphous Al2SiO5 modifications were discovered in the vicinity of the western contact of one of the largest basic-rock massifs, Buren-Hairhan.They are hosted by schists bearing paragenesis Bt + Ms + St + Grt + Ky + Sill + And + Fibr + Pl + Qtz. Visual examination of the pegmatoid segregations showed the presence of large (up to 4-5 cm) mineral aggregates —kyanite pseudomorphs developed after andalusite. They are prismatic, with rhombic sections, and are composed of chaotically arranged kyanite crystals with irregular-shaped andalusite relics between them. The samples also contain large (1 cm) muscovite plates localized between the pseudomorphs as well as quartz grains. The pegmatoid segregations bear the following mineral assemblage: And + Ky + Sil + Fibr + Ms + Qtz + Pl + St +Grt + Bt. Predominant minerals are Al2SiO5 polymorphs (30-50 vol.%), muscovite (30-60 vol.%), and quartz (up to 20 vol.%). Biotite and plagioclase are present in small amounts; staurolite and garnet are occasional. Based on the observed mineral correlations, the following sequence of formation of Al2SiO5 polymorphs has been established: First, andalusite was replaced by kyanite to form pseudomorphs; then, fibrolite was produced, which, in turn, gave way to prismatic sillimanite. The fact that fibrolite formed after kyanite is proved by its presence in muscovite developed after the latter mineral. Sillimanite was, most likely, produced later than or synchronously with large muscovite replacing andalusite grains and kyanite pseudomorphs developed after andalusite. 2. Though the estimated P and T values are close to those of the triple point (Pattison, 1992), the studied rocks bear evidence for the replacement of andalusite by kyanite and sillimanite. The mineral assemblages pointing to the kyanitesillimanite type of metamorphism of the host rocks and the presence of andalusite relics in the latter suggest that the andalusite formed during earlier metamorphic events. This polymorph formation sequence agrees with Kozakov's (1986) data on change of the regional metamorphism from andalusite-sillimanite to kyanite-sillimanite one. 3. The great amounts of muscovite in veins containing Al2SiO5 polymorphs and its presence at phase contacts suggest a great role of muscovite in the phase transitions between different polymorphs. Since phases other than Al2SiO5 and muscovite are present in negligible amounts, it is not ruled out that the polymorphs were transformed by the ion exchange mechanism (Carmichael, 1969). 1. Carmichael, D.M., 1969. On the mechanism of prograde metamorphic reaction in quartz-bearing pelitic rocks. Contr. Miner. Petrol. 20, 244-267. 2. Kerrick, D.M., 1990. The Al2SiO5 polymorphs. Rev. Miner. 22, p. 406. 3. Kozakov, I.K., 1986. Precambrian infrastructure complexes of Mongolia [in Russian]. Nauka, Leningrad. 4. Pattison, D.R.M., 1992. Stability of andalusite and sillimanite and the Al2SiO5 triple point: constraints from the Ballachulish aureole, Scotland. J. Geol. 100, 423-446.

The mixing mechanism during lithiation of Si negative electrode in Li-ion batteries: an ab initio molecular dynamics study.

PubMed

Johari, Priya; Qi, Yue; Shenoy, Vivek B

2011-12-14

In order to realize Si as a negative electrode material in commercial Li-ion batteries, it is important to understand the mixing mechanism of Li and Si, and stress evolution during lithiation in Si negative electrode of Li-ion batteries. Available experiments mainly provide the diffusivity of Li in Si as an averaged property, neglecting information regarding diffusivity of Si. However, if Si can diffuse as fast as Li, the stress generated during Li diffusion can be reduced. We, therefore, studied the diffusivity of Li as well as Si atoms in the Si-anode of Li-ion battery using an ab initio molecular dynamics-based methodology. The electrochemical insertion of Li into crystalline Si prompts a crystalline-to-amorphous phase transition. We considered this situation and thus examined the diffusion kinetics of Li and Si atoms in both crystalline and amorphous Si. We find that Li diffuses faster in amorphous Si as compared to crystalline Si, while Si remains relatively immobile in both cases and generates stresses during lithiation. To further understand the mixing mechanism and to relate the structure with electrochemical mixing, we analyzed the evolution of the structure during lithiation and studied the mechanism of breaking of Si-Si network by Li. We find that Li atoms break the Si rings and chains and create ephemeral structures such as stars and boomerangs, which eventually transform to Si-Si dumbbells and isolated Si atoms in the LiSi phase. Our results are found to be in agreement with the available experimental data and provide insights into the mixing mechanism of Li and Si in Si negative electrode of Li-ion batteries.

Silicide formation process of Pt added Ni at low temperature: Control of NiSi2 formation

NASA Astrophysics Data System (ADS)

Ikarashi, Nobuyuki; Masuzaki, Koji

2011-03-01

Transmission electron microscopy (TEM) and ab initio calculations revealed that the Ni-Si reaction around 300 °C is significantly changed by adding Pt to Ni. TEM analysis clarified that NiSi2 was formed in a reaction between Ni thin film (˜1 nm) and Si substrate, while NiSi was formed when Pt was added to the Ni film. We also found that the Ni-adamantane structure, which acts as a precursor for NiSi2 formation around the reaction temperature, was formed in the former reaction but was significantly suppressed in the latter reaction. Theoretical calculations indicated that Pt addition increased stress at the Ni-adamantane structure/Si-substrate interface. The increase in interface stress caused by Pt addition should raise the interface energy to suppress the Ni-adamantane structure formation, leading to NiSi2 formation being suppressed.

High performance a-Si solar cells and new fabrication methods for a-Si solar cells

NASA Astrophysics Data System (ADS)

Nakano, S.; Kuwano, Y.; Ohnishi, M.

1986-12-01

The super chamber, a separated UHV reaction-chamber system has been developed. A conversion efficiency of 11.7% was obtained for an a-Si solar cell using a high-quality i-layer deposited by the super chamber, and a p-layer fabricated by a photo-CVD method. As a new material, amorphous superlattice-structure films were fabricated by the photo-CVD method for the first time. Superlattice structure p-layer a-Si solar cells were fabricated, and a conversion efficiency of 10.5% was obtained. For the fabrication of integrated type a-Si solar cell modules, a laser pattering method was investigated. A thermal analysis of the multilayer structure was done. It was confirmed that selective scribing for a-Si, TCO and metal film is possible by controlling the laser power density. Recently developed a-Si solar power generation systems and a-Si solar cell roofing tiles are also described.

Determining rates of chemical weathering in soils - Solute transport versus profile evolution

USGS Publications Warehouse

Stonestrom, David A.; White, A.F.; Akstin, K.C.

1998-01-01

SiO2 fluxes associated with contemporary solute transport in three deeply weathered granitoid profiles are compared to bulk SiO2 losses that have occurred during regolith development. Climates at the three profiles range from Mediterranean to humid to tropical. Due to shallow impeding alluvial layers at two of the profiles, and seasonally uniform rainfall at the third, temporal variations in hydraulic and chemical state variables are largely attenuated below depths of 1-2 m. This allows current SiO2 fluxes below the zone of seasonal variations to be estimated from pore-water concentrations and average hydraulic flux densities. Mean-annual SiO2 concentrations were 0.1-1.5 mM. Hydraulic conductivities for the investigated range of soil-moisture saturations ranged from 10-6 m s-1. Estimated hydraulic flux densities for quasi-steady portions of the profiles varied from 6 x 10-9 to 14 x 10-9 m s-1 based on Darcy's law and field measurements of moisture saturations and pressure heads. Corresponding fluid-residence times in the profiles ranged from 10 to 44 years. Total SiO2 losses, based on chemical and volumetric changes in the respective profiles, ranged from 19 to 110 kmoles SiO2 m-2 of land surface as a result of 0.2-0.4 Ma of chemical weathering. Extrapolation of contemporary solute fluxes to comparable time periods reproduced these SiO2 losses to about an order of magnitude. Despite the large range and non-linearity of measured hydraulic conductivities, solute transport rates in weathering regoliths can be estimated from characterization of hydrologic conditions at sufficiently large depths. The agreement suggests that current weathering rates are representative of long-term average weathering rates in the regoliths.SiO2 fluxes associated with contemporary solute transport in three deeply weathered granitoid profiles are compared to bulk SiO2 losses during regolith development. Due to shallow impeding alluvial layers at two of the profiles, and seasonally uniform rainfall at the third, temporal variations in hydraulic and chemical state variables are largely attenuated below depths of 1-2 m. Hydraulic conductivities for the investigated range of soil-moisture saturations of 10-6 m/s-1. Estimated hydraulic flux densities for quasi-steady portions of the profiles varied from 6??10-9 to 14??10-9 m/s based on Darcy's law and field measurements of moisture saturations and pressure heads.

High-pressure phases of Mg2Si from first principles

NASA Astrophysics Data System (ADS)

Huan, Tran Doan; Tuoc, Vu Ngoc; Le, Nam Ba; Minh, Nguyen Viet; Woods, Lilia M.

2016-03-01

First-principles calculations are presented to resolve the possible pressure-dependent phases of Mg2Si . Although previous reports show that Mg2Si is characterized by the cubic antifluorite F m 3 ¯m structure at low pressures, the situation at higher pressures is less clear with many contradicting results. Here we utilize several methods to examine the stability, electron, phonon, and transport properties of this material as a function of pressure and temperature. We find that Mg2Si is thermodynamically stable at low and high pressures. Between 6 and 24 GPa, Mg2Si can transform into Mg9Si5 , a defected compound, and vice versa, without energy cost. Perhaps this result is related to the aforementioned inconsistency in the structures reported for Mg2Si within this pressure range. Focusing solely on Mg2Si , we find a new monoclinic C 2 /m structure of Mg2Si , which is stable at high pressures within thermodynamical considerations. The calculated electrical conductivity and Seebeck coefficient taking into account results from the electronic structure calculations help us understand better how transport can be affected in this material by modulating pressure and temperature.

Polarized photoluminescence of nc-Si–SiO{sub x} nanostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Michailovska, E. V.; Indutnyi, I. Z.; Shepeliavyi, P. E.

2016-01-15

The effect of photoluminescence polarization memory in nc-Si–SiO{sub x} light-emitting structures containing Si nanoparticles (nc-Si) in an oxide matrix is for the first time studied. The polarization properties of continuous and porous nanostructures passivated in HF vapors (or solutions) are studied. It is established that the polarization memory effect is manifested only after treatment of the structures in HF. The effect is also accompanied by a shift of the photoluminescence peak to shorter wavelengths and by a substantial increase in the photoluminescence intensity. It is found that, in anisotropic nc-Si–SiO{sub x} samples produced by oblique deposition in vacuum, the degreemore » of linear photoluminescence polarization in the sample plane exhibits a noticeable orientation dependence and correlates with the orientation of SiO{sub x} nanocolumns forming the structure of the porous layer. These effects are attributed to the transformation of symmetrically shaped Si nanoparticles into asymmetric elongated nc-Si particles upon etching in HF. In continuous layers, nc-Si particles are oriented randomly, whereas in porous structures, their preferential orientation coincides with the orientation of oxide nanocolumns.« less

A mechanism of charge transport in electroluminescent structures consisting of porous silicon and single-crystal silicon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Evtukh, A. A., E-mail: dept_5@isp.kiev.ua; Kaganovich, E. B.; Manoilov, E. G.

2006-02-15

Electroluminescent structures that emit in the visible region of the spectrum and are based on porous silicon (por-Si) formed on the p-Si substrate electrolytically using an internal current source are fabricated. The photoluminescent and electroluminescent properties, as well as the current-and capacitance-voltage characteristics of the structures are studied. Electroluminescence is observed only if the forward bias voltage is applied to the structure; the electroluminescence mechanism is based on the injection and is related to the radiative recombination of electrons and holes in quantum-dimensional Si nanocrystals. The injection of holes is controlled by the condition of their accumulation in the space-chargemore » region of p-Si and by a comparatively low concentration of electronic states at the por-Si/p-Si interface. The charge transport in por-Si is caused by the direct tunneling of charge carriers between the quantum-mechanical levels, which is ensured by an appreciable number of quantum-dimensional Si nanocrystals. The leakage currents are low as a result of a small variance in the sizes of Si nanocrystals and the absence of comparatively large nanocrystals.« less

Electromagnetic resonance modes on a two-dimensional tandem grating and its application for broadband absorption in the visible spectrum.

PubMed

Han, Sunwoo; Lee, Bong Jae

2016-01-25

In this work, we numerically investigate the electromagnetic resonances on two-dimensional tandem grating structures. The base of a tandem grating consists of an opaque Au substrate, a SiO(2) spacer, and a Au grating (concave type); that is, a well-known fishnet structure forming Au/SiO(2)/Au stack. A convex-type Au grating (i.e., topmost grating) is then attached on top of the base fishnet structure with or without additional SiO(2) spacer, resulting in two types of tandem grating structures. In order to calculate the spectral reflectance and local magnetic field distribution, the finite-difference time-domain method is employed. When the topmost Au grating is directly added onto the base fishnet structure, the surface plasmon and magnetic polariton in the base structure are branched out due to the geometric asymmetry with respect to the SiO(2) spacer. If additional SiO(2) spacer is added between the topmost Au grating and the base fishnet structure, new magnetic resonance modes appear due to coupling between two vertically aligned Au/SiO(2)/Au stacks. With the understanding of multiple electromagnetic resonance modes on the proposed tandem grating structures, we successfully design a broadband absorber made of Au and SiO(2) in the visible spectrum.

Progress on FIR interferometry and Thomson Scattering measurements on HIT-SI3

NASA Astrophysics Data System (ADS)

Everson, Christopher; Jarboe, Thomas; Morgan, Kyle

2017-10-01

Spatially resolved measurements of the electron temperature (Te) and density (ne) will be fundamental in assessing the degree to which HIT-SI3 demonstrates closed magnetic flux and energy confinement. Further, electron temperature measurements have not yet been made on an inductively-driven spheromak. Far infrared (FIR) interferometer and Thomson Scattering (TS) systems have been installed on the HIT-SI3 spheromak. The TS system currently implemented on HIT-SI3 was originally designed for other magnetic confinement experiments, and progress continues toward modifying and optimizing for HIT-SI3 plasmas. Initial results suggest that the electron temperature is of order 10 eV. Plans to modify the TS system to provide more sensitivity and accuracy at low temperatures are presented. The line-integrated ne is measured on one chord by the FIR interferometer, with densities near 5x1019 m-3. Four cylindrical volumes have been added to the HIT-SI3 apparatus to enhance passive pumping. It is hoped that this will allow for more control of the density during the 2 ms discharges. Density measurements from before and after the installation of the passive pumping volumes are presented for comparison.

Luminescence properties of Eu2+ in M2MgSi2O7 (M=Ca, Sr, and Ba) phosphors

NASA Astrophysics Data System (ADS)

Kim, T.; Kim, Y.; Kang, S.

2012-03-01

The photoluminescence properties of alkali-earth magnesium silicates (M2MgSi2O7, M=Ca, Sr, and Ba) doped with Eu2+ were investigated. Solid solutions of Ba x Sr2- x Si2O7, Ca2MgSi2O7, and Sr2MgSi2O7 were prepared. Ba x Sr2- x Si2O7 retained a tetragonal crystal structure similar to the structure of the other compounds up to a stoichiometry of x=1.6, which enabled a systematic study of the common structure. Monoclinic Ba2MgSi2O7 was prepared, and the luminescence properties were compared with those of other samples. The emission and excitation spectra of tetragonal M2MgSi2O7 (M=Ca, Sr, and Ba) changed as a function of the covalency, site symmetry, and crystal field strength. The luminescence properties showed excellent agreement with theoretical predictions based on these factors. The Stokes shift differentiated the emission behaviors of the tetragonal and monoclinic structures.

Si-centered capped trigonal prism ordering in liquid Pd 82Si 18 alloy study by first-principles calculations

DOE PAGES

Dong, F.; Yue, G. Q.; Ames Lab. and Iowa State Univ., Ames, IA; ...

2017-03-24

First-principles molecular dynamic (MD) simulation and X-ray diffraction were employed to study the local structures of Pd–Si liquid at the eutectic composition (Pd 82Si 18). Here, a strong repulsion is found between Si atoms, and Si atoms prefer to be evenly distributed in the liquid. The dominate local structures around Si atoms are found to be with of a trigonal prism capped by three half-octahedra and an archimedean anti-prism. The populations of these clusters increase significantly upon cooling, and may play an important role in the formation of Pd 82Si 18 alloy glass.

Si-centered capped trigonal prism ordering in liquid Pd 82Si 18 alloy study by first-principles calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dong, F.; Yue, G. Q.; Ames Lab. and Iowa State Univ., Ames, IA

First-principles molecular dynamic (MD) simulation and X-ray diffraction were employed to study the local structures of Pd–Si liquid at the eutectic composition (Pd 82Si 18). Here, a strong repulsion is found between Si atoms, and Si atoms prefer to be evenly distributed in the liquid. The dominate local structures around Si atoms are found to be with of a trigonal prism capped by three half-octahedra and an archimedean anti-prism. The populations of these clusters increase significantly upon cooling, and may play an important role in the formation of Pd 82Si 18 alloy glass.

Structures, phase stabilities, and electrical potentials of Li-Si battery anode materials

NASA Astrophysics Data System (ADS)

Tipton, William W.; Bealing, Clive R.; Mathew, Kiran; Hennig, Richard G.

2013-05-01

The Li-Si materials system holds promise for use as an anode in Li-ion battery applications. For this system, we determine the charge capacity, voltage profiles, and energy storage density solely by ab initio methods without any experimental input. We determine the energetics of the stable and metastable Li-Si phases likely to form during the charging and discharging of a battery. Ab initio molecular dynamics simulations are used to model the structure of amorphous Li-Si as a function of composition, and a genetic algorithm coupled to density-functional theory searches the Li-Si binary phase diagram for small-cell, metastable crystal structures. Calculations of the phonon densities of states using density-functional perturbation theory for selected structures determine the importance of vibrational, including zero-point, contributions to the free energies. The energetics and local structural motifs of these metastable Li-Si phases closely resemble those of the amorphous phases, making these small unit cell crystal phases good approximants of the amorphous phase for use in further studies. The charge capacity is estimated, and the electrical potential profiles and the energy density of Li-Si anodes are predicted. We find, in good agreement with experimental measurements, that the formation of amorphous Li-Si only slightly increases the anode potential. Additionally, the genetic algorithm identifies a previously unreported member of the Li-Si binary phase diagram with composition Li5Si2 which is stable at 0 K with respect to previously known phases. We discuss its relationship to the partially occupied Li7Si3 phase.

Silencing of high-mobility group box 2 (HMGB2) modulates cisplatin and 5-fluorouracil sensitivity in head and neck squamous cell carcinoma.

PubMed

Syed, Nazia; Chavan, Sandip; Sahasrabuddhe, Nandini A; Renuse, Santosh; Sathe, Gajanan; Nanjappa, Vishalakshi; Radhakrishnan, Aneesha; Raja, Remya; Pinto, Sneha M; Srinivasan, Anand; Prasad, T S Keshava; Srikumar, Kotteazeth; Gowda, Harsha; Santosh, Vani; Sidransky, David; Califano, Joseph A; Pandey, Akhilesh; Chatterjee, Aditi

2015-01-01

Dysregulation of protein expression is associated with most diseases including cancer. MS-based proteomic analysis is widely employed as a tool to study protein dysregulation in cancers. Proteins that are differentially expressed in head and neck squamous cell carcinoma (HNSCC) cell lines compared to the normal oral cell line could serve as biomarkers for patient stratification. To understand the proteomic complexity in HNSCC, we carried out iTRAQ-based MS analysis on a panel of HNSCC cell lines in addition to a normal oral keratinocyte cell line. LC-MS/MS analysis of total proteome of the HNSCC cell lines led to the identification of 3263 proteins, of which 185 proteins were overexpressed and 190 proteins were downregulated more than twofold in at least two of the three HNSCC cell lines studied. Among the overexpressed proteins, 23 proteins were related to DNA replication and repair. These included high-mobility group box 2 (HMGB2) protein, which was overexpressed in all three HNSCC lines studied. Overexpression of HMGB2 has been reported in various cancers, yet its role in HNSCC remains unclear. Immunohistochemical labeling of HMGB2 in a panel of HNSCC tumors using tissue microarrays revealed overexpression in 77% (54 of 70) of tumors. The HMGB proteins are known to bind to DNA structure resulting from cisplatin-DNA adducts and affect the chemosensitivity of cells. We observed that siRNA-mediated silencing of HMGB2 increased the sensitivity of the HNSCC cell lines to cisplatin and 5-FU. We hypothesize that targeting HMGB2 could enhance the efficacy of existing chemotherapeutic regimens for treatment of HNSCC. All MS data have been deposited in the ProteomeXchange with identifier PXD000737 (http://proteomecentral.proteomexchange.org/dataset/PXD000737). © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Magnetic behavior of Si-Ge bond in SixGe4-x nano-clusters

NASA Astrophysics Data System (ADS)

Nahali, Masoud; Mehri, Ali

2018-06-01

The structure of SixGe4-x nano-clusters were optimized by MPW1B95 level of theory using MG3S and SDB-aug-cc-PVTZ basis set. The agreement of the calculated ionization and dissociation energies with experimental values validates the reported structures of nano-clusters and justifies the use of hybrid meta density functional method. Since the Si-Si bond is stronger than Si-Ge and Ge-Ge bonds, the Si-Si, Si-Ge, and Ge-Ge diagonal bonds determine the precedence of the stability in these nano-clusters. The hybrid meta density functional calculations were carried out to investigate the adsorption of CO on all possible SixGe4-x nano-clusters. It was found that the silicon atom generally makes a stronger bond with CO than germanium and thereby preferentially affects the shape of structures having higher multiplicity. In Si-Ge structures with higher spin more than 95% of spins accumulate on positions with less bonds to other atoms of the cluster. Through CO adsorption on these clusters bridge structures are made that behave as spin bridge which conduct the spin from the nano-cluster surface to the adsorbate atoms. A better understanding of bridged structures was achieved upon introducing the 'spin bridge' concept. Based on exhaustive spin density analysis, it was found that the reason for the extra negative charge on oxygen in the bridged structures is the relocation of spin from the surface through the bridge.

Atomistic Simulation Derived Insight on the Irreversible Structural Changes of Si Electrode during Fast and Slow Delithiation.

PubMed

Kim, Kwang Jin; Wortman, James; Kim, Sung-Yup; Qi, Yue

2017-07-12

Quantifying the irreversible chemical and structural changes of Si during cycling remains challenging. In this study, a continuous reactive molecular dynamics delithiation algorithm, with well-controlled potential gradient and delithiation rate, was developed and used to investigate the "natural" delithiation responses of an aluminum-oxide coated silicon thin-film. Fast delithiation led to the formation of dense Si network near the surface and nanoporosity inside the a-Li x Si, resulting in 141% volume dilation and significant amount of Li trapped inside (a-Li 1.2 Si) at the end of delithiation process. In contrast, slow delithiation allowed the a-Li x Si to shrink by near-equilibrium condition, demonstrating no permanent inner pore with nearly Li-free structure (a-Li 0.2 Si) and minimal volume dilation (44%). However, even without trapped Li, the delithiated a-Li x Si still exhibited higher volume (lower density) than the equilibrium structure with the same Li concentration, despite delithiation rate. The origin of this excess volume is the loss of directly bonded Si-Si pairs, which made the subsequent relithiation faster. On the basis of the atomistic modeling and the quantified degradation mechanism, battery operating guidelines, including the delithiation rate and the depth of charge to avoid trapped Li and coating delamination, were suggested to improve the durability Si electrodes.

Three-Dimensional Hetero-Integration of Faceted GaN on Si Pillars for Efficient Light Energy Conversion Devices.

PubMed

Kim, Dong Rip; Lee, Chi Hwan; Cho, In Sun; Jang, Hanmin; Jeon, Min Soo; Zheng, Xiaolin

2017-07-25

An important pathway for cost-effective light energy conversion devices, such as solar cells and light emitting diodes, is to integrate III-V (e.g., GaN) materials on Si substrates. Such integration first necessitates growth of high crystalline III-V materials on Si, which has been the focus of many studies. However, the integration also requires that the final III-V/Si structure has a high light energy conversion efficiency. To accomplish these twin goals, we use single-crystalline microsized Si pillars as a seed layer to first grow faceted Si structures, which are then used for the heteroepitaxial growth of faceted GaN films. These faceted GaN films on Si have high crystallinity, and their threading dislocation density is similar to that of GaN grown on sapphire. In addition, the final faceted GaN/Si structure has great light absorption and extraction characteristics, leading to improved performance for GaN-on-Si light energy conversion devices.

Long-term stable water vapor permeation barrier properties of SiN/SiCN/SiN nanolaminated multilayers grown by plasma-enhanced chemical vapor deposition at extremely low pressures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Choi, Bum Ho, E-mail: bhchoi@kitech.re.kr; Lee, Jong Ho

2014-08-04

We investigated the water vapor permeation barrier properties of 30-nm-thick SiN/SiCN/SiN nanolaminated multilayer structures grown by plasma enhanced chemical vapor deposition at 7 mTorr. The derived water vapor transmission rate was 1.12 × 10{sup −6} g/(m{sup 2} day) at 85 °C and 85% relative humidity, and this value was maintained up to 15 000 h of aging time. The X-ray diffraction patterns revealed that the nanolaminated film was composed of an amorphous phase. A mixed phase was observed upon performing high resolution transmission electron microscope analysis, which indicated that a thermodynamically stable structure was formed. It was revealed amorphous SiN/SiCN/SiN multilayer structures that are freemore » from intermixed interface defects effectively block water vapor permeation into active layer.« less

Overview of HIT-SI Results and Plans

NASA Astrophysics Data System (ADS)

Ennis, D. A.; Akcay, C.; Hansen, C. J.; Hicks, N. K.; Hossack, A. C.; Jarboe, T. R.; Marklin, G. J.; Nelson, B. A.; Victor, B. S.

2011-10-01

Experiments in the Helicity Injected Torus-Steady Inductive (HIT-SI) device have achieved record spheromak current amplification during operations in deuterium plasmas. HIT-SI investigates steady inductive helicity injection with the aim of forming and sustaining a high-beta equilibrium in a spheromak geometry using two semi-toroidal injectors. Recent operations in deuterium plasmas have produced toroidal plasma currents greater than 50 kA, with current amplifications (Itor / Iinj) > 3 , and poloidal flux amplifications (ψpol /ψinj) > 10 . High performance deuterium discharges are achieved by initially conditioning the plasma-facing alumina surface of the HIT-SI confinement volume with helium plasmas. During subsequent deuterium operation the alumina surface strongly pumps deuterium, thereby limiting the density in the confinement volume. Additional measurements during high current deuterium discharges demonstrate reduced current and electron density fluctuations, impurity O III ion temperatures up to 50 eV and a toroidal current persistence for 0.6 ms after the injectors are shut off. Progress and plans for the HIT-SI3 configuration, with three injectors mounted on the same side of the confinement volume, will also be presented. Work supported by USDoE and ARRA.

Strain-induced structural defects and their effects on the electrochemical performances of silicon core/germanium shell nanowire heterostructures

DOE PAGES

Lin, Yung-Chen; Kim, Dongheun; Li, Zhen; ...

2016-12-14

Here we report on strain-induced structural defect formation in core Si nanowire of Si/Ge core/shell nanowire heterostructure and influences of the structural defects on the electrochemical performances in lithium-ion battery anodes based on Si/Ge core/shell nanowire heterostructures. The induced structural defects consisting of stacking faults and dislocations in the core Si nanowire were observed for the first time. The generation of stacking faults in Si/Ge core/shell nanowire heterostructure is observed to prefer settling in either only Ge shell region or in both Ge shell and Si core regions and is associated with the increase of the shell volume fraction. Themore » relax of misfit strain in [112] oriented core/shell nanowire heterostructure leads to subsequent gliding of Shockley partial dislocations, preferentially forming the twins. The observation of cross-over defect formation is of great importance for the understanding of heteroepitaxy in radial heterostructures at nanoscale and building the three dimensional heterostructures for the various applications. In addition, the effect of the defect formation on nanomaterial’s functionality is investigated by electrochemical performance test. The Si/Ge core/shell nanowire heterostructures enhance the gravimetric capacity of lithium ion battery anodes under fast charging/discharging rates compared to Si nanowires. However, the induced structural defects hamper lithiation of the Si/Ge core/shell nanowire heterostructure.« less

Strain-induced structural defects and their effects on the electrochemical performances of silicon core/germanium shell nanowire heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Yung-Chen; Kim, Dongheun; Li, Zhen

Here we report on strain-induced structural defect formation in core Si nanowire of Si/Ge core/shell nanowire heterostructure and influences of the structural defects on the electrochemical performances in lithium-ion battery anodes based on Si/Ge core/shell nanowire heterostructures. The induced structural defects consisting of stacking faults and dislocations in the core Si nanowire were observed for the first time. The generation of stacking faults in Si/Ge core/shell nanowire heterostructure is observed to prefer settling in either only Ge shell region or in both Ge shell and Si core regions and is associated with the increase of the shell volume fraction. Themore » relax of misfit strain in [112] oriented core/shell nanowire heterostructure leads to subsequent gliding of Shockley partial dislocations, preferentially forming the twins. The observation of cross-over defect formation is of great importance for the understanding of heteroepitaxy in radial heterostructures at nanoscale and building the three dimensional heterostructures for the various applications. In addition, the effect of the defect formation on nanomaterial’s functionality is investigated by electrochemical performance test. The Si/Ge core/shell nanowire heterostructures enhance the gravimetric capacity of lithium ion battery anodes under fast charging/discharging rates compared to Si nanowires. However, the induced structural defects hamper lithiation of the Si/Ge core/shell nanowire heterostructure.« less

Modular fabrication and characterization of complex silicon carbide composite structures Advanced Reactor Technologies (ART) Research Final Report (Feb 2015 – May 2017)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khalifa, Hesham

Advanced ceramic materials exhibit properties that enable safety and fuel cycle efficiency improvements in advanced nuclear reactors. In order to fully exploit these desirable properties, new processing techniques are required to produce the complex geometries inherent to nuclear fuel assemblies and support structures. Through this project, the state of complex SiC-SiC composite fabrication for nuclear components has advanced significantly. New methods to produce complex SiC-SiC composite structures have been demonstrated in the form factors needed for in-core structural components in advanced high temperature nuclear reactors. Advanced characterization techniques have been employed to demonstrate that these complex SiC-SiC composite structures providemore » the strength, toughness and hermeticity required for service in harsh reactor conditions. The complex structures produced in this project represent a significant step forward in leveraging the excellent high temperature strength, resistance to neutron induced damage, and low neutron cross section of silicon carbide in nuclear applications.« less

Structural stability and electronic behaviors of Co1-xOsxSi and macroscopic magnetic susceptibilities of CoSi and OsSi: GGA-PBEsol, GW-approximation and QTAIM investigations

NASA Astrophysics Data System (ADS)

Bouafia, H.; Sahli, B.; Timaoui, M. A.; Djebour, B.; Hiadsi, S.; Abidri, B.

2018-02-01

The present work represents a theoretical investigation based on FP-(L)APW + lo method of structural properties, mechanical stability and electronic properties of Co1-xOsxSi as well as the macroscopic magnetic susceptibilities of CoSi and OsSi. The structural properties such as cell parameter, bulk modulus, internal parameters and total energy of non-magnetic NM, ferromagnetic FM and antiferromagnetic AFM phases were predicted by GGA-PBEsol semilocal functional. The obtained results for CoSi and OsSi are in good agreement with those found previously. The spin, orbital and total macroscopic magnetic susceptibilities of CoSi and OsSi have been estimated and confirmed that these compounds are diamagnetic. The total energy of the ferromagnetic phase of Co1-xOsxSi (with x = 0.25, 0.5 and 0.75) is the lowest indicating that they are ferromagnetic materials. The generalized stability criteria indicate that Co1-xOsxSi maintain their mechanical stabilities under a hydrostatic pressure less than 10 GPa. The electronic properties calculated by GW-approximation indicate that CoSi and Co1-xOsxSi (with x = 0.25, 0.50 and 0.75) are semimetals whereas OsSi is a semiconductor with a pseudo-direct band-gap. The topological analysis by QTAIM and the charge density plots indicate that the strong covalent character is predominant for Cosbnd Si, Ossbnd Si and Cosbnd Os bonds.

Saccadic distractor effects: the remote distractor effect (RDE) and saccadic inhibition (SI): A response to McIntosh and Buonocore (2014).

PubMed

Walker, Robin; Benson, Valerie

2015-02-04

We (Walker & Benson, 2013) reported studies in which the spatial effects of distractors on the remote distractor effect (RDE) and saccadic inhibition (SI) were examined. Distractors remote from the target increased mean latency and the skew of the distractor-related distributions, without the presence of dips that are regarded as the hallmark of SI. We further showed that early onset distractors had similar effects although these would not be consistent with existing estimates of the duration of SI (of around 60-70 ms). McIntosh and Buonocore (2014) report a simulation showing that skewed latency distributions can arise from the putative SI mechanism and they also highlighted a number of methodological considerations regarding the RDE and SI as measures of saccadic distractor effects (SDEs). Here we evaluate these claims and note that the measures of SI obtained by subtracting latency distributions (specifically the decrease in saccade frequency--or dip duration) are no more diagnostic of a single inhibitory process, or more sensitive indicators of it, than is median latency. Furthermore the evidence of inhibitory influences of small distractors presented close to the target is incompatible with the explanations of both the RDE and SI. We conclude that saccadic distractor effects may be a more inclusive term to encompass the different characteristics of behavioral effects of underlying saccade target selection. © 2015 ARVO.

Effect of Ti3SiC2 on Tribological Properties of M50 Matrix Self-Lubricating Composites from 25 to 450 °C

NASA Astrophysics Data System (ADS)

Deng, Xiaobin; Shi, Xiaoliang; Liu, Xiyao; Huang, Yuchun; Yan, Zhao; Yang, Kang; Wang, Yufu

2017-09-01

The tribological performance is a key factor for M50 steel that is widely used in aero-engine main-shaft bearings. In this study, the tribological properties of M50 matrix self-lubricating composites with different contents of Ti3SiC2 against Si3N4 ceramic counterpart are investigated at 15 N-0.2 m/s from 25 to 450 °C. The results showed that M50 with 10 wt.% Ti3SiC2 (MT10) exhibits the lower friction coefficients (0.21-0.78) and less wear rates (1.78-3.14 × 10-6 mm3 N-1 m-1) at 25-450 °C. Especially at 350 °C, MT10 shows the lowest friction coefficient and wear rate owing to the formation of smooth lubricating layer containing Ti3SiC2 and oxides. Ti3SiC2 and compacted Ti-Si-oxides are uniformly distributed in the lubricating layer, which can well improve the anti-friction and anti-wear performance of MT10. The mechanically mixed layer containing massive Ti3SiC2 can sustain the lubricating layer, resulting in the increase of anti-wear performance of MT10. MT10 could be applied under the practical conditions of friction and wear for its outstanding anti-friction and anti-wear performance.

Atomic and electronic structures of Si(1 1 1)-(√3 x √3)R30°-Au and (6 × 6)-Au surfaces.

PubMed

Patterson, C H

2015-12-02

Si(1 1 1)-Au surfaces with around one monolayer of Au exhibit many ordered structures and structures containing disordered domain walls. Hybrid density functional theory (DFT) calculations presented here reveal the origin of these complex structures and tendency to form domain walls. The conjugate honeycomb chain trimer (CHCT) structure of the [Formula: see text]-Au phase contains Si atoms with non-bonding surface states which can bind Au atoms in pairs in interstices of the CHCT structure and make this surface metallic. Si adatoms adsorbed on the [Formula: see text]-Au surface induce a gapped surface through interaction with the non-bonding states. Adsorption of extra Au atoms in interstitial sites of the [Formula: see text]-Au surface is stabilized by interaction with the non-bonding orbitals and leads to higher coverage ordered structures including the [Formula: see text]-Au phase. Extra Au atoms bound in interstitial sites of the [Formula: see text]-Au surface result in top layer Si atoms with an SiAu4 butterfly wing configuration. The structure of a [Formula: see text]-Au phase, whose in-plane top atomic layer positions were previously determined by an electron holography technique (Grozea et al 1998 Surf. Sci. 418 32), is calculated using total energy minimization. The Patterson function for this structure is calculated and is in good agreement with data from an in-plane x-ray diffraction study (Dornisch et al 1991 Phys. Rev. B 44 11221). Filled and empty state scanning tunneling microscopy (STM) images are calculated for domain walls and the [Formula: see text]-Au structure. The [Formula: see text]-Au phase is 2D chiral and this is evident in computed and actual STM images. [Formula: see text]-Au and domain wall structures contain the SiAu4 motif with a butterfly wing shape. Chemical bonding within the Si-Au top layers of the [Formula: see text]-Au and [Formula: see text]-Au surfaces is analyzed and an explanation for the SiAu4 motif structure is given.

Correlations between properties and applications of the CVD amorphous silicon carbide films

NASA Astrophysics Data System (ADS)

Kleps, Irina; Angelescu, Anca

2001-12-01

The aim of this paper is to emphasise the correlation between film preparation conditions, film properties and their applications. Low pressure chemical vapour deposition amorphous silicon carbide (a-SiC) and silicon carbonitride (SiCN) films obtained from liquid precursors have different structure and composition depending on deposition conditions. Thus, the films deposited under kinetic working conditions reveal a stable structure and composition. Deposition at moderate temperature leads to stoichiometric SiC, while the films deposited at high temperatures have a composition closer to Si 1- xC x, with x=0.75. These films form a very reactive interface with metallic layers. The films realised under kinetic working regime can be used in Si membrane fabrication process or as coating films for field emission applications. SiC layers field emission properties were investigated; the field emission current density of the a-SiC/Si structures was 2.4 mA/cm 2 at 25 V/μm. An Si membrane technology based on moderate temperatures (770-850 °C) a-SiC etching mask is presented.

Transmission electron microscopy characterization of the erbium silicide formation process using a Pt/Er stack on a silicon-on-insulator substrate.

PubMed

Łaszcz, A; Katcki, J; Ratajczak, J; Tang, Xiaohui; Dubois, E

2006-10-01

Very thin erbium silicide layers have been used as source and drain contacts to n-type Si in low Schottky barrier MOSFETs on silicon-on-insulator substrates. Erbium silicide is formed by a solid-state reaction between the metal and silicon during annealing. The influence of annealing temperature (450 degrees C, 525 degrees C and 600 degrees C) on the formation of an erbium silicide layer in the Pt/Er/Si/SiO(2)/Si structure was analysed by means of cross-sectional transmission electron microscopy. The Si grains/interlayer formed at the interface and the presence of Si grains within the Er-related layer constitute proof that Si reacts with Er in the presence of a Pt top layer in the temperature range 450-600 degrees C. The process of silicide formation in the Pt/Er/Si structure differs from that in the Er/Si structure. At 600 degrees C, the Pt top layer vanishes and a (Pt-Er)Si(x) system is formed.

Grown from lithium flux, the ErCo5Si(3.17) silicide is a combination of disordered derivatives of the UCo5Si3 and Yb6Co30P19 structure types.

PubMed

Stetskiv, Andrij; Rozdzynska-Kielbik, Beata; Misztal, Renata; Pavlyuk, Volodymyr

2015-06-01

A ternary hexaerbium triacontacobalt enneakaidecasilicide, ErCo5Si(3.17), crystallizes as a combination of disordered variants of the hexagonal UCo5Si3 (P6₃/m) and Yb6Co30P19 (P6) structure types and is closely related to the Sc6Co30Si19 and Ce6Rh30Si19 types. The Er, Co and three of the Si atoms occupy sites of m.. symmetry and a fourth Si atom occupies a site of -6.. symmetry. The environment of the Er atom is a 21-vertex pseudo-Frank-Kasper polyhedron. Trigonal prismatic coordination is observed for the Si atoms. The Co atoms are enclosed in heavily deformed cuboctahedra and 11-vertex polyhedra. Crystallochemistry analysis and the data from electronic structure calculations (TB-LMTO-ASA) suggest that the Er atoms form positively charged cations which compensate the negative charge of the [Co12Si9](m-) polyanions.

Microstructure and Corrosion Behavior of CrN and CrSiCN Coatings

NASA Astrophysics Data System (ADS)

Cai, Feng; Yang, Qi; Huang, Xiao; Wei, Ronghua

2010-07-01

Three CrN-based coatings were deposited on 17-4PH stainless steel substrate using plasma enhanced magnetron sputtering (PEMS) technique. The microstructure and corrosion resistance were evaluated to examine the effect of Si and C in the coatings. The three coating compositions were CrN(Cr0.69N0.31), CrSiCN-1 (Cr0.55Si0.014C0.14N0.3), and CrSiCN-2 (Cr0.43Si0.037C0.24N0.3). The testing results indicated that with the increase of Si concentration, the coating microstructure transformed from B1 structure to B1 + Si3N4 structure. All the three coating systems were subjected to electrochemical tests in 3.5% NaCl solution at room temperature. Potentiodynamic polarization results revealed that the CrSiCN-2 coating had a higher anodic current density and a lower corrosion potential when compared to the CrN and CrSiCN-1 coatings. Extended exposure in 3.5% NaCl caused several localized corrosion to the CrSiCN-2 coating due to the porous coating structure. Electrochemical impedance spectroscopic measurements demonstrated that the CrSiCN-1 has better corrosion resistance than CrN and CrSiCN-2.

Study of a SiGeSn/GeSn/SiGeSn structure toward direct bandgap type-I quantum well for all group-IV optoelectronics.

PubMed

Ghetmiri, Seyed Amir; Zhou, Yiyin; Margetis, Joe; Al-Kabi, Sattar; Dou, Wei; Mosleh, Aboozar; Du, Wei; Kuchuk, Andrian; Liu, Jifeng; Sun, Greg; Soref, Richard A; Tolle, John; Naseem, Hameed A; Li, Baohua; Mortazavi, Mansour; Yu, Shui-Qing

2017-02-01

A SiGeSn/GeSn/SiGeSn single quantum well structure was grown using an industry standard chemical vapor deposition reactor with low-cost commercially available precursors. The material characterization revealed the precisely controlled material growth process. Temperature-dependent photoluminescence spectra were correlated with band structure calculation for a structure accurately determined by high-resolution x-ray diffraction and transmission electron microscopy. Based on the result, a systematic study of SiGeSn and GeSn bandgap energy separation and barrier heights versus material compositions and strain was conducted, leading to a practical design of a type-I direct bandgap quantum well.

First-principles study on silicon atom doped monolayer graphene

NASA Astrophysics Data System (ADS)

Rafique, Muhammad; Shuai, Yong; Hussain, Nayyar

2018-01-01

This paper illustrates the structural, electronic and optical properties of individual silicon (Si) atom-doped single layer graphene using density functional theory method. Si atom forms tight bonding with graphene layer. The effect of doping has been investigated by varying the concentration of Si atoms from 3.125% to 9.37% (i.e. From one to three Si atoms in 4 × 4 pure graphene supercell containing 32 carbon atoms), respectively. Electronic structure, partial density of states (PDOS) and optical properties of pure and Si atom-doped graphene sheet were calculated using VASP (Vienna ab-initio Simulation Package). The calculated results for pure graphene sheet were then compared with Si atom doped graphene. It is revealed that upon Si doping in graphene, a finite band gap appears at the high symmetric K-point, thereby making graphene a direct band gap semiconductor. Moreover, the band gap value is directly proportional to the concentration of impurity Si atoms present in graphene lattice. Upon analyzing the optical properties of Si atom-doped graphene structures, it is found that, there is significant change in the refractive index of the graphene after Si atom substitution in graphene. In addition, the overall absorption spectrum of graphene is decreased after Si atom doping. Although a significant red shift in absorption is found to occur towards visible range of radiation when Si atom is substituted in its lattice. The reflectivity of graphene improves in low energy region after Si atom substitution in graphene. These results can be useful for tuning the electronic structure and to manipulate the optical properties of graphene layer in the visible region.

Simulation and experimental study of a novel bifacial structure of silicon heterojunction solar cell for high efficiency and low cost

NASA Astrophysics Data System (ADS)

Huang, Haibin; Tian, Gangyu; Zhou, Lang; Yuan, Jiren; Fahrner, Wolfgang R.; Zhang, Wenbin; Li, Xingbing; Chen, Wenhao; Liu, Renzhong

2018-03-01

A novel structure of Ag grid/SiN x /n+-c-Si/n-c-Si/i-a-Si:H/p+-a-Si:H/TCO/Ag grid was designed to increase the efficiency of bifacial amorphous/crystalline silicon-based solar cells and reduce the rear material consumption and production cost. The simulation results show that the new structure obtains higher efficiency compared with the typical bifacial amorphous/crystalline silicon-based solar cell because of an increase in the short-circuit current (J sc), while retaining the advantages of a high open-circuit voltage, low temperature coefficient, and good weak-light performance. Moreover, real cells composed of the novel structure with dimensions of 75 mm ×75 mm were fabricated by a special fabrication recipe based on industrial processes. Without parameter optimization, the cell efficiency reached 21.1% with the J sc of 41.7 mA/cm2. In addition, the novel structure attained 28.55% potential conversion efficiency under an illumination of AM 1.5 G, 100 mW/cm2. We conclude that the configuration of the Ag grid/SiN x /n+-c-Si/n-c-Si/i-a-Si:H/p+-a-Si:H/TCO/Ag grid is a promising structure for high efficiency and low cost. Project supported by the Jiangxi Provincial Key Research and Development Foundation, China (Grant No. 2016BBH80043), the Open Fund of Jiangsu Key Laboratory of Materials and Technology for Energy Conversion, China (Grant No. NJ20160032), and the National Natural Science Foundation of China (Grant Nos. 61741404, 61464007, and 51561022).

Crystal structure of the ternary silicide Gd2Re3Si5.

PubMed

Fedyna, Vitaliia; Kozak, Roksolana; Gladyshevskii, Roman

2014-12-01

A single crystal of the title compound, the ternary silicide digadolinium trirhenium penta-silicide, Gd2Re3Si5, was isolated from an alloy of nominal composition Gd20Re30Si50 synthesized by arc melting and investigated by X-ray single-crystal diffraction. Its crystal structure belongs to the U2Mn3Si5 structure type. All atoms in the asymmetric lie on special positions. The Gd site has site symmetry m..; the two Mn atoms have site symmetries m.. and 2.22; the three Si atoms have site symmetries m.., ..2 and 4.. . The coordination polyhedra of the Gd atoms have 21 vertices, while those of the Re atoms are cubo-octa-hedra and 13-vertex polyhedra. The Si atoms are arranged as tricapped trigonal prisms, bicapped square anti-prisms, or 11-vertex polyhedra. The crystal structure of the title compound is also related to the structure types CaBe2Ge2 and W5Si3. It can be represented as a stacking of Gd-centred polyhedra of composition [GdSi9]. The Re atoms form infinite chains with an Re-Re distance of 2.78163 (5) Å and isolated squares with an Re-Re distance of 2.9683 (6) Å.

Crystal structure of the ternary silicide Gd2Re3Si5

PubMed Central

Fedyna, Vitaliia; Kozak, Roksolana; Gladyshevskii, Roman

2014-01-01

A single crystal of the title compound, the ternary silicide digadolinium trirhenium penta­silicide, Gd2Re3Si5, was isolated from an alloy of nominal composition Gd20Re30Si50 synthesized by arc melting and investigated by X-ray single-crystal diffraction. Its crystal structure belongs to the U2Mn3Si5 structure type. All atoms in the asymmetric lie on special positions. The Gd site has site symmetry m..; the two Mn atoms have site symmetries m.. and 2.22; the three Si atoms have site symmetries m.., ..2 and 4.. . The coordination polyhedra of the Gd atoms have 21 vertices, while those of the Re atoms are cubo­octa­hedra and 13-vertex polyhedra. The Si atoms are arranged as tricapped trigonal prisms, bicapped square anti­prisms, or 11-vertex polyhedra. The crystal structure of the title compound is also related to the structure types CaBe2Ge2 and W5Si3. It can be represented as a stacking of Gd-centred polyhedra of composition [GdSi9]. The Re atoms form infinite chains with an Re—Re distance of 2.78163 (5) Å and isolated squares with an Re—Re distance of 2.9683 (6) Å. PMID:25552967

Compact and low power operation optical switch using silicon-germanium/silicon hetero-structure waveguide.

PubMed

Sekiguchi, Shigeaki; Kurahashi, Teruo; Zhu, Lei; Kawaguchi, Kenichi; Morito, Ken

2012-04-09

We proposed a silicon-based optical switch with a carrier-plasma-induced phase shifter which employs a silicon-germanium (SiGe) / silicon (Si) hetero-structure in the waveguide core. A type-I hetero-interface formed by SiGe and Si is expected to confine carriers effectively in the SiGe waveguide core. The fabricated Mach-Zehnder optical switch shows a low switching power of only 1.53 mW with a compact phase shifter length of 250 μm. The switching time of the optical switch is less than 4.6 ns for the case of a square waveform driving condition, and 1 ns for the case of a pre-emphasis electric driving condition. These results show that our proposed SiGe/Si waveguide structure holds promise for active devices with compact size and low operation power.

Bulk and grain-boundary ionic conductivity in sodium zirconophosphosilicate Na3Zr2(SiO4)2PO4 (NASICON)

NASA Astrophysics Data System (ADS)

Lunghammer, S.; Ma, Q.; Rettenwander, D.; Hanzu, I.; Tietz, F.; Wilkening, H. M. R.

2018-06-01

Sodium zirconophosphosilicates (Na1+x Zr2(P1-x SixO4)3 (0 < x < 3)) currently experience a kind of renaissance as promising ceramic electrolytes for safe all-solid-state Na batteries. Such energy storage systems are an emerging option for next-generation technologies with attractive cost due to the use of abundant elements as sodium. To identify the right candidates their ion transport properties need to be precisely studied. In many cases less is known about the contributions of blocking grain boundaries to the overall charge carrier transport. Here, we took advantage of broadband impedance and conductivity spectroscopy carried out at sufficiently low temperature to make visible these two contributions for polycrystalline Na3Zr2(SiO4)2PO4. It turned out that ion transport across the grain boundaries of a sintered pellet do not greatly hinder long-range ion dynamics. While bulk ion dynamics in Na3Zr2(SiO4)2PO4 is characterized by 1.0 mS cm-1, the grain boundary ionic conductivity is only slightly lower viz. 0.7 mS cm-1. The latter value is of large practical interest as it allows the realization of all-solid-state Na batteries without strong interfering resistances from grain boundaries.

Interaction of the dopants Mg and Si in Al xGa 1- x As/GaAs heterolayers (MOVPE): application to DQW laser structures

NASA Astrophysics Data System (ADS)

Korte, L.; Treichler, R.; Schreiber, M.; Tanner, Ch.; Kristen, G.; Hanke, C.; Weimann, G.

1991-01-01

The interaction of Mg and Si has been studied in GaAs/Al xGa 1- xAs DQW laser structures with a 50 nm Si diffusion barrier. The samples have been exposed to capless heat treatments at 860°C and under Si/SiO 2 and Si 3N 4 cap layers, and were analysed by SIMS. The Mg diffusion is highly dependent on the surface conditions during heating. A Si barrier is effective for temperature treatments under H 2/AsH 3 and Si/SiO 2. It is not effective under a Si 3N 4 cap where we detected very fast Mg diffusion. The Mg diffusion behaviour is discussed in terms of Si-Mg interaction and the influence of crystal defects.

In situ formed Si nanoparticle network with micron-sized Si particles for lithium-ion battery anodes.

PubMed

Wu, Mingyan; Sabisch, Julian E C; Song, Xiangyun; Minor, Andrew M; Battaglia, Vincent S; Liu, Gao

2013-01-01

To address the significant challenges associated with large volume change of micrometer-sized Si particles as high-capacity anode materials for lithium-ion batteries, we demonstrated a simple but effective strategy: using Si nanoparticles as a structural and conductive additive, with micrometer-sized Si as the main lithium-ion storage material. The Si nanoparticles connected into the network structure in situ during the charge process, to provide electronic connectivity and structure stability for the electrode. The resulting electrode showed a high specific capacity of 2500 mAh/g after 30 cycles with high initial Coulombic efficiency (73%) and good rate performance during electrochemical lithiation and delithiation: between 0.01 and 1 V vs Li/Li(+).

Preparation, characterization and luminescence properties of core-shell ternary terbium composites SiO2(600)@Tb(MABA-Si)•L

NASA Astrophysics Data System (ADS)

Ma, Yang-Yang; Li, Wen-Xian; Zheng, Yu-Shan; Bao, Jin-Rong; Li, Yi-Lian; Feng, Li-Na; Yang, Kui-Suo; Qiao, Yan; Wu, An-Ping

2018-03-01

Two novel core-shell structure ternary terbium composites SiO2(600)@Tb(MABA-Si)·L(L:dipy/phen) nanometre luminescence materials were prepared by ternary terbium complexes Tb(MABA-Si)·L2·(ClO4)3·2H2O shell grafted onto the surface of SiO2 microspheres. And corresponding ternary terbium complexes were synthesized using (CONH(CH2)3Si(OCH2CH3)3)2 (denoted as MABA-Si) as first ligand and L as second ligand coordinated with terbium perchlorate. The as-synthesized products were characterized by means of IR spectra, 1HNMR, element analysis, molar conductivity, SEM and TEM. It was found that the first ligand MABA-Si of terbium ternary complex hydrolysed to generate the Si-OH and the Si-OH condensate with the Si-OH on the surface of SiO2 microspheres; then ligand MABA-Si grafted onto the surface of SiO2 microspheres. The diameter of SiO2 core of SiO2(600)@Tb(MABA-Si)·L was approximately 600 nm. Interestingly, the luminescence properties demonstrate that the two core-shell structure ternary terbium composites SiO2(600)Tb(MABA-Si)·L(dipy/phen) exhibit strong emission intensities, which are 2.49 and 3.35 times higher than that of the corresponding complexes Tb(MABA-Si)·L2·(ClO4)3·2H2O, respectively. Luminescence decay curves show that core-shell structure ternary terbium composites have longer lifetime. Excellent luminescence properties enable the core-shell materials to have potential applications in medicine, industry, luminescent fibres and various biomaterials fields.

Preparation, characterization and luminescence properties of core-shell ternary terbium composites SiO2(600)@Tb(MABA-Si)•L.

PubMed

Ma, Yang-Yang; Li, Wen-Xian; Zheng, Yu-Shan; Bao, Jin-Rong; Li, Yi-Lian; Feng, Li-Na; Yang, Kui-Suo; Qiao, Yan; Wu, An-Ping

2018-03-01

Two novel core-shell structure ternary terbium composites SiO 2(600) @Tb(MABA-Si)·L(L:dipy/phen) nanometre luminescence materials were prepared by ternary terbium complexes Tb(MABA-Si)·L 2 ·(ClO 4 ) 3 ·2H 2 O shell grafted onto the surface of SiO 2 microspheres. And corresponding ternary terbium complexes were synthesized using (CONH(CH 2 ) 3 Si(OCH 2 CH 3 ) 3 ) 2 (denoted as MABA-Si) as first ligand and L as second ligand coordinated with terbium perchlorate. The as-synthesized products were characterized by means of IR spectra, 1 HNMR, element analysis, molar conductivity, SEM and TEM. It was found that the first ligand MABA-Si of terbium ternary complex hydrolysed to generate the Si-OH and the Si-OH condensate with the Si-OH on the surface of SiO 2 microspheres; then ligand MABA-Si grafted onto the surface of SiO 2 microspheres. The diameter of SiO 2 core of SiO 2(600) @Tb(MABA-Si)·L was approximately 600 nm. Interestingly, the luminescence properties demonstrate that the two core-shell structure ternary terbium composites SiO 2(600) Tb(MABA-Si)·L(dipy/phen) exhibit strong emission intensities, which are 2.49 and 3.35 times higher than that of the corresponding complexes Tb(MABA-Si)·L 2 ·(ClO 4 ) 3 ·2H 2 O, respectively. Luminescence decay curves show that core-shell structure ternary terbium composites have longer lifetime. Excellent luminescence properties enable the core-shell materials to have potential applications in medicine, industry, luminescent fibres and various biomaterials fields.

Sleep disruption increases seizure susceptibility: Behavioral and EEG evaluation of an experimental model of sleep apnea.

PubMed

Hrnčić, Dragan; Grubač, Željko; Rašić-Marković, Aleksandra; Šutulović, Nikola; Šušić, Veselinka; Bjekić-Macut, Jelica; Stanojlović, Olivera

2016-03-01

Sleep disruption accompanies sleep apnea as one of its major symptoms. Obstructive sleep apnea is particularly common in patients with refractory epilepsy, but causing factors underlying this are far from being resolved. Therefore, translational studies regarding this issue are important. Our aim was to investigate the effects of sleep disruption on seizure susceptibility of rats using experimental model of lindane-induced refractory seizures. Sleep disruption in male Wistar rats with implanted EEG electrodes was achieved by treadmill method (belt speed set on 0.02 m/s for working and 0.00 m/s for stop mode, respectively). Animals were assigned to experimental conditions lasting 6h: 1) sleep disruption (sleep interrupted, SI; 30s working and 90 s stop mode every 2 min; 180 cycles in total); 2) activity control (AC, 10 min working and 30 min stop mode, 9 cycles in total); 3) treadmill chamber control (TC, only stop mode). Afterwards, the animals were intraperitoneally treated with lindane (L, 4 mg/kg, SI+L, AC+L and TC+L groups) or dimethylsulfoxide (DMSO, SIc, ACc and TCc groups). Convulsive behavior was assessed by seizure incidence, latency time to first seizure, and its severity during 30 min after drug administration. Number and duration of ictal periods were determined in recorded EEGs. Incidence and severity of lindane-induced seizures were significantly increased, latency time significantly decreased in animals undergoing sleep disruption (SI+L group) compared with the animals from TC+L. Seizure latency was also significantly decreased in SI+L compared to AC+L groups. Number of ictal periods were increased and duration of it presented tendency to increase in SI+L comparing to AC+L. No convulsive signs were observed in TCc, ACc and SIc groups, as well as no ictal periods in EEG. These results indicate sleep disruption facilitates induction of epileptic activity in rodent model of lindane-epilepsy enabling translational research of this phenomenon. Copyright © 2015 Elsevier Inc. All rights reserved.

Dissecting Pistil Responses to Incompatible and Compatible Pollen in Self-Incompatibility Brassica oleracea Using Comparative Proteomics.

PubMed

Zeng, Jing; Gao, Qiguo; Shi, Songmei; Lian, Xiaoping; Converse, Richard; Zhang, Hecui; Yang, Xiaohong; Ren, Xuesong; Chen, Song; Zhu, Liquan

2017-04-01

Angiosperms have developed self-incompatibility (SI) systems to reject self-pollen, thereby promoting outcrossing. The Brassicaceae belongs to typical sporophytic system, having a single S-locus controlled SI response, and was chosen as a model system to study SI-related intercellular signal transduction. In this regard, the downstream factor of EXO70A1 was unknown. Here, protein two-dimensional electrophoresis (2-DE) method and coupled with matrix-assisted laser desorption ionization/time of flight of flight mass spectrometry (MALDI-TOF -MS) and peptide mass fingerprinting (PMF) was used to further explore the mechanism of SI responses in Brassica oleracea L. var. capitata L. at protein level. To further confirm the time point of protein profile change, total proteins were collected from B. oleracea pistils at 0 min, 1 h, and 2 h after self-pollination. In total 902, 1088 and 1023 protein spots were separated in 0 min, 1 h and 2 h 2-DE maps, respectively. Our analyses of self-pollination profiles indicated that proteins mainly changed at 1 h post-pollination in B. oleracea. Moreover, 1077 protein spots were separated in cross-pollinated 1 h (CP) pistil 2-DE map. MALDI-TOF-MS and PMF successfully identified 34 differentially-expressed proteins (DEPs) in SP and CP 1 h 2-DE maps. Gene ontology and KEGG analysis revealed an array of proteins grouped in the following categories: stress and defense response (35%), protein metabolism (18%), carbohydrate and energy metabolism (12%), regulation of translation (9%), pollen tube development (12%), transport (9%) and cytoskeletal (6%). Sets of DEPs identified specifically in SP or only up-regulated expressed in CP pistils were chosen for funther investigating in floral organs and during the process of self- and cross-pollination. The function of these DEPs in terms of their potential involvement in SI in B. oleracea is discussed.

Chemical and structural order in silicon oxynitrides by methods of surface physics

NASA Astrophysics Data System (ADS)

Finster, J.; Heeg, J.; Klinkenberg, E.-D.

A large number of thin amorphous layers of SiO xN y and several (crystalline) reference compounds (SiO 2, Si 3N 4, Si 2N 2O) are studied. Although XANES and SEXAFS are well sulted to derive structural and chemical order, for these compounds many problems remain to be solved. We show how core level spectra (XPS, AES) can be used to gain such information (e.g. random bonding structure, N coordination, oxidation behaviour).

Hole injection and dielectric breakdown in 6H-SiC and 4H-SiC metal-oxide-semiconductor structures during substrate electron injection via Fowler-Nordheim tunneling

NASA Astrophysics Data System (ADS)

Samanta, Piyas; Mandal, Krishna C.

2015-12-01

Hole injection into silicon dioxide (SiO2) films (8-40 nm thick) is investigated for the first time during substrate electron injection via Fowler-Nordheim (FN) tunneling in n-type 4H- and 6H-SiC (silicon carbide) based metal-oxide-semiconductor (MOS) structures at a wide range of temperatures (T) between 298 and 598 K and oxide electric fields Eox from 6 to 10 MV/cm. Holes are generated in heavily doped n-type polycrystalline silicon (n+ -polySi) gate serving as the anode as well as in the bulk silicon dioxide (SiO2) film via hot-electron initiated band-to-band ionization (BTBI). In absence of oxide trapped charges, it is shown that at a given temperature, the hole injection rates from either of the above two mechanisms are higher in n-4H-SiC MOS devices than those in n-6H-SiC MOS structures when compared at a given Eox and SiO2 thickness (tox). On the other hand, relative to n-4H-SiC devices, n-6H-SiC structures exhibit higher hole injection rates for a given tox during substrate electron injection at a given FN current density je,FN throughout the temperature range studied here. These two observations clearly reveal that the substrate material (n-6H-SiC and n-4H-SiC) dependencies on time-to-breakdown (tBD) or injected charge (electron) to breakdown (QBD) of the SiO2 film depend on the mode of FN injections (constant field/voltage and current) from the substrate which is further verified from the rigorous device simulation as well.

Tuning the Outward to Inward Swelling in Lithiated Silicon Nanotubes via Surface Oxide Coating

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Jiangwei; Luo, Hao; Liu, Yang

2016-09-14

The electrochemically-induced mechanical degradation hinders the application of Si anodes in advanced lithium-ion batteries. Hollow structures and surface coatings have been often used to mitigate the degradation of Si-based anodes. However, the structural change and degradation mechanism during lithiation/delithiation of hollow Si structures with coatings remain unclear. Here, we combine in situ TEM experiment and chemomechanical modeling to study the electrochemically induced swelling of amorphous-Si (a-Si) nanotubes with different thicknesses of surface SiOx layers. Surprisingly, we find that no inward expansion occurs at the inner surface during lithiation of a-Si nanotubes with native oxides. In contrast, inward expansion can bemore » induced by increasing the thickness of SiOx on the outer surface. Moreover, both the sandwich lithiation mechanism and two-stage lithiation process in a-Si nanotubes remain unchanged with the increasing thickness of surface coatings. Our chemomechanical modeling reveals the mechanical confinement effects in lithiated a-Si nanotubes with and without SiOx coatings. This work not only provides insights into the degradation of nanotube anodes with surface coatings, but also sheds light onto the optimal design of hollow anodes for high-performance lithium-ion batteries.« less

Crystallization of silicon-germanium by aluminum-induced layer exchange

NASA Astrophysics Data System (ADS)

Isomura, Masao; Yajima, Masahiro; Nakamura, Isao

2018-02-01

We have studied the crystallization of amorphous silicon-germanium (a-SiGe) by aluminum (Al)-induced layer exchange (ALILE) with a starting structure of glass/Al/Al oxide/a-SiGe. We examined ALILE at 450 °C, which is slightly higher than the eutectic temperature of Ge and Al, in order to shorten the ALILE time. We successfully produced c-SiGe films oriented in the (111) direction for 16 h without significant alloying. The thickness of Al layers should be 2800 Å or more to complete the ALILE for the a-SiGe layers of 2000-2800 Å thickness. When the Al layer is as thick as the a-SiGe layer, almost uniform c-SiGe is formed on the glass substrate. On the other hand, the islands of c-SiGe are formed on the glass substrate when the Al layer is thicker than the a-SiGe layer. The islands become smaller with thicker Al layers because more excess Al remains between the SiGe islands. The results indicate that the configuration of c-SiGe can be altered from a uniform structure to island structures of various sizes by changing the ratio of a-SiGe thickness to Al thickness.

Study of Direct-Contact HfO2/Si Interfaces

PubMed Central

Miyata, Noriyuki

2012-01-01

Controlling monolayer Si oxide at the HfO2/Si interface is a challenging issue in scaling the equivalent oxide thickness of HfO2/Si gate stack structures. A concept that the author proposes to control the Si oxide interface by using ultra-high vacuum electron-beam HfO2 deposition is described in this review paper, which enables the so-called direct-contact HfO2/Si structures to be prepared. The electrical characteristics of the HfO2/Si metal-oxide-semiconductor capacitors are reviewed, which suggest a sufficiently low interface state density for the operation of metal-oxide-semiconductor field-effect-transistors (MOSFETs) but reveal the formation of an unexpected strong interface dipole. Kelvin probe measurements of the HfO2/Si structures provide obvious evidence for the formation of dipoles at the HfO2/Si interfaces. The author proposes that one-monolayer Si-O bonds at the HfO2/Si interface naturally lead to a large potential difference, mainly due to the large dielectric constant of the HfO2. Dipole scattering is demonstrated to not be a major concern in the channel mobility of MOSFETs. PMID:28817060

The functional dissection of the plasma corona of SiO₂-NPs spots histidine rich glycoprotein as a major player able to hamper nanoparticle capture by macrophages.

PubMed

Fedeli, Chiara; Segat, Daniela; Tavano, Regina; Bubacco, Luigi; De Franceschi, Giorgia; de Laureto, Patrizia Polverino; Lubian, Elisa; Selvestrel, Francesco; Mancin, Fabrizio; Papini, Emanuele

2015-11-14

A coat of strongly-bound host proteins, or hard corona, may influence the biological and pharmacological features of nanotheranostics by altering their cell-interaction selectivity and macrophage clearance. With the goal of identifying specific corona-effectors, we investigated how the capture of amorphous silica nanoparticles (SiO2-NPs; Ø = 26 nm; zeta potential = -18.3 mV) by human lymphocytes, monocytes and macrophages is modulated by the prominent proteins of their plasma corona. LC MS/MS analysis, western blotting and quantitative SDS-PAGE densitometry show that Histidine Rich Glycoprotein (HRG) is the most abundant component of the SiO2-NP hard corona in excess plasma from humans (HP) and mice (MP), together with minor amounts of the homologous Kininogen-1 (Kin-1), while it is remarkably absent in their Foetal Calf Serum (FCS)-derived corona. HRG binds with high affinity to SiO2-NPs (HRG Kd ∼2 nM) and competes with other plasma proteins for the NP surface, so forming a stable and quite homogeneous corona inhibiting nanoparticles binding to the macrophage membrane and their subsequent uptake. Conversely, in the case of lymphocytes and monocytes not only HRG but also several common plasma proteins can interchange in this inhibitory activity. The depletion of HRG and Kin-1 from HP or their plasma exhaustion by increasing NP concentration (>40 μg ml(-1) in 10% HP) lead to a heterogeneous hard corona, mostly formed by fibrinogen (Fibr), HDLs, LDLs, IgGs, Kallikrein and several minor components, allowing nanoparticle binding to macrophages. Consistently, the FCS-derived SiO2-NP hard corona, mainly formed by hemoglobin, α2 macroglobulin and HDLs but lacking HRG, permits nanoparticle uptake by macrophages. Moreover, purified HRG competes with FCS proteins for the NP surface, inhibiting their recruitment in the corona and blocking NP macrophage capture. HRG, the main component of the plasma-derived SiO2-NPs' hard corona, has antiopsonin characteristics and uniquely confers to these particles the ability to evade macrophage capture.

iTRAQ-based proteomic analysis reveals the mechanisms of silicon-mediated cadmium tolerance in rice (Oryza sativa) cells.

PubMed

Ma, Jie; Sheng, Huachun; Li, Xiuli; Wang, Lijun

2016-07-01

Silicon (Si) can alleviate cadmium (Cd) stress in rice (Oryza sativa) plants, however, the understanding of the molecular mechanisms at the single-cell level remains limited. To address these questions, we investigated suspension cells of rice cultured in the dark environment in the absence and presence of Si with either short- (12 h) or long-term (5 d) Cd treatments using a combination of isobaric tags for relative and absolute quantitation (iTRAQ), fluorescent staining, and inductively coupled plasma mass spectroscopy (ICP-MS). We identified 100 proteins differentially regulated by Si under the short- or long-term Cd stress. 70% of these proteins were down-regulated, suggesting that Si may improve protein use efficiency by maintaining cells in the normal physiological status. Furthermore, we showed two different mechanisms for Si-mediated Cd tolerance. Under the short-term Cd stress, the Si-modified cell walls inhibited the uptake of Cd ions into cells and consequently reduced the expressions of glycosidase, cell surface non-specific lipid-transfer proteins (nsLTPs), and several stress-related proteins. Under the long-term Cd stress, the amount of Cd in the cytoplasm in Si-accumulating (+Si) cells was decreased by compartmentation of Cd into vacuoles, thus leading to a lower expression of glutathione S-transferases (GST). These results provide protein-level insights into the Si-mediated Cd detoxification in rice single cells. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

Effect of wheel speed on magnetic and mechanical properties of melt spun Fe-6.5 wt.% Si high silicon steel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ouyang, Gaoyuan; Jensen, Brandt; Tang, Wei

Here, Fe-Si electric steel is the most widely used soft magnetic material in electric machines and transformers. Increasing the silicon content from 3.2 wt.% to 6.5 wt.% brings about large improvement in the magnetic and electrical properties. However, 6.5 wt.% silicon steel is inherited with brittleness owing to the formation of B2 and D0 3 ordered phase. To obtain ductility in Fe-6.5wt.% silicon steel, the ordered phase has to be bypassed with methods like rapid cooling. In present paper, the effect of cooling rate on magnetic and mechanical properties of Fe-6.5wt.% silicon steel is studied by tuning the wheel speedmore » during melt spinning process. The cooling rate significantly alters the ordering and microstructure, and thus the mechanical and magnetic properties. X-ray diffraction data shows that D0 3 ordering was fully suppressed at high wheel speeds but starts to nucleate at 10m/s and below, which correlates with the increase of Young’s modulus towards low wheel speeds as tested by nanoindentation. The grain sizes of the ribbons on the wheel side decrease with increasing wheel speeds, ranging from ~100 μm at 1m/s to ~8 μm at 30m/s, which lead to changes in coercivity.« less

Effect of wheel speed on magnetic and mechanical properties of melt spun Fe-6.5 wt.% Si high silicon steel

DOE PAGES

Ouyang, Gaoyuan; Jensen, Brandt; Tang, Wei; ...

2017-12-19

Here, Fe-Si electric steel is the most widely used soft magnetic material in electric machines and transformers. Increasing the silicon content from 3.2 wt.% to 6.5 wt.% brings about large improvement in the magnetic and electrical properties. However, 6.5 wt.% silicon steel is inherited with brittleness owing to the formation of B2 and D0 3 ordered phase. To obtain ductility in Fe-6.5wt.% silicon steel, the ordered phase has to be bypassed with methods like rapid cooling. In present paper, the effect of cooling rate on magnetic and mechanical properties of Fe-6.5wt.% silicon steel is studied by tuning the wheel speedmore » during melt spinning process. The cooling rate significantly alters the ordering and microstructure, and thus the mechanical and magnetic properties. X-ray diffraction data shows that D0 3 ordering was fully suppressed at high wheel speeds but starts to nucleate at 10m/s and below, which correlates with the increase of Young’s modulus towards low wheel speeds as tested by nanoindentation. The grain sizes of the ribbons on the wheel side decrease with increasing wheel speeds, ranging from ~100 μm at 1m/s to ~8 μm at 30m/s, which lead to changes in coercivity.« less

Effect of wheel speed on magnetic and mechanical properties of melt spun Fe-6.5 wt.% Si high silicon steel

NASA Astrophysics Data System (ADS)

Ouyang, Gaoyuan; Jensen, Brandt; Tang, Wei; Dennis, Kevin; Macziewski, Chad; Thimmaiah, Srinivasa; Liang, Yongfeng; Cui, Jun

2018-05-01

Fe-Si electric steel is the most widely used soft magnetic material in electric machines and transformers. Increasing the silicon content from 3.2 wt.% to 6.5 wt.% brings about large improvement in the magnetic and electrical properties. However, 6.5 wt.% silicon steel is inherited with brittleness owing to the formation of B2 and D03 ordered phase. To obtain ductility in Fe-6.5wt.% silicon steel, the ordered phase has to be bypassed with methods like rapid cooling. In present paper, the effect of cooling rate on magnetic and mechanical properties of Fe-6.5wt.% silicon steel is studied by tuning the wheel speed during melt spinning process. The cooling rate significantly alters the ordering and microstructure, and thus the mechanical and magnetic properties. X-ray diffraction data shows that D03 ordering was fully suppressed at high wheel speeds but starts to nucleate at 10m/s and below, which correlates with the increase of Young's modulus towards low wheel speeds as tested by nanoindentation. The grain sizes of the ribbons on the wheel side decrease with increasing wheel speeds, ranging from ˜100 μm at 1m/s to ˜8 μm at 30m/s, which lead to changes in coercivity.

Sponge-like Si-SiO2 nanocomposite—Morphology studies of spinodally decomposed silicon-rich oxide

NASA Astrophysics Data System (ADS)

Friedrich, D.; Schmidt, B.; Heinig, K. H.; Liedke, B.; Mücklich, A.; Hübner, R.; Wolf, D.; Kölling, S.; Mikolajick, T.

2013-09-01

Sponge-like Si nanostructures embedded in SiO2 were fabricated by spinodal decomposition of sputter-deposited silicon-rich oxide with a stoichiometry close to that of silicon monoxide. After thermal treatment a mean feature size of about 3 nm was found in the phase-separated structure. The structure of the Si-SiO2 nanocomposite was investigated by energy-filtered transmission electron microscopy (EFTEM), EFTEM tomography, and atom probe tomography, which revealed a percolated Si morphology. It was shown that the percolation of the Si network in 3D can also be proven on the basis of 2D EFTEM images by comparison with 3D kinetic Monte Carlo simulations.

Synthesis and structural property of Si nanosheets connected to Si nanowires using MnCl2/Si powder source

NASA Astrophysics Data System (ADS)

Meng, Erchao; Ueki, Akiko; Meng, Xiang; Suzuki, Hiroaki; Itahara, Hiroshi; Tatsuoka, Hirokazu

2016-08-01

Si nanosheets connected to Si nanowires were synthesized using a MnCl2/Si powder source with an Au catalyst. The synthesis method has benefits in terms of avoiding conventionally used air-sensitive SiH4 or SiCl4. The existence of the Si nanosheets connected to the Si<111> nanowires, like sprouts or leaves with petioles, was observed, and the surface of the nanosheets was Si{111}. The nanosheets were grown in the growth direction of <211> perpendicular to that of the Si nanowires. It was evident from these structural features of the nanosheets that the nanosheets were formed by the twin-plane reentrant-edge mechanism. The feature of the observed lattice fringes, which do not appear for Si bulk crystals, of the Si(111) nanosheets obtained by high resolution transmission electron microscopy was clearly explained due to the extra diffraction spots that arose by the reciprocal lattice streaking effect.

Multi-technology Investigation of the Atomic Structure of Calcium Silicate Hydrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Geng, Guoqing; Kilcoyne, David A.; Benmore, Chris J.

2015-01-01

In this study, synthetic C-S-H samples were investigated to reveal the feature at atomic scale. Rietveld refinement was applied to high resolution X-ray scattering data, yielding the lattice constants of the pseudocrystal structure, as well as the crystallinity along three axes. Near Edge X-ray Absorption Fine Structure (NEXAFS) spectra was collected at calcium L3,2-edge. Evolution of calcium coordination symmetry were studied by investigating spectra characteristics. Pair Distribution Function (PDF) study yields the statistics of atom pair distribution. Coordination number of Ca and Si were obtained by integrating Radial distribution function. Atomic model based on dimeric structure were discussed and comparedmore » with experimental data. Synthetic C-S-H samples with increasing Ca/Si ratio exhibit pseudo-crystal structure, resembling Dreierketten configuration similar to natural tobermorite structure. Along c-axis, the repeated structure could not survives two layers in case of low Ca/Si ratio (0.70, 1.05). But in high Ca/Si ratio (1.42) case, the crystallinity along c-axis is much bigger. The coordination number of Ca decreases with increasing Ca/Si ratio. Octahedrally coordinated Ca are observed in sample with Ca/Si ratio of 1.42. Various dimeric models are compared with experimental data. In case of Ca/Si ratio of 1.42, SiO4 tetrahedron chain needs to be shortened in linkage, most probably by substituting bridging SiO4 tetrahedron with CaO6 octahedron. These octahedrons in interlayer space act like pins to join two adjacent layer structures together. The crystallinity is thus increased along c-axis, and average coordination number is therefore reduced. In case of Ca/Si 1.05, crystallinity is low along c-axis since, indicating that not too many Ca ions exist in interlayer space to hold two layers together. Instead, negative charge of end oxygen could be balanced by proton. Ca/Si 0.70 has long tetrahedron chain linkage within layer while the linkage between adjacent layers are not strong, resulting in low crystallinity along c-axis. Neither Ca/Si ratio 0.70 nor 1.42 sample contains any Ca in octahedral symmetry, as indicated by the weak crystal field splitting of NEXAFS spectra.« less

Transport properties and electronic structure of Na0.28PtSi

NASA Astrophysics Data System (ADS)

Itahara, Hiroshi; Suzumura, Akitoshi; Oh, Song-Yul

2017-07-01

We have investigated the electronic structure and properties of Na0.28PtSi, which is a Pt-based intermetallic compound with no reported physical properties. Na0.28PtSi powder with an average grain size of 15 µm was demonstrated to be stable in a strongly acidic aqueous solution. The ab initio calculations revealed that there is a band crossing the Fermi level and that the density of states (DOS) under the Fermi level mainly consists of d orbitals of Pt atoms. Here, we used the model of Na0.25PtSi with an approximately ordered structure (space group I4, full Na site occupation), which was set instead of the reported statistically disordered structure of Na0.28PtSi (I4/mcm, Na site occupancy: 0.258). The calculated electronic structure corresponded to the measured metallic properties of the Na0.28PtSi sintered body: i.e., the electrical resistivity of Na0.28PtSi was increased from 1.77 × 10-8 Ω m at 30 K to 2.67 × 10-7 Ω m at 300 K and the Seebeck coefficient was 0.11 µV K-1 at 300 K.

Silacyanogen

NASA Astrophysics Data System (ADS)

Ignatyev, Igor S.; Schaefer, Henry F., III

1997-10-01

Structures of all possible linear isomers of the Si-substituted cyanogen were optimized at the SCF, B3LYP, MP2, and CCSD levels of theory. At all levels of theory the most stable isomer was found to be SiNCN, while for cyanogen the most stable structure is well known to be NCCN. The theoretical ordering of the stability of the acyclic structures is SiNCN>SiNNO>NSiCN>NSiNC. The difference in the order of stability of silacyanogen and cyanogen isomers is rationalized, taking into account the position of the unpaired electron on carbon in the CN radical and that on nitrogen in the SiN radical.

Non-traditional isotopes in analytical ecogeochemistry assessed by MC-ICP-MS

NASA Astrophysics Data System (ADS)

Prohaska, Thomas; Irrgeher, Johanna; Horsky, Monika; Hanousek, Ondřej; Zitek, Andreas

2014-05-01

Analytical ecogeochemistry deals with the development and application of tools of analytical chemistry to study dynamic biological and ecological processes within ecosystems and across ecosystem boundaries in time. It can be best described as a linkage between modern analytical chemistry and a holistic understanding of ecosystems ('The total human ecosystem') within the frame of transdisciplinary research. One focus of analytical ecogeochemistry is the advanced analysis of elements and isotopes in abiotic and biotic matrices and the application of the results to basic questions in different research fields like ecology, environmental science, climatology, anthropology, forensics, archaeometry and provenancing. With continuous instrumental developments, new isotopic systems have been recognized for their potential to study natural processes and well established systems could be analyzed with improved techniques, especially using multi collector inductively coupled plasma mass spectrometry (MC-ICP-MS). For example, in case of S, isotope ratio measurements at high mass resolution could be achieved at much lower S concentrations with ICP-MS as compared to IRMS, still keeping suitable uncertainty. Almost 50 different isotope systems have been investigated by ICP-MS, so far, with - besides Sr, Pb and U - Ca, Mg, Cd, Li, Hg, Si, Ge and B being the most prominent and considerably pushing the limits of plasma based mass spectrometry also by applying high mass resolution. The use of laser ablation in combination with MC-ICP-MS offers the possibility to achieve isotopic information on high spatial (µm-range) and temporal scale (in case of incrementally growing structures). The information gained with these analytical techniques can be linked between different hierarchical scales in ecosystems, offering means to better understand ecosystem processes. The presentation will highlight the use of different isotopic systems in ecosystem studies accomplished by ICP-MS. Selected examples on combining isotopic systems for the study of ecosystem processes on different spatial scales will underpin the great opportunities substantiated by the field of analytical ecogeochemistry. Moreover, recent developments in plasma mass spectrometry and the application of new isotopic systems require sound metrological approaches in order to prevent scientific conclusions drawn from analytical artifacts.

Crystal structures of K2[XSi5O12] (X = Fe2+, Co, Zn) and Rb2[XSi5O12] (X = Mn) leucites: comparison of monoclinic P21/c and Ia{\\overline 3}d polymorph structures and inverse relationship between tetrahedral cation (T = Si and X)-O bond distances and intertetrahedral T-O-T angles.

PubMed

Bell, Anthony M T; Henderson, C Michael B

2018-06-01

The leucite tectosilicate mineral analogues K 2 X 2+ Si 5 O 12 (X = Fe 2+ , Co, Zn) and Rb 2 X 2+ Si 5 O 12 (X = Mn) have been synthesized at elevated temperatures both dry at atmospheric pressure and at controlled water vapour pressure; for X = Co and Zn both dry and hydrothermally synthesized samples are available. Rietveld refinement of X-ray data for hydrothermal K 2 X 2+ Si 5 O 12 (X = Fe 2+ , Co, Zn) samples shows that they crystallize in the monoclinic space group P2 1 /c and have tetrahedral cations (Si and X) ordered onto distinct framework sites [cf. hydrothermal K 2 MgSi 5 O 12 ; Bell et al. (1994a), Acta Cryst. B50, 560-566]. Dry-synthesized K 2 X 2+ Si 5 O 12 (X = Co, Zn) and Rb 2 X 2+ Si 5 O 12 (X = Mn) samples crystallize in the cubic space group Ia{\\overline 3}d and with Si and X cations disordered in the tetrahedral framework sites as typified by dry K 2 MgSi 5 O 12 . Both structure types have tetrahedrally coordinated SiO 4 and XO 4 sharing corners to form a partially substituted silicate framework. Extraframework K + and Rb + cations occupy large channels in the framework. Structural data for the ordered samples show that mean tetrahedral Si-O and X-O bond lengths cover the ranges 1.60 Å (Si-O) to 2.24 Å (Fe 2+ -O) and show an inverse relationship with the intertetrahedral angles (T-O-T) which range from 144.7° (Si-O-Si) to 124.6° (Si-O-Fe 2+ ). For the compositions with both disordered and ordered tetrahedral cation structures (K 2 MgSi 5 O 12 , K 2 CoSi 5 O 12 , K 2 ZnSi 5 O 12 , Rb 2 MnSi 5 O 12 and Cs 2 CuSi 5 O 12 leucites) the disordered polymorphs always have larger unit-cell volumes, larger intertetrahedral T-O-T angles and smaller mean T-O distances than their isochemical ordered polymorphs. The ordered samples clearly have more flexible frameworks than the disordered structures which allow the former to undergo a greater degree of tetrahedral collapse around the interframework cavity cations. Multivariant linear regression has been used to develop equations to predict intertetrahedral T-O-T angle variation depending on the independent variables Si-O and X-O bond lengths, cavity cation ideal radius, intratetrahedral (O-T-O) angle variance, and X cation electronegativity.

The (2×2) reconstructions on the surface of cobalt silicides: Atomic configuration at the annealed Co/Si(111) interface

NASA Astrophysics Data System (ADS)

Kotlyar, V. G.; Alekseev, A. A.; Olyanich, D. A.; Utas, T. V.; Zotov, A. V.; Saranin, A. A.

2017-08-01

We have used scanning tunneling microscopy (STM) and ab initio total-energy calculations to characterize surface and interfacial structure of Co-Si(111) system. It has been found experimentally that two different types of the (2×2) surface structures occur. The coexistence of two phases is demonstrated by the example of STM image of the surface formed at the early stages of cobalt silicide formation under moderate annealing temperatures (500 °C). The measured height difference between the adjacent (2×2) reconstructed patches equal to about 1.0 Å (as determined from the filled-state STM images). In addition, the shift of the atomic rows by half of the row spacing is observed. Two adatom models of the (2×2) surface structures are developed. According to our data, these structures are assigned to CaF2-type CoSi2 and CsCl-type CoSi with a (2×2) array of Si adatoms on their surfaces. If the latter is the case, it has а coherent double interface CoSi/CoSi2/Si(111) with a two-layer CoSi2. Both of these interfaces are characterized by the eightfold cobalt coordination and incorporate a grown-in stacking fault.

Dry sliding wear behavior of Al 2219/SiCp-Gr hybrid metal matrix composites

NASA Astrophysics Data System (ADS)

Basavarajappa, S.; Chandramohan, G.; Mukund, K.; Ashwin, M.; Prabu, M.

2006-12-01

The dry sliding wear behavior of Al 2219 alloy and Al 2219/SiCp/Gr hybrid composites are investigated under similar conditions. The composites are fabricated using the liquid metallurgy technique. The dry sliding wear test is carried out for sliding speeds up to 6 m/s and for normal loads up to 60 N using a pin on disc apparatus. It is found that the addition of SiCp and graphite reinforcements increases the wear resistance of the composites. The wear rate decreases with the increase in SiCp reinforcement content. As speed increases, the wear rate decreases initially and then increases. The wear rate increases with the increase in load. Scanning electron microscopy micrographs of the worn surface are used to predict the nature of the wear mechanism. Abrasion is the principle wear mechanism for the composites at low sliding speeds and loads. At higher loads, the wear mechanism changes to delamination.

A high-performance ternary Si composite anode material with crystal graphite core and amorphous carbon shell

NASA Astrophysics Data System (ADS)

Sui, Dong; Xie, Yuqing; Zhao, Weimin; Zhang, Hongtao; Zhou, Ying; Qin, Xiting; Ma, Yanfeng; Yang, Yong; Chen, Yongsheng

2018-04-01

Si is a promising anode material for lithium-ion batteries, but suffers from sophisticated engineering structures and complex fabrication processes that pose challenges for commercial application. Herein, a ternary Si/graphite/pyrolytic carbon (SiGC) anode material with a structure of crystal core and amorphous shell using low-cost raw materials is developed. In this ternary SiGC composite, Si component exists as nanoparticles and is spread on the surface of the core graphite flakes while the sucrose-derived pyrolytic carbon further covers the graphite/Si components as the amorphous shell. With this structure, Si together with the graphite contributes to the high specific capacity of this Si ternary material. Also the graphite serves as the supporting and conducting matrix and the amorphous shell carbon could accommodate the volume change effect of Si, reinforces the integrity of the composite architecture, and prevents the graphite and Si from direct exposing to the electrolyte. The optimized ternary SiGC composite displays high reversible specific capacity of 818 mAh g-1 at 0.1 A g-1, initial Coulombic efficiency (CE) over 80%, and excellent cycling stability at 0.5 A g-1 with 83.6% capacity retention (∼610 mAh g-1) after 300 cycles.

A density functional study of silicon fullerene endohedral X@Si20F20 and exohedral X-Si20F20 (X=O2-, S2-, Se2-) complexes

NASA Astrophysics Data System (ADS)

Behzadi, Hadi; Esrafili, Mehdi D.; Manzetti, Sergio; Roonasi, Payman

2014-02-01

This study reports the structure and electronic properties of three stable endohedral X@Si20F20 and exohedral X-Si20F20 (X=O2-, S2-, Se2-) complexes. The study revealed that the endohedral complexes with S2- and Se2- result as energy minimum structures, with the guest anion located in the cage center. In the case of endohedral O2--complexes, the pattern is quite different whereas the O2- complexes dramatically deviated from the architecture of S2- and Se2-, by having O2- located toward one of silicon atoms in the cage. With respect to the exohedral form, the energy minimized structure is obtained by positioning the anion between two silicon atoms and forming two Si-X bonds. For both cases, the strength of the interactions is calculated to increase accordingly to the pattern: Se2-@Si20F20 (Se2--Si20F20)

New structure of high-pressure body-centered orthorhombic Fe 2SiO 4

DOE PAGES

Yamanaka, Takamitsu; Kyono, Atsushi; Nakamoto, Yuki; ...

2015-08-01

Here, a structural change in Fe 2SiO 4 spinel and the structure of a new high pressure phase are determined by Rietveld 26 profile fitting of x-ray diffraction data up to 64 GPa at ambient temperature. The compression curve of the spinel is discontinuous at approximately 20 GPa. Fe Kβ x-ray emission measurements at high pressure show that the transition from a high spin (HS) to an intermediate spin (IS) state begins at 17 GPa in the spinel phase. The IS electronic state is gradually enhanced with pressure, which results in an isostructural phase transition. A transition from the cubic spinel structure to a body centered orthorhombic phase (I-Fe 2SiO 4) with space group Imma and Z=4 was observed at approximately 34 GPa. The structure of I-Fe 2SiO 4 has two crystallographically distinct FeO 6 octahedra, which are arranged in layers parallel to (101) and (011) and are very similar to the layers of FeO 6 octahedra that constitute the spinel structure. Silicon also exists in six-fold coordination in I-Fe 2SiO 4. The transformation to the new high-pressure phase is reversible under decompression at ambient temperature. A Martensitic transformation of each slab of the spinel structure with translation vector [more » $$\\vec{1/8}$$ $$\\vec{1/8}$$ $$\\vec{1/8}$$] generates the I-Fe 2SiO 4 structure. Laser heating of I-Fe 2SiO 4 at 1500 K results in a decomposition of the material to rhombohedral FeO and SiO 2 stishovite.« less

Work function characterization of solution-processed cobalt silicide

DOE PAGES

Ullah, Syed Shihab; Robinson, Matt; Hoey, Justin; ...

2012-05-08

Cobalt silicide thin films were prepared by spin-coating Si6H12-based inks onto various substrates followed by a thermal treatment. The work function of the solution processed Co-Si was determined by both capacitance-voltage (C-V) measurements of metal-oxide-semiconductor (MOS) structures as well as by ultraviolet photoelectron spectroscopy (UPS). The UPS-derived work function was 4.80 eV for a Co-Si film on Si (100) while C-V of MOS structures yielded a work function of 4.36 eV where the metal was solution-processed Co-Si, the oxide was SiO2 and the semiconductor was a B-doped Si wafer.

Annealing temperature and barrier thickness effect on the structural and optical properties of silicon nanocrystals/SiO₂ superlattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

López-Vidrier, J., E-mail: jlopezv@el.ub.edu; Hernández, S.; López-Conesa, L.

2014-10-07

The effect of the annealing temperature and the SiO₂ barrier thickness of silicon nanocrystal (NC)/SiO₂ superlattices (SLs) on their structural and optical properties is investigated. Energy-filtered transmission electron microscopy (TEM) revealed that the SL structure is maintained for annealing temperatures up to 1150 °C, with no variation on the nanostructure morphology for different SiO₂ barrier thicknesses. Nevertheless, annealing temperatures as high as 1250 °C promote diffusion of Si atoms into the SiO₂ barrier layers, which produces larger Si NCs and the loss of the NC size control expected from the SL approach. Complementary Raman scattering measurements corroborated these results formore » all the SiO₂ and Si-rich oxynitride layer thicknesses. In addition, we observed an increasing crystalline fraction up to 1250 °C, which is related to a decreasing contribution of the suboxide transition layer between Si NCs and the SiO₂ matrix due to the formation of larger NCs. Finally, photoluminescence measurements revealed that the emission of the superlattices exhibits a Gaussian-like lineshape with a maximum intensity after annealing at 1150 °C, indicating a high crystalline degree in good agreement with Raman results. Samples submitted to higher annealing temperatures display a progressive emission broadening, together with an increase in the central emission wavelength. Both effects are related to a progressive broadening of the size distribution with a larger mean size, in agreement with TEM observations. On the other hand, whereas the morphology of the Si NCs is unaffected by the SiO₂ barrier thickness, the emission properties are slightly modified. These observed modifications in the emission lineshape allow monitoring the precipitation process of Si NCs in a direct non-destructive way. All these experimental results evidence that an annealing temperature of 1150 °C and 1-nm SiO₂ barrier can be reached whilst preserving the SL structure, being thus the optimal structural SL parameters for their use in optoelectronics.« less

Oxide Structure Dependence of SiO2/SiOx/3C-SiC/n-Type Si Nonvolatile Resistive Memory on Memory Operation Characteristics

NASA Astrophysics Data System (ADS)

Yamaguchi, Yuichiro; Shouji, Masatsugu; Suda, Yoshiyuki

2012-11-01

We have investigated the dependence of the oxide layer structure of our previously proposed metal/SiO2/SiOx/3C-SiC/n-Si/metal metal-insulator-semiconductor (MIS) resistive memory device on the memory operation characteristics. The current-voltage (I-V) measurement and X-ray photoemission spectroscopy results suggest that SiOx defect states mainly caused by the oxidation of 3C-SiC at temperatures below 1000 °C are related to the hysteresis memory behavior in the I-V curve. By restricting the SiOx interface region, the number of switching cycles and the on/off current ratio are more enhanced. Compared with a memory device formed by one-step or two-step oxidation of 3C-SiC, a memory device formed by one-step oxidation of Si/3C-SiC exhibits a more restrictive SiOx interface with a more definitive SiO2 layer and higher memory performances for both the endurance switching cycle and on/off current ratio.

Accurate Identification of Unknown and Known Metabolic Mixture Components by Combining 3D NMR with Fourier Transform Ion Cyclotron Resonance Tandem Mass Spectrometry.

PubMed

Wang, Cheng; He, Lidong; Li, Da-Wei; Bruschweiler-Li, Lei; Marshall, Alan G; Brüschweiler, Rafael

2017-10-06

Metabolite identification in metabolomics samples is a key step that critically impacts downstream analysis. We recently introduced the SUMMIT NMR/mass spectrometry (MS) hybrid approach for the identification of the molecular structure of unknown metabolites based on the combination of NMR, MS, and combinatorial cheminformatics. Here, we demonstrate the feasibility of the approach for an untargeted analysis of both a model mixture and E. coli cell lysate based on 2D/3D NMR experiments in combination with Fourier transform ion cyclotron resonance MS and MS/MS data. For 19 of the 25 model metabolites, SUMMIT yielded complete structures that matched those in the mixture independent of database information. Of those, seven top-ranked structures matched those in the mixture, and four of those were further validated by positive ion MS/MS. For five metabolites, not part of the 19 metabolites, correct molecular structural motifs could be identified. For E. coli, SUMMIT MS/NMR identified 20 previously known metabolites with three or more 1 H spins independent of database information. Moreover, for 15 unknown metabolites, molecular structural fragments were determined consistent with their spin systems and chemical shifts. By providing structural information for entire metabolites or molecular fragments, SUMMIT MS/NMR greatly assists the targeted or untargeted analysis of complex mixtures of unknown compounds.

Kinetics and fracture resistance of lithiated silicon nanostructure pairs controlled by their mechanical interaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Seok Woo; /Stanford U., Geballe Lab.; Lee, Hyun-Wook

2015-06-01

Following an explosion of studies of silicon as a negative electrode for Li-ion batteries, the anomalous volumetric changes and fracture of lithiated single Si particles have attracted significant attention in various fields, including mechanics. However, in real batteries, lithiation occurs simultaneously in clusters of Si in a confined medium. Hence, understanding how the individual Si structures interact during lithiation in a closed space is necessary. Herein, we demonstrate physical/mechanical interactions of swelling Si structures during lithiation using well-defined Si nanopillar pairs. Ex situ SEM and in situ TEM studies reveal that compressive stresses change the reaction kinetics so that preferentialmore » lithiation occurs at free surfaces when the pillars are mechanically clamped. Such mechanical interactions enhance the fracture resistance of This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under Contract No. DE-AC02-76SF00515. SLAC-PUB-16300 2 lithiated Si by lessening the tensile stress concentrations in Si structures. This study will contribute to improved design of Si structures at the electrode level for high performance Li-ion batteries.« less

Hybrid silicon honeycomb/organic solar cells with enhanced efficiency using surface etching.

PubMed

Liu, Ruiyuan; Sun, Teng; Liu, Jiawei; Wu, Shan; Sun, Baoquan

2016-06-24

Silicon (Si) nanostructure-based photovoltaic devices are attractive for their excellent optical and electrical performance, but show lower efficiency than their planar counterparts due to the increased surface recombination associated with the high surface area and roughness. Here, we demonstrate an efficiency enhancement for hybrid nanostructured Si/polymer solar cells based on a novel Si honeycomb (SiHC) structure using a simple etching method. SiHC structures are fabricated using a combination of nanosphere lithography and plasma treatment followed by a wet chemical post-etching. SiHC has shown superior light-trapping ability in comparison with the other Si nanostructures, along with a robust structure. Anisotropic tetramethylammonium hydroxide etching not only tunes the final surface morphologies of the nanostructures, but also reduces the surface roughness leading to a lower recombination rate in the hybrid solar cells. The suppressed recombination loss, benefiting from the reduced surface-to-volume ratio and roughness, has resulted in a high open-circuit voltage of 600 mV, a short-circuit current of 31.46 mA cm(-2) due to the light-trapping ability of the SiHCs, and yields a power conversion efficiency of 12.79% without any other device structure optimization.

A comparison of the human and mouse protein corona profiles of functionalized SiO2 nanocarriers.

PubMed

Solorio-Rodríguez, A; Escamilla-Rivera, V; Uribe-Ramírez, M; Chagolla, A; Winkler, R; García-Cuellar, C M; De Vizcaya-Ruiz, A

2017-09-21

Nanoparticles are a promising cancer therapy for their use as drug carriers given their versatile functionalization with polyethylene glycol and proteins that can be recognized by overexpressed receptors in tumor cells. However, it has been suggested that in biological fluids, proteins cover nanoparticles, which gives the proteins a biological identity that could be responsible for unexpected biological responses: the so-called protein corona. A relevant biological event that is usually ignored in protein-corona formation is the interspecies differences in protein binding, which can be involved in the discrepancies observed in preclinical studies and the nanoparticle safety and efficiency. Hence, the aim of this study was to determine the differences between human and mouse plasma protein corona profiles in an active therapy model using silicon dioxide nanoparticles (SiO 2 nanoparticles) functionalized with polyethylene glycol and transferrin. Functionalized SiO 2 nanoparticles were made with a primary particle size of 25 nm and a transferrin content of 50 μg mg -1 of nanoparticles and were PEGylated with a cross-linker. The proteomic analysis by nanoliquid chromatography tandem-mass spectrometry (nanoLC-MS/MS) showed interspecies differences. The most abundant proteins found in the human protein corona profile were immunoglobulins, actin cytoplasmic 1, hemoglobin subunit beta, serotransferrin, ficolin-3, complement C3, and apolipoprotein A-1. Meanwhile, the mouse protein corona adsorbed the serine protease inhibitor A3K, serotransferrin, alpha-1-antitrypsin 1-2, hemoglobin subunit beta, and fibrinogen gamma and beta chains. These protein-corona profile differences in the functionalized SiO 2 nanoparticles indicate that biological responses observed in in vivo models could not be translated to clinical use and must be considered in the interpretation of preclinical trials in order to design more efficient and safer nanomedicines.

The distressed (Type D) personality factor of social inhibition, but not negative affectivity, enhances eyeblink conditioning.

PubMed

Allen, M T; Handy, J D; Blankenship, M R; Servatius, R J

2018-06-01

Recent work has focused on a learning diathesis model in which specific personality factors such as behavioral inhibition (BI) may influence associative learning and in turn increase risk for the development of anxiety disorders. We have found in a series of studies that individuals self-reporting high levels of BI exhibit enhanced acquisition of conditioned eyeblinks. In the study reported here, hypotheses were extended to include distressed (Type D) personality which has been found to be related to BI. Type D personality is measured with the DS-14 scale which includes two subscales measuring negative affectivity (NA) and social inhibition (SI). We hypothesized that SI, which is similar to BI, would result in enhanced acquisition while the effect of NA is unclear. Eighty nine participants completed personality inventories including the Adult Measure of Behavioral Inhibition (AMBI) and DS-14. All participants received 60 acquisition trials with a 500 ms, 1000 Hz, tone CS and a co-terminating 50 ms, 5 psi corneal airpuff US. Participants received either 100% CS-US paired trials or a schedule of partial reinforcement where 50% US alone trials were intermixed into CS-US training. Acquisition of CRs did not differ between the two training protocols. Whereas BI was significantly related to Type D, SI, and NA, only BI and SI individuals exhibited enhanced acquisition of conditioned eyeblinks as compared to non-inhibited individuals. Personality factors now including social inhibition can be used to identify individuals who express enhanced associative learning which lends further support to a learning diathesis model of anxiety disorders. Copyright © 2018 Elsevier B.V. All rights reserved.

EFFECTS OF TiOx INTERLAYER ON RESISTANCE SWITCHING OF Pt/TiOx/ZnO/n+-Si STRUCTURES

NASA Astrophysics Data System (ADS)

Li, Hongxia; Lv, Xiaojun; Xi, Junhua; Wu, Xin; Mao, Qinan; Liu, Qingmin; Ji, Zhenguo

2014-08-01

In this paper, we fabricated Pt/TiOx/ZnO/n+-Si structures by inserting TiOx interlayer between Pt top electrode (TE) and ZnO thin film for non-volatile resistive random access memory (ReRAM) applications. Effects of TiOx interlayer with different thickness on the resistance switching of Pt/TiOx/ZnO/n+-Si structures were investigated. Conduction behaviors in high and low resistance state (HRS and LRS) fit well with the trap-controlled space-charge-limited conduction (SCLC) and Ohmic behavior, respectively. Variations of set and reset voltages and HRS and LRS resistances of Pt/TiOx/ZnO/n+-Si structures were investigated as a function of TiOx thickness. Switching cycling tests were attempted to evaluate the endurance reliability of Pt/TiOx/ZnO/n+-Si structures. Additionally, the switching mechanism was analyzed by the filament model.

A combined interfacial and in-situ polymerization strategy to construct well-defined core-shell epoxy-containing SiO2-based microcapsules with high encapsulation loading, super thermal stability and nonpolar solvent tolerance

NASA Astrophysics Data System (ADS)

Jia; Wang; Tian; Li; Xu; Jiao; Cao; Wu

2016-10-01

SiO2-based microcapsules containing hydrophobic molecules exhibited potential applications such as extrinsic self-healing, drug delivery, due to outstanding thermal and chemical stability of SiO2. However, to construct SiO2-based microcapsules with both high encapsulation loading and long-term structural stability is still a troublesome issue, limiting their further utilization. We herein design a single-batch route, a combined interfacial and in-situ polymerization strategy, to fabricate epoxy-containing SiO2-based microcapsules with both high encapsulation loading and long-term structural stability. The final SiO2-based microcapsules preserve high encapsulation loading of 85.7 wt% by controlling exclusively hydrolysis and condensed polymerization at oil/water interface in the initial interfacial polymerization step. In the subsequent in-situ polymerization step, the initial SiO2-based microcapsules as seeds could efficiently harvest SiO2 precursors and primary SiO2 particles to finely tune the SiO2 wall thickness, thereby enhancing long-term structural stability of the final SiO2-based microcapsules including high thermal stability with almost no any weight loss until 250°C, and strong tolerance against nonpolar solvents such as CCl4 with almost unchanged core-shell structure and unchanged core weight after immersing into strong solvents for up to 5 days. These SiO2-based microcapsules are extremely suited for processing them into anticorrosive coating in the presence of nonpolar solvents for self-healing application.

An XPS study on the chemical bond structure at the interface between SiO{sub x}N{sub y} and N doped polyethylene terephthalate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ding Wanyu; Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Ministry of Education, Dalian University of Technology, Dalian 116024; Li Li

2013-03-14

The super-thin silicon oxynitride (SiO{sub x}N{sub y}) films were deposited onto the N doped polyethylene terephthalate (PET) surface. Varying the N doping parameters, the different chemical bond structures were obtained at the interface between the SiO{sub x}N{sub y} film and the PET surface. X-ray photoelectron spectra results showed that at the initial stage of SiO{sub x}N{sub y} film growth, the C=N bonds could be broken and C-N-Si crosslink bonds could be formed at the interface of SiO{sub x}N{sub y}/PET, which C=N bonds could be formed onto the PET surface during the N doping process. At these positions, the SiO{sub x}N{submore » y} film could be crosslinked well onto the PET surface. Meanwhile, the doped N could crosslink the [SiO{sub 4}] and [SiN{sub 4}] tetrahedrons, which could easily form the dense layer structure at the initial stage of SiO{sub x}N{sub y} film growth, instead of the ring and/or chain structures of [SiO{sub 4}] tetrahedrons crosslinked by O. Finally, from the point of applying SiO{sub x}N{sub y}/PET complex as the substrate, the present work reveals a simple way to crosslink them, as well as the crosslink model and physicochemical mechanism happened at the interface of complex.« less

Atomic-scale analysis of deposition and characterization of a-Si:H thin films grown from SiH radical precursor

NASA Astrophysics Data System (ADS)

Sriraman, Saravanapriyan; Aydil, Eray S.; Maroudas, Dimitrios

2002-07-01

Growth of hydrogenated amorphous silicon films (a-Si:H) on an initial H-terminated Si(001)(2 x1) substrate at T=500 K was studied through molecular-dynamics (MD) simulations of repeated impingement of SiH radicals to elucidate the effects of reactive minority species on the structural quality of the deposited films. The important reactions contributing to film growth were identified through detailed visualization of radical-surface interaction trajectories. These reactions include (i) insertion of SiH into Si-Si bonds, (ii) adsorption onto surface dangling bonds, (iii) surface H abstraction by impinging SiH radicals through an Eley-Rideal mechanism, (iv) surface adsorption by penetration into subsurface layers or dissociation leading to interstitial atomic hydrogen, (v) desorption of interstitial hydrogen into the gas phase, (vi) formation of higher surface hydrides through the exchange of hydrogen, and (vii) dangling-bond-mediated dissociation of surface hydrides into monohydrides. The MD simulations of a-Si:H film growth predict an overall surface reaction probability of 95% for the SiH radical that is in good agreement with experimental measurements. Structural and chemical characterization of the deposited films was based on the detailed analysis of evolution of the films' structure, surface morphology and roughness, surface reactivity, and surface composition. The analysis revealed that the deposited films exhibit high dangling bond densities and rough surface morphologies. In addition, the films are abundant in voids and columnar structures that are detrimental to producing device-quality a-Si:H thin films.

Design guideline for Si/organic hybrid solar cell with interdigitated back contact structure

NASA Astrophysics Data System (ADS)

Bimo Prakoso, Ari; Rusli; Li, Zeyu; Lu, Chenjin; Jiang, Changyun

2018-03-01

We study the design of Si/organic hybrid (SOH) solar cells with interdigitated back contact (IBC) structure. SOH solar cells formed between n-Si and poly(3,4-ethylenedioxythiophene): polystyrenesulphonate (PEDOT:PSS) is a promising concept that combines the excellent electronic properties of Si with the solution-based processing advantage of an organic polymer. The IBC cell structure is employed to minimize parasitic absorption losses in the organic polymer, eliminate grid shadowing losses, and allow excellent passivation of the front Si surface in one step over a large area. The influence of Si thickness, doping concentration and contact geometry are simulated in this study to optimize the performance of the SOH-IBC solar cell. We found that a high power conversion efficiency of >20% can be achieved for optimized SOH-IBC cell based on a thin c-Si substrate of 40 μm thickness.

Characterization of remote O2-plasma-enhanced CVD SiO2/GaN(0001) structure using photoemission measurements

NASA Astrophysics Data System (ADS)

Truyen, Nguyen Xuan; Ohta, Akio; Makihara, Katsunori; Ikeda, Mitsuhisa; Miyazaki, Seiichi

2018-01-01

The control of chemical composition and bonding features at a SiO2/GaN interface is a key to realizing high-performance GaN power devices. In this study, an ∼5.2-nm-thick SiO2 film has been deposited on an epitaxial GaN(0001) surface by remote O2-plasma-enhanced chemical vapor deposition (O2-RPCVD) using SiH4 and Ar/O2 mixture gases at a substrate temperature of 500 °C. The depth profile of chemical structures and electronic defects of the O2-RPCVD SiO2/GaN structures has been evaluated from a combination of SiO2 thinning examined by X-ray photoelectron spectroscopy (XPS) and the total photoelectron yield spectroscopy (PYS) measurements. As a highlight, we found that O2-RPCVD is effective for fabricating an abrupt SiO2/GaN interface.

Synthesis and Crystal Structure of a New Ruthenium Silicophosphate: RuP 3SiO 11

NASA Astrophysics Data System (ADS)

Fukuoka, Hiroshi; Imoto, Hideo; Saito, Taro

1996-01-01

A new ruthenium silicophosphate RuP3SiO11was obtained and the structure was determined by single-crystal X-ray diffraction. It crystallizes in the trigonal space groupR3cwitha= 8.253(3)Å,c= 39.317(4)Å,V= 2319(2)Å3,Z= 12,R= 0.029, andRW= 0.026. The structure is composed of RuO6, Si2O7, and P2O7units. The Si2O7unit shares the six oxygen atoms with six P2O7units, while the P2O7unit shares the six oxygen atoms with two Si2O7units and four RuO6octahedra. The anionic part forms an infinite three-dimensional network of silicophosphate. RuP3SiO11is isotypic with MoP3SiO11.

Dopant activation mechanism of Bi wire-δ-doping into Si crystal, investigated with wavelength dispersive fluorescence x-ray absorption fine structure and density functional theory.

PubMed

Murata, Koichi; Kirkham, Christopher; Shimomura, Masaru; Nitta, Kiyofumi; Uruga, Tomoya; Terada, Yasuko; Nittoh, Koh-Ichi; Bowler, David R; Miki, Kazushi

2017-04-20

We successfully characterized the local structures of Bi atoms in a wire-δ-doped layer (1/8 ML) in a Si crystal, using wavelength dispersive fluorescence x-ray absorption fine structure at the beamline BL37XU, in SPring-8, with the help of density functional theory calculations. It was found that the burial of Bi nanolines on the Si(0 0 1) surface, via growth of Si capping layer at 400 °C by molecular beam epitaxy, reduced the Bi-Si bond length from [Formula: see text] to [Formula: see text] Å. We infer that following epitaxial growth the Bi-Bi dimers of the nanoline are broken, and the Bi atoms are located at substitutional sites within the Si crystal, leading to the shorter Bi-Si bond lengths.

Si3 AlP: A New Promising Material for Solar Cell Absorber

NASA Astrophysics Data System (ADS)

Yang, Jihui; Zhai, Yingteng; Liu, Hengrui; Xiang, Hongjun; Gong, Xingao; Wei, Suhuai

2014-03-01

First-principles calculations are performed to study the structural and optoelectronic properties of the newly synthesized nonisovalent and lattice-matched (Si2)0.6(AlP)0.4 alloy [T. Watkins et al., J. Am. Chem. Soc. 2011, 133, 16212.] The most stable structure of Si3AlP is a superlattice along the <111>direction with separated AlP and Si layers, which has a similar optical absorption spectrum to silicon. The ordered C1c1-Si3AlP is found to be the most stable one among all the structures with -AlPSi3- motifs, in agreement with the experimental suggestions. We predict that C1c1-Si3AlP has good optical properties, i.e., it has a larger fundamental band gap and a smaller direct band gap than Si, thus it has much higher absorption in the visible light region, making it a promising candidate for improving the performance of the existing Si-based solar cells.

Stabilization of Si_60 Cage Structure: The Agony and the Ecstasy

NASA Astrophysics Data System (ADS)

Kawazoe, Y.; Sun, Q.; Wang, Q.; Rao, B. K.; Jena, P.

2003-03-01

The unique role of silicon in the micro-electronics industry has motivated many researchers to find ways to stabilize Si_60 with fullerene structure. In spite of numerous experimental attempts, synthesis of a theoretically predicted C_60-supported Si_60 cluster (C_60@Si_60) has not been possible. Using a state-of-the-art theoretical method, we provide the first answer for this long-standing contradiction between the experimental observation and the theoretical prediction. The flaws in earlier theoretical works are pointed out, and Si_60 is shown to be unstable in the fullerene structure either on its own or when supported on a C_60 fullerene (C_60@Si_60). On the other hand, we show that Si_60 cage can be stabilized by using magic clusters such as Al_12X (X = Si, Ge, Sn, Pb) as endohedral units, which have been identified in recent experiment as stable clusters and as suitable building blocks for cluster-assembled materials.

Periodically structured Si pillars for high-performing heterojunction photodetectors

NASA Astrophysics Data System (ADS)

Melvin David Kumar, M.; Yun, Ju-Hyung; Kim, Joondong

2015-03-01

A periodical array of silicon (Si) micro pillar structures was fabricated on Si substrates using PR etching process. Indium tin oxide (ITO) layer of 80 nm thickness was deposited over patterned Si substrates so as to make ITO/n-Si heterojunction devices. The influences of width and period of pillars on the optical and electrical properties of prepared devices were investigated. The surface morphology of the Si substrates revealed the uniform array of pillar structures. The 5/10 (width/period) Si pillar pattern reduced the optical reflectance to 6.5% from 17% which is of 5/7 pillar pattern. The current rectifying ratio was found higher for the device in which the pillars are situated in optimum periods. At both visible (600 nm) and near infrared (900 nm) range of wavelengths, the 5/7 and 5/10 pillar patterned device exhibited the better photoresponses which are suitable for making advanced photodetectors. This highly transmittance and photoresponsive pillar patterned Si substrates with an ITO layer would be a promising device for various photoelectric applications.

Valence electronic structure of Ni in Ni Si alloys from relative K X-ray intensity studies

NASA Astrophysics Data System (ADS)

Kalayci, Y.; Aydinuraz, A.; Tugluoglu, B.; Mutlu, R. H.

2007-02-01

The Kβ-to-Kα X-ray intensity ratio of Ni in Ni 3Si, Ni 2Si and NiSi has been determined by energy dispersive X-ray fluorescence technique. It is found that the intensity ratio of Ni decreases from pure Ni to Ni 2Si and then increases from Ni 2Si to NiSi, in good agreement with the electronic structure calculations cited in the literature. We have also performed band structure calculations for pure Ni in various atomic configurations by means of linear muffin-tin orbital method and used this data with the normalized theoretical intensity ratios cited in the literature to estimate the 3d-occupation numbers of Ni in Ni-Si alloys. It is emphasized that investigation of alloying effect in terms of X-ray intensity ratios should be carried out for the stoichiometric alloys in order to make reliable and quantitative comparisons between theory and experiment in transition metal alloys.

Low temperature surface passivation of crystalline silicon and its application to interdigitated back contact silicon heterojunction (ibc-shj) solar cell

NASA Astrophysics Data System (ADS)

Shu, Zhan

With the absence of shading loss together with improved quality of surface passivation introduced by low temperature processed amorphous silicon crystalline silicon (a-Si:H/c-Si) heterojunction, the interdigitated back contact silicon heterojunction (IBC-SHJ) solar cell exhibits a potential for higher conversion efficiency and lower cost than a traditional front contact diffused junction solar cell. In such solar cells, the front surface passivation is of great importance to achieve both high open-circuit voltage (Voc) and short-circuit current (Jsc). Therefore, the motivation of this work is to develop a low temperature processed structure for the front surface passivation of IBC-SHJ solar cells, which must have an excellent and stable passivation quality as well as a good anti-reflection property. Four different thin film materials/structures were studied and evaluated for this purpose, namely: amorphous silicon nitride (a-SiNx:H), thick amorphous silicon film (a-Si:H), amorphous silicon/silicon nitride/silicon carbide (a-Si:H/a-SiN x:H/a-SiC:H) stack structure with an ultra-thin a-Si:H layer, and zinc sulfide (ZnS). It was demonstrated that the a-Si:H/a-SiNx:H/a-SiC:H stack surpasses other candidates due to both of its excellent surface passivation quality (SRV<5 cm/s) and lower absorption losses. The low recombination rate at the stack structure passivated c-Si surface is found to be resulted from (i) field effect passivation due to the positive fixed charge (Q fix~1x1011 cm-2 with 5 nm a-Si:H layer) in a-SiNx:H as measured from capacitance-voltage technique, and (ii) reduced defect state density (mid-gap Dit~4x1010 cm-2eV-1) at a-Si:H/c-Si interface provided by a 5 nm thick a-Si:H layer, as characterized by conductance-frequency measurements. Paralleled with the experimental studies, a computer program was developed in this work based on the extended Shockley-Read-Hall (SRH) model of surface recombination. With the help of this program, the experimental injection level dependent SRV curves of the stack passivated c-Si samples were successfully reproduced and the carrier capture cross sections of interface defect states were extracted. Additionally, anti-reflection properties of the stack structure were optimized and optical losses were analyzed. The Voc over 700 mV and Jsc over 38 mA/cm2 were achieved in IBC-SHJ solar cells using the stack structure for front surface passivation. Direct comparison shows that such low temperature deposited stack structure developed in this work achieves comparable device performance to the high temperature processed front surface passivation structure used in other high efficiency IBC solar cells. However, the lower fill factor (FF) of IBC-SHJ solar cell as compared with traditional front a-Si:H/c-Si heterojunction cell (HIT cell) greatly limits the overall performance of these devices. Two-dimensional (2D) simulations were used to comparatively model the HIT and IBC-SHJ solar cells to understand the underlying device physics which controls cell performance. The effects of a wide range of device parameters were investigated in the simulation, and pathways to improve the FF of IBC-SHJ solar cell were suggested.

First-principles calculations of orientation dependence of Si thermal oxidation based on Si emission model

NASA Astrophysics Data System (ADS)

Nagura, Takuya; Kawachi, Shingo; Chokawa, Kenta; Shirakawa, Hiroki; Araidai, Masaaki; Kageshima, Hiroyuki; Endoh, Tetsuo; Shiraishi, Kenji

2018-04-01

It is expected that the off-state leakage current of MOSFETs can be reduced by employing vertical body channel MOSFETs (V-MOSFETs). However, in fabricating these devices, the structure of the Si pillars sometimes cannot be maintained during oxidation, since Si atoms sometimes disappear from the Si/oxide interface (Si missing). Thus, in this study, we used first-principles calculations based on the density functional theory, and investigated the Si emission behavior at the various interfaces on the basis of the Si emission model including its atomistic structure and dependence on Si crystal orientation. The results show that the order in which Si atoms are more likely to be emitted during thermal oxidation is (111) > (110) > (310) > (100). Moreover, the emission of Si atoms is enhanced as the compressive strain increases. Therefore, the emission of Si atoms occurs more easily in V-MOSFETs than in planar MOSFETs. To reduce Si missing in V-MOSFETs, oxidation processes that induce less strain, such as wet or pyrogenic oxidation, are necessary.

Spatial structure and electronic spectrum of TiSi{/n -} clusters ( n = 6-18)

NASA Astrophysics Data System (ADS)

Borshch, N. A.; Pereslavtseva, N. S.; Kurganskii, S. I.

2014-10-01

Results from optimizing the spatial structure and calculated electronic spectra of anion clusters TiSi{/n -} ( n = 6-18) are presented. Calculations are performed within the density functional theory. Spatial structures of clusters detected experimentally are established by comparing the calculated and experimental data. It is shown that prismatic and fullerene-like structures are the ones most energetically favorable for clusters TiSi{/n -}. It is concluded that these structures are basic when building clusters with close numbers of silicon atoms.

Structure of the EndoMS-DNA Complex as Mismatch Restriction Endonuclease.

PubMed

Nakae, Setsu; Hijikata, Atsushi; Tsuji, Toshiyuki; Yonezawa, Kouki; Kouyama, Ken-Ichi; Mayanagi, Kouta; Ishino, Sonoko; Ishino, Yoshizumi; Shirai, Tsuyoshi

2016-11-01

Archaeal NucS nuclease was thought to degrade the single-stranded region of branched DNA, which contains flapped and splayed DNA. However, recent findings indicated that EndoMS, the orthologous enzyme of NucS, specifically cleaves double-stranded DNA (dsDNA) containing mismatched bases. In this study, we determined the structure of the EndoMS-DNA complex. The complex structure of the EndoMS dimer with dsDNA unexpectedly revealed that the mismatched bases were flipped out into binding sites, and the overall architecture most resembled that of restriction enzymes. The structure of the apo form was similar to the reported structure of Pyrococcus abyssi NucS, indicating that movement of the C-terminal domain from the resting state was required for activity. In addition, a model of the EndoMS-PCNA-DNA complex was preliminarily verified with electron microscopy. The structures strongly support the idea that EndoMS acts in a mismatch repair pathway. Copyright © 2016 Elsevier Ltd. All rights reserved.

Anneal-induced enhancement of refractive index and hardness of silicophosphate glasses containing six-fold coordinated silicon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zeng, Huidan, E-mail: hdzeng@ecust.edu.cn; Jiang, Qi; Li, Xiang

2015-01-12

A considerable number of optical devices have significantly benefited from the development of phosphate glasses as substrate materials. Introducing silica into sodium phosphate is an effective method to enhance its mechanical and optical properties. Through annealing treatment, the tetrahedral silicon oxide network structure (Si{sup (4)}) can be transformed into an octahedral structure (Si{sup (6)}) with more constraints. Here, we use high-temperature Raman and Nuclear Magnetic Resonance to reveal the mechanism of transformation between the Si{sup (4)} and Si{sup (6)} silicon oxide structures. The increase of the Si{sup (6)} content results in the phosphate glasses having higher refractive index and hardness.more » Based on this, the refractive index contribution of SiO{sub 6} is obtained.« less

The diverse and expanding role of mass spectrometry in structural and molecular biology.

PubMed

Lössl, Philip; van de Waterbeemd, Michiel; Heck, Albert Jr

2016-12-15

The emergence of proteomics has led to major technological advances in mass spectrometry (MS). These advancements not only benefitted MS-based high-throughput proteomics but also increased the impact of mass spectrometry on the field of structural and molecular biology. Here, we review how state-of-the-art MS methods, including native MS, top-down protein sequencing, cross-linking-MS, and hydrogen-deuterium exchange-MS, nowadays enable the characterization of biomolecular structures, functions, and interactions. In particular, we focus on the role of mass spectrometry in integrated structural and molecular biology investigations of biological macromolecular complexes and cellular machineries, highlighting work on CRISPR-Cas systems and eukaryotic transcription complexes. © 2016 The Authors. Published under the terms of the CC BY NC ND 4.0 license.

CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES: A super junction SiGe low-loss fast switching power diode

NASA Astrophysics Data System (ADS)

Ma, Li; Gao, Yong

2009-01-01

This paper proposes a novel super junction (SJ) SiGe switching power diode which has a columnar structure of alternating p- and n- doped pillar substituting conventional n- base region and has far thinner strained SiGe p+ layer to overcome the drawbacks of existing Si switching power diode. The SJ SiGe diode can achieve low specific on-resistance, high breakdown voltages and fast switching speed. The results indicate that the forward voltage drop of SJ SiGe diode is much lower than that of conventional Si power diode when the operating current densities do not exceed 1000 A/cm2, which is very good for getting lower operating loss. The forward voltage drop of the Si diode is 0.66 V whereas that of the SJ SiGe diode is only 0.52 V at operating current density of 10 A/cm2. The breakdown voltages are 203 V for the former and 235 V for the latter. Compared with the conventional Si power diode, the reverse recovery time of SJ SiGe diode with 20 per cent Ge content is shortened by above a half and the peak reverse current is reduced by over 15%. The SJ SiGe diode can remarkably improve the characteristics of power diode by combining the merits of both SJ structure and SiGe material.

Crystal structure and equation of state of Fe-Si alloys at super-Earth core conditions

DOE PAGES

Wicks, June K.; Smith, Raymond F.; Fratanduono, Dayne E.; ...

2018-04-25

In this paper, the high-pressure behavior of Fe alloys governs the interior structure and dynamics of super-Earths, rocky extrasolar planets that could be as much as ten times more massive than Earth. In experiments reaching up to 1300 GPa, we combine laser-driven dynamic ramp compression with in situ X-ray diffraction to study the effect of composition on the crystal structure and density of Fe-Si alloys, a potential constituent of super-Earth cores. We find that Fe-7wt.%Si adopts the hexagonal close packed (hcp) structure over the measured pressure range, whereas Fe-15wt.%Si is observed in a body-centered cubic (bcc) structure. This study representsmore » the first experimental determination of the density and crystal structure of Fe-Si alloys at pressures corresponding to the center of a ~3 Earth-mass terrestrial planet. Our results allow for direct determination of the effects of light elements on core radius, density, and pressures for such planets.« less

Crystal structure and equation of state of Fe-Si alloys at super-Earth core conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wicks, June K.; Smith, Raymond F.; Fratanduono, Dayne E.

In this paper, the high-pressure behavior of Fe alloys governs the interior structure and dynamics of super-Earths, rocky extrasolar planets that could be as much as ten times more massive than Earth. In experiments reaching up to 1300 GPa, we combine laser-driven dynamic ramp compression with in situ X-ray diffraction to study the effect of composition on the crystal structure and density of Fe-Si alloys, a potential constituent of super-Earth cores. We find that Fe-7wt.%Si adopts the hexagonal close packed (hcp) structure over the measured pressure range, whereas Fe-15wt.%Si is observed in a body-centered cubic (bcc) structure. This study representsmore » the first experimental determination of the density and crystal structure of Fe-Si alloys at pressures corresponding to the center of a ~3 Earth-mass terrestrial planet. Our results allow for direct determination of the effects of light elements on core radius, density, and pressures for such planets.« less

A novel approach for the synthesis of ultrathin silica-coated iron oxide nanocubes decorated with silver nanodots (Fe3O4/SiO2/Ag) and their superior catalytic reduction of 4-nitroaniline

NASA Astrophysics Data System (ADS)

Abbas, Mohamed; Torati, Sri Ramulu; Kim, Cheolgi

2015-07-01

A novel sonochemical approach was developed for the synthesis of different core/shell structures of Fe3O4/SiO2/Ag nanocubes and SiO2/Ag nanospheres. The total reaction time of the three sonochemical steps for the synthesis of Fe3O4/SiO2/Ag nanocubes is shorter than that of the previously reported methods. A proposed reaction mechanism for the sonochemical functionalization of the silica and the silver on the surface of magnetic nanocubes was discussed in detail. Transmission electron microscopy revealed that the surface of Fe3O4/SiO2 nanocubes was decorated with small Ag nanoparticles of approximately 10-20 nm in size, and the energy dispersive spectroscopy mapping analysis confirmed the morphology of the structure. Additionally, X-ray diffraction data were used to confirm the formation of both phases of a cubic inverse spinel structure for Fe3O4 and bcc structures for Ag in the core/shell structure of the Fe3O4/SiO2/Ag nanocubes. The as-synthesized Fe3O4/SiO2/Ag nanocubes showed a high efficiency in the catalytic reduction reaction of 4-nitroaniline to 4-phenylenediamine and a better performance than both Ag and SiO2/Ag nanoparticles. The grafted silver catalyst was recycled and reused at least fifteen times without a significant loss of catalytic efficiency.A novel sonochemical approach was developed for the synthesis of different core/shell structures of Fe3O4/SiO2/Ag nanocubes and SiO2/Ag nanospheres. The total reaction time of the three sonochemical steps for the synthesis of Fe3O4/SiO2/Ag nanocubes is shorter than that of the previously reported methods. A proposed reaction mechanism for the sonochemical functionalization of the silica and the silver on the surface of magnetic nanocubes was discussed in detail. Transmission electron microscopy revealed that the surface of Fe3O4/SiO2 nanocubes was decorated with small Ag nanoparticles of approximately 10-20 nm in size, and the energy dispersive spectroscopy mapping analysis confirmed the morphology of the structure. Additionally, X-ray diffraction data were used to confirm the formation of both phases of a cubic inverse spinel structure for Fe3O4 and bcc structures for Ag in the core/shell structure of the Fe3O4/SiO2/Ag nanocubes. The as-synthesized Fe3O4/SiO2/Ag nanocubes showed a high efficiency in the catalytic reduction reaction of 4-nitroaniline to 4-phenylenediamine and a better performance than both Ag and SiO2/Ag nanoparticles. The grafted silver catalyst was recycled and reused at least fifteen times without a significant loss of catalytic efficiency. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr02680f

Method of producing buried porous silicon-geramanium layers in monocrystalline silicon lattices

NASA Technical Reports Server (NTRS)

Fathauer, Robert W. (Inventor); George, Thomas (Inventor); Jones, Eric W. (Inventor)

1997-01-01

Lattices of alternating layers of monocrystalline silicon and porous silicon-germanium have been produced. These single crystal lattices have been fabricated by epitaxial growth of Si and Si--Ge layers followed by patterning into mesa structures. The mesa structures are stain etched resulting in porosification of the Si--Ge layers with a minor amount of porosification of the monocrystalline Si layers. Thicker Si--Ge layers produced in a similar manner emitted visible light at room temperature.

Vibrational spectra and structures of neutral Si(m)C(n) clusters (m + n = 6): sequential doping of silicon clusters with carbon atoms.

PubMed

Savoca, Marco; Lagutschenkov, Anita; Langer, Judith; Harding, Dan J; Fielicke, André; Dopfer, Otto

2013-02-14

Vibrational spectra of mixed silicon carbide clusters Si(m)C(n) with m + n = 6 in the gas phase are obtained by resonant infrared-vacuum-ultraviolet two-color ionization (IR-UV2CI for n ≤ 2) and density functional theory (DFT) calculations. Si(m)C(n) clusters are produced in a laser vaporization source, in which the silicon plasma reacts with methane. Subsequently, they are irradiated with tunable IR light from an IR free electron laser before they are ionized with UV photons from an F(2) laser. Resonant absorption of one or more IR photons leads to an enhanced ionization efficiency for Si(m)C(n) and provides the size-specific IR spectra. IR spectra measured for Si(6), Si(5)C, and Si(4)C(2) are assigned to their most stable isomers by comparison with calculated linear absorption spectra. The preferred Si(m)C(n) structures with m + n = 6 illustrate the systematic transition from chain-like geometries for bare C(6) to three-dimensional structures for bare Si(6). In contrast to bulk SiC, carbon atom segregation is observed already for the smallest n (n = 2).

Electrical properties of double layer dielectric structures for space technology

NASA Astrophysics Data System (ADS)

Lian, Anqing

1993-04-01

Polymeric films such as polyimide (PI) and polyethylene terephthalate (PET) are used in space technology as thermal blankets. Thin SiO2 and SiN coatings plasma deposited onto PI and PET surfaces were proposed to protect the blanket materials against the space environment. The electrical properties of this kind of dual layer dielectric structure were investigated to understand the mechanisms for suppressing charge accumulation and flashover. Bulk and surface electrical conductivities of thin single-layer PI and PET samples and of the dual layer SiO2 and SiN combinations with PI and PET were measured in a range of applied electrical fields. The capacitance voltage (CV) technique was used for analyzing charge transport and distribution in the structures. The electric current in the bulk of the SiO2/PI and SiN/PI samples was found to depend on the polarity of the electric field. Other samples did not exhibit any such polarity effect. The polarity dependence is attributed to charge trapping at the PI/plasma deposit interface. The CV characteristics of the Al-PI-SiO2-Si structure confirm that charges which can modify the local electric field can be trapped near the interface. A model is proposed to interpret the properties of the currents in dual layer structures. This model can semi-quantitatively explain all the observed results.

A spot laser modulated resistance switching effect observed on n-type Mn-doped ZnO/SiO2/Si structure.

PubMed

Lu, Jing; Tu, Xinglong; Yin, Guilin; Wang, Hui; He, Dannong

2017-11-09

In this work, a spot laser modulated resistance switching (RS) effect is firstly observed on n-type Mn-doped ZnO/SiO 2 /Si structure by growing n-type Mn-doped ZnO film on Si wafer covered with a 1.2 nm native SiO 2 , which has a resistivity in the range of 50-80 Ω∙cm. The I-V curve obtained in dark condition evidences the structure a rectifying junction, which is further confirmed by placing external bias. Compared to the resistance state modulated by electric field only in dark (without illumination), the switching voltage driving the resistance state of the structure from one state to the other, shows clear shift under a spot laser illumination. Remarkably, the switching voltage shift shows a dual dependence on the illumination position and power of the spot laser. We ascribe this dual dependence to the electric filed produced by the redistribution of photo-generated carriers, which enhance the internal barrier of the hetero-junction. A complete theoretical analysis based on junction current and diffusion equation is presented. The dependence of the switching voltage on spot laser illumination makes the n-type Mn-doped ZnO/SiO 2 /Si structure sensitive to light, which thus allows for the integration of an extra functionality in the ZnO-based photoelectric device.

Kinetic analysis of the effects of target structure on siRNA efficiency

NASA Astrophysics Data System (ADS)

Chen, Jiawen; Zhang, Wenbing

2012-12-01

RNAi efficiency for target cleavage and protein expression is related to the target structure. Considering the RNA-induced silencing complex (RISC) as a multiple turnover enzyme, we investigated the effect of target mRNA structure on siRNA efficiency with kinetic analysis. The 4-step model was used to study the target cleavage kinetic process: hybridization nucleation at an accessible target site, RISC-mRNA hybrid elongation along with mRNA target structure melting, target cleavage, and enzyme reactivation. At this model, the terms accounting for the target accessibility, stability, and the seed and the nucleation site effects are all included. The results are in good agreement with that of experiments which show different arguments about the structure effects on siRNA efficiency. It shows that the siRNA efficiency is influenced by the integrated factors of target's accessibility, stability, and the seed effects. To study the off-target effects, a simple model of one siRNA binding to two mRNA targets was designed. By using this model, the possibility for diminishing the off-target effects by the concentration of siRNA was discussed.

Glucocorticoid Induction of Occludin Expression and Endothelial Barrier Requires Transcription Factor p54 NONO

PubMed Central

Keil, Jason M.; Liu, Xuwen; Antonetti, David A.

2013-01-01

Purpose. Glucocorticoids (GCs) effectively reduce retinal edema and induce vascular barrier properties but possess unwanted side effects. Understanding GC induction of barrier properties may lead to more effective and specific therapies. Previous work identified the occludin enhancer element (OEE) as a GC-responsive cis-element in the promoters of multiple junctional genes, including occludin, claudin-5, and cadherin-9. Here, we identify two OEE-binding factors and determine their contribution to GC induction of tight junction (TJ) gene expression and endothelial barrier properties. Methods. OEE-binding factors were isolated from human retinal endothelial cells (HREC) using DNA affinity purification followed by MALDI-TOF MS/MS. Chromatin immunoprecipitation (ChIP) assays determined in situ binding. siRNA was used to evaluate the role of trans-acting factors in transcription of TJ genes in response to GC stimulation. Paracellular permeability was determined by quantifying flux through a cell monolayer, whereas transendothelial electrical resistance (TER) was measured using the ECIS system. Results. MS/MS analysis of HREC nuclear extracts identified the heterodimer of transcription factors p54/NONO (p54) and polypyrimidine tract-binding protein-associated splicing factor (PSF) as OEE-binding factors, which was confirmed by ChIP assay from GC-treated endothelial cells and rat retina. siRNA knockdown of p54 demonstrated that this factor is necessary for GC induction of occludin and claudin-5 expression. Further, p54 knockdown ablated the pro-barrier effects of GC treatment. Conclusions. p54 is essential for GC-mediated expression of occludin, claudin-5, and barrier induction, and the p54/PSF heterodimer may contribute to normal blood-retinal barrier (BRB) induction in vivo. Understanding the mechanism of GC induction of BRB properties may provide novel therapies for macular edema. PMID:23640037

Glucocorticoid induction of occludin expression and endothelial barrier requires transcription factor p54 NONO.

PubMed

Keil, Jason M; Liu, Xuwen; Antonetti, David A

2013-06-12

Glucocorticoids (GCs) effectively reduce retinal edema and induce vascular barrier properties but possess unwanted side effects. Understanding GC induction of barrier properties may lead to more effective and specific therapies. Previous work identified the occludin enhancer element (OEE) as a GC-responsive cis-element in the promoters of multiple junctional genes, including occludin, claudin-5, and cadherin-9. Here, we identify two OEE-binding factors and determine their contribution to GC induction of tight junction (TJ) gene expression and endothelial barrier properties. OEE-binding factors were isolated from human retinal endothelial cells (HREC) using DNA affinity purification followed by MALDI-TOF MS/MS. Chromatin immunoprecipitation (ChIP) assays determined in situ binding. siRNA was used to evaluate the role of trans-acting factors in transcription of TJ genes in response to GC stimulation. Paracellular permeability was determined by quantifying flux through a cell monolayer, whereas transendothelial electrical resistance (TER) was measured using the ECIS system. MS/MS analysis of HREC nuclear extracts identified the heterodimer of transcription factors p54/NONO (p54) and polypyrimidine tract-binding protein-associated splicing factor (PSF) as OEE-binding factors, which was confirmed by ChIP assay from GC-treated endothelial cells and rat retina. siRNA knockdown of p54 demonstrated that this factor is necessary for GC induction of occludin and claudin-5 expression. Further, p54 knockdown ablated the pro-barrier effects of GC treatment. p54 is essential for GC-mediated expression of occludin, claudin-5, and barrier induction, and the p54/PSF heterodimer may contribute to normal blood-retinal barrier (BRB) induction in vivo. Understanding the mechanism of GC induction of BRB properties may provide novel therapies for macular edema.

MS/MS analysis and imaging of lipids across Drosophila brain using secondary ion mass spectrometry.

PubMed

Phan, Nhu T N; Munem, Marwa; Ewing, Andrew G; Fletcher, John S

2017-06-01

Lipids are abundant biomolecules performing central roles to maintain proper functioning of cells and biological bodies. Due to their highly complex composition, it is critical to obtain information of lipid structures in order to identify particular lipids which are relevant for a biological process or metabolic pathway under study. Among currently available molecular identification techniques, MS/MS in secondary ion mass spectrometry (SIMS) imaging has been of high interest in the bioanalytical community as it allows visualization of intact molecules in biological samples as well as elucidation of their chemical structures. However, there have been few applications using SIMS and MS/MS owing to instrumental challenges for this capability. We performed MS and MS/MS imaging to study the lipid structures of Drosophila brain using the J105 and 40-keV Ar 4000 + gas cluster ion source, with the novelty being the use of MS/MS SIMS analysis of intact lipids in the fly brain. Glycerophospholipids were identified by MS/MS profiling. MS/MS was also used to characterize diglyceride fragment ions and to identify them as triacylglyceride fragments. Moreover, MS/MS imaging offers a unique possibility for detailed elucidation of biomolecular distribution with high accuracy based on the ion images of its fragments. This is particularly useful in the presence of interferences which disturb the interpretation of biomolecular localization. Graphical abstract MS/MS was performed during time-of-flight secondary ion mass spectrometry (ToF-SIMS) analysis of Drosophila melongaster (fruit fly) to elucidate the structure and origin of different chemical species in the brain including a range of different phospholipid classes (PC, PI, PE) and di- and triacylglycerides (DAG & TAG) species where reference MS/MS spectra provided a potential means of discriminating between the isobaric [M-OH] + ion of DAGs and the [M-RCO] + ion of TAGs.

Preparation, characterization and luminescence properties of core–shell ternary terbium composites SiO2(600)@Tb(MABA-Si)•L

PubMed Central

Ma, Yang-Yang; Zheng, Yu-Shan; Bao, Jin-Rong; Li, Yi-Lian; Feng, Li-Na; Yang, Kui-Suo; Qiao, Yan; Wu, An-Ping

2018-01-01

Two novel core–shell structure ternary terbium composites SiO2(600)@Tb(MABA-Si)·L(L:dipy/phen) nanometre luminescence materials were prepared by ternary terbium complexes Tb(MABA-Si)·L2·(ClO4)3·2H2O shell grafted onto the surface of SiO2 microspheres. And corresponding ternary terbium complexes were synthesized using (CONH(CH2)3Si(OCH2CH3)3)2 (denoted as MABA-Si) as first ligand and L as second ligand coordinated with terbium perchlorate. The as-synthesized products were characterized by means of IR spectra, 1HNMR, element analysis, molar conductivity, SEM and TEM. It was found that the first ligand MABA-Si of terbium ternary complex hydrolysed to generate the Si–OH and the Si–OH condensate with the Si–OH on the surface of SiO2 microspheres; then ligand MABA-Si grafted onto the surface of SiO2 microspheres. The diameter of SiO2 core of SiO2(600)@Tb(MABA-Si)·L was approximately 600 nm. Interestingly, the luminescence properties demonstrate that the two core–shell structure ternary terbium composites SiO2(600)Tb(MABA-Si)·L(dipy/phen) exhibit strong emission intensities, which are 2.49 and 3.35 times higher than that of the corresponding complexes Tb(MABA-Si)·L2·(ClO4)3·2H2O, respectively. Luminescence decay curves show that core–shell structure ternary terbium composites have longer lifetime. Excellent luminescence properties enable the core–shell materials to have potential applications in medicine, industry, luminescent fibres and various biomaterials fields. PMID:29657773

Structure, morphology, and photoluminescence of porous Si nanowires: effect of different chemical treatments

PubMed Central

2013-01-01

The structure and light-emitting properties of Si nanowires (SiNWs) fabricated by a single-step metal-assisted chemical etching (MACE) process on highly boron-doped Si were investigated after different chemical treatments. The Si nanowires that result from the etching of a highly doped p-type Si wafer by MACE are fully porous, and as a result, they show intense photoluminescence (PL) at room temperature, the characteristics of which depend on the surface passivation of the Si nanocrystals composing the nanowires. SiNWs with a hydrogen-terminated nanostructured surface resulting from a chemical treatment with a hydrofluoric acid (HF) solution show red PL, the maximum of which is blueshifted when the samples are further chemically oxidized in a piranha solution. This blueshift of PL is attributed to localized states at the Si/SiO2 interface at the shell of Si nanocrystals composing the porous SiNWs, which induce an important pinning of the electronic bandgap of the Si material and are involved in the recombination mechanism. After a sequence of HF/piranha/HF treatment, the SiNWs are almost fully dissolved in the chemical solution, which is indicative of their fully porous structure, verified also by transmission electron microscopy investigations. It was also found that a continuous porous Si layer is formed underneath the SiNWs during the MACE process, the thickness of which increases with the increase of etching time. This supports the idea that porous Si formation precedes nanowire formation. The origin of this effect is the increased etching rate at sites with high dopant concentration in the highly doped Si material. PMID:24025542

Atomic Structure of Interface States in Silicon Heterojunction Solar Cells

NASA Astrophysics Data System (ADS)

George, B. M.; Behrends, J.; Schnegg, A.; Schulze, T. F.; Fehr, M.; Korte, L.; Rech, B.; Lips, K.; Rohrmüller, M.; Rauls, E.; Schmidt, W. G.; Gerstmann, U.

2013-03-01

Combining orientation dependent electrically detected magnetic resonance and g tensor calculations based on density functional theory we assign microscopic structures to paramagnetic states involved in spin-dependent recombination at the interface of hydrogenated amorphous silicon crystalline silicon (a-Si:H/c-Si) heterojunction solar cells. We find that (i) the interface exhibits microscopic roughness, (ii) the electronic structure of the interface defects is mainly determined by c-Si, (iii) we identify the microscopic origin of the conduction band tail state in the a-Si:H layer, and (iv) present a detailed recombination mechanism.