Interfacial Bonding Energy on the Interface between ZChSnSb/Sn Alloy Layer and Steel Body at Microscale

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Jianmei Wang

2017-09-01

Full Text Available To investigate the performance of bonding on the interface between ZChSnSb/Sn and steel body, the interfacial bonding energy on the interface of a ZChSnSb/Sn alloy layer and the steel body with or without Sn as an intermediate layer was calculated under the same loadcase using the molecular dynamics simulation software Materials Studio by ACCELRYS, and the interfacial bonding energy under different Babbitt thicknesses was compared. The results show that the bonding energy of the interface with Sn as an intermediate layer is 10% larger than that of the interface without a Sn layer. The interfacial bonding performances of Babbitt and the steel body with Sn as an intermediate layer are better than those of an interface without a Sn layer. When the thickness of the Babbitt layer of bushing is 17.143 Å, the interfacial bonding energy reaches the maximum, and the interfacial bonding performance is optimum. These findings illustrate the bonding mechanism of the interfacial structure from the molecular level so as to ensure the good bonding properties of the interface, which provides a reference for the improvement of the bush manufacturing process from the microscopic point of view.

Interfacial Bonding Energy on the Interface between ZChSnSb/Sn Alloy Layer and Steel Body at Microscale.

Science.gov (United States)

Wang, Jianmei; Xia, Quanzhi; Ma, Yang; Meng, Fanning; Liang, Yinan; Li, Zhixiong

2017-09-25

To investigate the performance of bonding on the interface between ZChSnSb/Sn and steel body, the interfacial bonding energy on the interface of a ZChSnSb/Sn alloy layer and the steel body with or without Sn as an intermediate layer was calculated under the same loadcase using the molecular dynamics simulation software Materials Studio by ACCELRYS, and the interfacial bonding energy under different Babbitt thicknesses was compared. The results show that the bonding energy of the interface with Sn as an intermediate layer is 10% larger than that of the interface without a Sn layer. The interfacial bonding performances of Babbitt and the steel body with Sn as an intermediate layer are better than those of an interface without a Sn layer. When the thickness of the Babbitt layer of bushing is 17.143 Å, the interfacial bonding energy reaches the maximum, and the interfacial bonding performance is optimum. These findings illustrate the bonding mechanism of the interfacial structure from the molecular level so as to ensure the good bonding properties of the interface, which provides a reference for the improvement of the bush manufacturing process from the microscopic point of view.

Comparative thermodynamic analysis of the Pb-Au0.7Sn0.3 section in the Pb-Au-Sn ternary system

International Nuclear Information System (INIS)

Trumic, B.; Zivkovic, D.; Zivkovic, Z.; Manasijevic, D.

2005-01-01

The results of comparative thermodynamic analysis of Pb-Au 0.7 Sn 0.3 section in Pb-Au-Sn system are presented in this paper. Investigation was done comparatively by calorimetric measurements and thermodynamic calculation according to the general solution model. Thermodynamic parameters, such as partial and integral molar quantities, were determined at different temperatures. The comparison between experimental and calculated results showed mutual agreement. Demixing tendency of lead, presented in the positive deviation from ideal behavior, was confirmed through the study of concentration fluctuation in the long-wavelength limit. Also, chosen alloys in the investigated section were characterized using SEM-EDX analysis

Theoretical prediction of thermodynamic activities of liquid Au-Sn-X (X=Bi, Sb, Zn) solder systems

Energy Technology Data Exchange (ETDEWEB)

Awe, O.E., E-mail: draweoe2004@yahoo.com [Department of Physics, University of Ibadan, Ibadan (Nigeria); Department of Physics and Engineering Physics, Obafemi Awolowo University, Ile-Ife (Nigeria); Oshakuade, O.M. [Department of Physics, University of Ibadan, Ibadan (Nigeria)

2017-02-15

Molecular interaction volume model has been theoretically used to predict the thermodynamic activities of tin in Au-Sn-Bi and Au-Sn-Sb and the thermodynamic activity of zinc in Au-Sn-Zn at experimental temperatures 800 K, 873 K and 973 K, respectively. On the premise of agreement between the predicted and experimental values, we predicted the activities of the remaining two components in each of the three systems. This prediction was extended from three cross-sections to five cross-sections, and to temperature range 400–600 K, relevant for applications. Iso-activities were plotted. Results show that addition of tin reduces the tendency for chemical short range order in both Au-Sb and Au-Zn systems, while addition of gold and bismuth, respectively, reduce the tendency for chemical short range order in Sn-Sb and Au-Sn systems. Also, we found that, in the desired high-temperature region for applications, while a combination of chemical order and miscibility of components exist in both Au-Sn-Bi and Au-Sn-Zn systems, only chemical order exist in the Au-Sn-Sb system. Results, further show that increase in temperature reduces the phase separation tendency in Au-Sn-Bi system.

Solid Liquid Interdiffusion Bonding of (Pb, Sn)Te Thermoelectric Modules with Cu Electrodes Using a Thin-Film Sn Interlayer

Science.gov (United States)

Chuang, T. H.; Lin, H. J.; Chuang, C. H.; Yeh, W. T.; Hwang, J. D.; Chu, H. S.

2014-12-01

A (Pb, Sn)Te thermoelectric element plated with a Ni barrier layer and a Ag reaction layer has been joined with a Cu electrode coated with Ag and Sn thin films using a solid-liquid interdiffusion bonding method. This method allows the interfacial reaction between Ag and Sn such that Ag3Sn intermetallic compounds form at low temperature and are stable at high temperature. In this study, the bonding strength was about 6.6 MPa, and the specimens fractured along the interface between the (Pb, Sn)Te thermoelectric element and the Ni barrier layer. Pre-electroplating a film of Sn with a thickness of about 1 μm on the thermoelectric element and pre-heating at 250°C for 3 min ensures the adhesion between the thermoelectric material and the Ni barrier layer. The bonding strength is thus increased to a maximal value of 12.2 MPa, and most of the fractures occur inside the thermoelectric material. During the bonding process, not only the Ag3Sn intermetallics but also Cu6Sn5 forms at the Ag3Sn/Cu interface, which transforms into Cu3Sn with increases in the bonding temperature or bonding time.

Chemial Bond and Stability of Adsorption of[Au(AsS3)]2- on the Surface of Kaolinite

Institute of Scientific and Technical Information of China (English)

MIN Xin-min; CHEN Yun; HONG Han-lie

2004-01-01

Density function theory and discrete variation method (DFT-DVM) were used to study the adsorption of [Au(AsS3 ) ]2- on the surface of kaolinite. The correlation among structure, chemical bond and stability was discussed. Several models were selected with [ Au( AsS3 ) ]2- in different directions and sites. The resultsshow that the models with gold on the edge of kaolinite basal layer contain pincerlike bond among gold and severaloxygen atoms and form strong Au - O covalent bond, so these models are more stable than those with gold aboveor under the layer. The models with gold near to [ AlO2(OH)4 ] octahedra are more stable than those with goldnear to the vacancy without aluminium. These two stable tendencies in kaolinite- [ Au( AsS3 ) ]2- are stronger thanthat in kaolinite-Au systems. The interaction between [ Au( AsS3 ) ]2- and kaolinite is stronger than that betweengold and kaolinite, and this interaction is strong enough to form the surface complexes.

Isomer shifts and chemical bonding in crystalline Sn(II) and Sn(IV) compounds

International Nuclear Information System (INIS)

Terra, J.; Guenzburger, D.

1991-01-01

First-principles self-consistent Local Density calculations of the electronic structure of clusters representing Sn(II) (SnO, SnF 2 , SnS, SnSe) and Sn(IV) (SnO 2 , SnF 4 ) crystalline compounds were performed. Values of the electron density at the Sn nucleus were obtained and related to measured values of the Moessbauer Isomer Shifts reported in the literature. The nuclear parameter of 119 Sn derived was ΔR/R=(1.58±0.14)x10 -4 . The chemical bonding in the solids was analysed and related to the electron densities obtained. (author)

Ge-Au eutectic bonding of Ge (100) single crystals

International Nuclear Information System (INIS)

Knowlton, W.B.; Beeman, J.W.; Emes, J.H.; Loretto, D.; Itoh, K.M.; Haller, E.E.

1993-01-01

The author present preliminary results on the eutectic bonding between two (100) Ge single crystal surfaces using thin films of Au ranging from 900 angstrom/surface to 300 angstrom/surface and Pd (10% the thickness of Au). Following bonding, plan view optical microscopy (OM) of the cleaved interface of samples with Au thicknesses ≤ 500 angstrom/surface show a eutectic morphology more conducive to phonon transmission through the bond interface. High resolution transmission electron microscopy (HRTEM) cross sectional interface studies of a 300 angstrom/surface Au sample show epitaxial growth of Ge. In sections of the bond, lattice continuity of the Ge is apparent through the interface. TEM studies also reveal heteroepitaxial growth of Au with a Au-Ge lattice mismatch of less than 2%. Eutectic bonds with 200 angstrom/surface Au have been attained with characterization pending. An optical polishing technique for Ge has been optimized to insure intimate contact between the Ge surfaces prior to bonding. Interferometry analysis of the optically polished Ge surface shows that surface height fluctuations lie within ±150 angstrom across an interval of lmm. Characterization of phonon transmission through the interface is discussed with respect to low temperature detection of ballistic phonons

Effect of Pd Surface Roughness on the Bonding Process and High Temperature Reliability of Au Ball Bonds

Science.gov (United States)

Huang, Y.; Kim, H. J.; McCracken, M.; Viswanathan, G.; Pon, F.; Mayer, M.; Zhou, Y. N.

2011-06-01

A 0.3- μm-thick electrolytic Pd layer was plated on 1 μm of electroless Ni on 1 mm-thick polished and roughened Cu substrates with roughness values ( R a) of 0.08 μm and 0.5 μm, respectively. The rough substrates were produced with sand-blasting. Au wire bonding on the Ni/Pd surface was optimized, and the electrical reliability was investigated under a high temperature storage test (HTST) during 800 h at 250°C by measuring the ball bond contact resistance, R c. The average value of R c of optimized ball bonds on the rough substrate was 1.96 mΩ which was about 40.0% higher than that on the smooth substrate. The initial bondability increased for the rougher surface, so that only half of the original ultrasonic level was required, but the reliability was not affected by surface roughness. For both substrate types, HTST caused bond healing, reducing the average R c by about 21% and 27%, respectively. Au diffusion into the Pd layer was observed in scanning transmission electron microscopy/ energy dispersive spectroscopy (STEM-EDS) line-scan analysis after HTST. It is considered that diffusion of Au or interdiffusion between Au and Pd can provide chemically strong bonding during HTST. This is supported by the R c decrease measured as the aging time increased. Cu migration was indicated in the STEM-EDS analysis, but its effect on reliability can be ignored. Au and Pd tend to form a complete solid solution at the interface and can provide reliable interconnection for high temperature (250°C) applications.

Controlling the Sn-C bonds content in SnO2@CNTs composite to form in situ pulverized structure for enhanced electrochemical kinetics.

Science.gov (United States)

Cheng, Yayi; Huang, Jianfeng; Qi, Hui; Cao, Liyun; Luo, Xiaomin; Li, Jiayin; Xu, Zhanwei; Yang, Jun

2017-12-07

The Sn-C bonding content between the SnO 2 and CNTs interface was controlled by the hydrothermal method and subsequent heat treatment. Electrochemical analysis found that the SnO 2 @CNTs with high Sn-C bonding content exhibited much higher capacity contribution from alloying and conversion reaction compared with the low content of Sn-C bonding even after 200 cycles. The high Sn-C bonding content enabled the SnO 2 nanoparticles to stabilize on the CNTs surface, realizing an in situ pulverization process of SnO 2 . The in situ pulverized structure was beneficial to maintain the close electrochemical contact of the working electrode during the long-term cycling and provide ultrafast transfer paths for lithium ions and electrons, which promoted the alloying and conversion reaction kinetics greatly. Therefore, the SnO 2 @CNTs composite with high Sn-C bonding content displayed highly reversible alloying and conversion reaction. It is believed that the composite could be used as a reference for design chemically bonded metal oxide/carbon composite anode materials in lithium-ion batteries.

Solid-state diffusion-controlled growth of the phases in the Au-Sn system

Science.gov (United States)

Baheti, Varun A.; Kashyap, Sanjay; Kumar, Praveen; Chattopadhyay, Kamanio; Paul, Aloke

2018-01-01

The solid state diffusion-controlled growth of the phases is studied for the Au-Sn system in the range of room temperature to 200 °C using bulk and electroplated diffusion couples. The number of product phases in the interdiffusion zone decreases with the decrease in annealing temperature. These phases grow with significantly high rates even at the room temperature. The growth rate of the AuSn4 phase is observed to be higher in the case of electroplated diffusion couple because of the relatively small grains and hence high contribution of the grain boundary diffusion when compared to the bulk diffusion couple. The diffraction pattern analysis indicates the same equilibrium crystal structure of the phases in these two types of diffusion couples. The analysis in the AuSn4 phase relating the estimated tracer diffusion coefficients with grain size, crystal structure, the homologous temperature of experiments and the concept of the sublattice diffusion mechanism in the intermetallic compounds indicate that Au diffuses mainly via the grain boundaries, whereas Sn diffuses via both the grain boundaries and the lattice.

Wetting Behavior of Ternary Au-Ge-X (X = Sb, Sn) Alloys on Cu and Ni

Science.gov (United States)

Jin, S.; Valenza, F.; Novakovic, R.; Leinenbach, C.

2013-06-01

Au-Ge-based alloys are potential substitutes for Pb-rich solders currently used for high-temperature applications. In the present work, the wetting behavior of two Au-Ge-X (X = Sb, Sn) ternary alloys, i.e., Au-15Ge-17Sb and Au-13.7 Ge-15.3Sn (at.%), in contact with Cu and Ni substrates has been investigated. Au-13.7Ge-15.3Sn alloy showed complete wetting on both Cu and Ni substrates. Total spreading of Au-15Ge-17Sb alloy on Cu was also observed, while the final contact angle of this alloy on Ni was about 29°. Pronounced dissolution of Cu substrates into the solder alloys investigated was detected, while the formation of Ni-Ge intermetallic compounds at the interface of both solder/Ni systems suppressed the dissolution of Ni into the solder.

Ultrasonic friction power during thermosonic Au and Cu ball bonding

International Nuclear Information System (INIS)

Shah, A; Mayer, M; Zhou, Y; Qin, I; Huynh, C; Meyer, M

2010-01-01

The ultrasonic friction power during thermosonic ball bonding with Au and Cu wires, both 25 μm in diameter, is derived with an improved method from experimental measurements during the bonding process. Experimental data include the current delivered to the ultrasonic transducer and the tangential force measured using piezoresistive microsensors integrated close to the Al bonding pad. The improvement results from a new, more accurate method to derive the mechanical compliance of the ultrasonic system. The method employs a bond process modification in which the ultrasonic current is ramped up sequentially in three steps. In the first two steps, the ultrasonic current is set to levels that are too low to cause sliding. The bonding takes place during the third step, when the current is ramped up to the optimum value required for making good quality bonds. The ultrasonic compliance values are derived from the first two steps and are 8.2 ± 0.5 μm N -1 and 7.7 ± 0.5 μm N -1 for the Au and Cu processes, respectively. These values are determined within an average error estimate of ±6%, substantially lower than the ±10% estimated with a previously reported method. The ultrasonic compliance in the case of Au is 6% higher due to the lower elastic modulus of Au compared with that of Cu. Typical maximum values of relative sliding amplitude of ultrasonic friction at the interface are 655 nm and 766 nm for the Au and Cu processes. These values are 81% of the free-air vibration amplitude of the bonding capillary tip for the respective ultrasonic current settings. Due to bond growth, which damps relative motion between the ball and the pad, the final relative amplitude at the bond interface is reduced to 4% of the equivalent free-air amplitude. Even though the maximum value of relative amplitude is 17% higher in the Cu process compared with the Au process, the average total interfacial sliding is 519 μm in the Cu process, which is 31% lower than that in the Au process (759 �

GeSn-on-insulator substrate formed by direct wafer bonding

Energy Technology Data Exchange (ETDEWEB)

Lei, Dian; Wang, Wei; Gong, Xiao, E-mail: elegong@nus.edu.sg, E-mail: yeo@ieee.org; Yeo, Yee-Chia, E-mail: elegong@nus.edu.sg, E-mail: yeo@ieee.org [Department of Electrical and Computer Engineering, National University of Singapore, Singapore 117576 (Singapore); Lee, Kwang Hong; Wang, Bing [Low Energy Electronic Systems (LEES), Singapore MIT Alliance for Research and Technology (SMART), 1 CREATE Way, #10-01 CREATE Tower, Singapore 138602 (Singapore); Bao, Shuyu [Low Energy Electronic Systems (LEES), Singapore MIT Alliance for Research and Technology (SMART), 1 CREATE Way, #10-01 CREATE Tower, Singapore 138602 (Singapore); School of Electrical and Electronic Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Tan, Chuan Seng [School of Electrical and Electronic Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore)

2016-07-11

GeSn-on-insulator (GeSnOI) on Silicon (Si) substrate was realized using direct wafer bonding technique. This process involves the growth of Ge{sub 1-x}Sn{sub x} layer on a first Si (001) substrate (donor wafer) followed by the deposition of SiO{sub 2} on Ge{sub 1-x}Sn{sub x}, the bonding of the donor wafer to a second Si (001) substrate (handle wafer), and removal of the Si donor wafer. The GeSnOI material quality is investigated using high-resolution transmission electron microscopy, high-resolution X-ray diffraction (HRXRD), atomic-force microscopy, Raman spectroscopy, and spectroscopic ellipsometry. The Ge{sub 1-x}Sn{sub x} layer on GeSnOI substrate has a surface roughness of 1.90 nm, which is higher than that of the original Ge{sub 1-x}Sn{sub x} epilayer before transfer (surface roughness is 0.528 nm). The compressive strain of the Ge{sub 1-x}Sn{sub x} film in the GeSnOI is as low as 0.10% as confirmed using HRXRD and Raman spectroscopy.

Investigation of microstructural evolution and electrical properties for Ni-Sn transient liquid-phase sintering bonding

Science.gov (United States)

Feng, Hong-Liang; Huang, Ji-Hua; Yang, Jian; Zhou, Shao-Kun; Zhang, Rong; Wang, Yue; Chen, Shu-Hai

2017-11-01

Ni/Ni-Sn/Ni sandwiched simulated package structures were successfully bonded under low temperature and low pressure by Ni-Sn transient liquid-phase sintering bonding. The results show that, after isothermally holding for 240 min at 300 °C and 180 min at 340 °C, Sn was completely transformed into Ni3Sn4 intermetallic compounds. When the Ni3Sn4 phases around Ni particles were pressed together, the porosity of the bonding layer increased, which obviously differed from the normal sintering densification process. With further analysis of this phenomenon, it was found that large volume shrinkage (14.94% at 340 °C) occurred when Ni reacted with Sn to form Ni3Sn4, which caused void formation. A mechanistic model of the microstructural evolution in the bonding layer was proposed. Meanwhile, the resistivity of the bonding layer was measured and analyzed by using the four-probe method; the microstructural evolution was well reflected by the resistivity of the bonding layer. The relationship between the resistivity and microstructure was also discussed in detail.[Figure not available: see fulltext.

Microwave heated polyol synthesis of carbon supported PtAuSn/C nanoparticles for ethanol electrooxidation

Energy Technology Data Exchange (ETDEWEB)

Zhu, Hong; Han, Kefei [School of Science, State key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China); Liu, Yingli; Chang, Zhaorong [College of Chemistry and Environmental Science, Henan Normal University, Xinxiang, Henan (China); Shen, Liangbo [Beijing No.4 High School, Beijing (China); Wei, Yongsheng; Guo, Zhijun (School of Science Beijing Jiaotong University Beijing P. R. China); Wang, Haijiang [Institute for Fuel Cell Innovation, National Research Council of (Canada)

2010-04-15

Carbon-supported PtAuSn/C nanoparticle catalyst was synthesized by a microwave-assisted polyol process. The process is a quick process that only requires a few minutes to complete. The catalyst thus obtained was characterized by transmission electron microscopy and X-ray diffraction analysis. The electrochemical performance of the catalyst, for the ethanol oxidation reaction, was also investigated. The results indicated that the PtAuSn/C catalyst was uniformly dispersed on carbon and was in the nano-size range. The electrochemical measurements indicated that PtAuSn/C nanoparticle catalyst synthesized by the microwave-assisted polyol method demonstrated a significantly higher electrochemically active area and higher catalytic activity than Pt/C for the ethanol oxidation reaction. (author)

Effect of different oxidation treatments on the bonding strength of new dental alloys

International Nuclear Information System (INIS)

Lee, Sang-Bae; Lee, Ju-hye; Kim, Woong-Chul; Oh, Sae-Yoon; Kim, Kyoung-Nam; Kim, Ji-Hwan

2009-01-01

The influences of heat treatment and addition of a small amount of base metal (In, Sn, and Ir) for oxidation in Au-Pt-based alloy were investigated by electron spectroscopy and scanning electron microscopy. Au-Pt-based alloys were prepared by argon-arc melting furnace and then they are heat treated. Oxidation on alloy was significantly affected by addition of base metal (In and Sn) and heat treatment. The bond strength of the alloys was not dependent on the changing heat treatment. These results indicated that the Sn and In could be effective as oxidation elements for porcelain bonding to gold alloys.

The Au/Si eutectic bonding compatibility with KOH etching for 3D devices fabrication

Science.gov (United States)

Liang, Hengmao; Liu, Mifeng; Liu, Song; Xu, Dehui; Xiong, Bin

2018-01-01

KOH etching and Au/Si eutectic bonding are cost-efficient technologies for 3D device fabrication. Aimed at investigating the process compatibility of KOH etching and Au/Si bonding, KOH etching tests have been carried out for Au/bulk Si and Au/amorphous Si (a-Si) bonding wafers in this paper. For the Au/bulk Si bonding wafer, a serious underetch phenomenon occurring on the damage layer in KOH etching definitely results in packaging failure. In the microstructure analysis, it is found that the formation of the damage layer between the bonded layer and bulk Si is attributed to the destruction of crystal Si lattices in Au/bulk Si eutectic reaction. Considering the occurrence of underetch for Au/Si bonding must meet two requirements: the superfluous Si and the defective layer near the bonded layer, the Au/a-Si bonding by regulating the a-Si/Au thickness ratio is presented in this study. Only when the a-Si/Au thickness ratio is relatively low are there not underetch phenomena, of which the reason is the full reaction of the a-Si layer avoiding the formation of the damage layer for easy underetch. Obviously, the Au/a-Si bonding via choosing a moderate a-Si/Au thickness ratio (⩽1.5:1 is suggested) could be reliably compatible with KOH etching, which provides an available and low-cost approach for 3D device fabrication. More importantly, the theory of the damage layer proposed in this study can be naturally applied to relevant analyses on the eutectic reaction of other metals and single crystal materials.

Effect of iodine on the corrosion of Au-Al wire bonds

DEFF Research Database (Denmark)

Verdingovas, Vadimas; Müller, Lutz; Jellesen, Morten Stendahl

2015-01-01

Corrosion study was performed on Au-Al wire bonds, thin layers of sputter deposited Au and Al, and Au-Al intermetallic nuggets. The test environment was iodine-vapour in air (1. mg/L) at 85 °C with varying relative humidity, and 500 mg/L of KI in water. GDOES, XRD, SEM EDS, wire bond shear......, and electrochemical testing were used to characterize the samples. Failures of Au-Al wire bonds were found to be primarily attributed to the corrosion of Al via formation of Al iodides and consequent formation of Al oxides and/or hydroxides. Most susceptible to corrosion are Al metallization and Al rich intermetallic...

Microstructural Evolution of Ni-Sn Transient Liquid Phase Sintering Bond during High-Temperature Aging

Science.gov (United States)

Feng, Hongliang; Huang, Jihua; Peng, Xianwen; Lv, Zhiwei; Wang, Yue; Yang, Jian; Chen, Shuhai; Zhao, Xingke

2018-05-01

For high-temperature-resistant packaging of new generation power chip, a chip packaging simulation structure of Ni/Ni-Sn/Ni was bonded by a transient liquid-phase sintering process. High-temperature aging experiments were carried out to investigate joint heat stability. The microstructural evolution and mechanism during aging, and mechanical properties after aging were analyzed. The results show that the 30Ni-70Sn bonding layer as-bonded at 340°C for 240 min is mainly composed of Ni3Sn4 and residual Ni particles. When aged at 350°C, because of the difficulty of nucleation for Ni3Sn and quite slow growth of Ni3Sn2, the bonding layer is stable and the strength of that doesn't change obviously with aging time. When aging temperature increased to 500°C, however, the residual Ni particles were gradually dissolved and the bonding layer formed a stable structure with dominated Ni3Sn2 after 36 h. Meanwhile, due to the volume shrinkage (4.43%) from Ni3Sn2 formation, a number of voids were formed. The shear strength shows an increase, resulting from Ni3Sn2 formation, but then it decreases slightly caused by voids. After aging at 500°C for 100 h, shear strength is still maintained at 29.6 MPa. In addition, the mechanism of void formation was analyzed and microstructural evolution model was also established.

Facile approach to synthesize uniform Au@mesoporous SnO{sub 2} yolk–shell nanoparticles and their excellent catalytic activity in 4-nitrophenol reduction

Energy Technology Data Exchange (ETDEWEB)

Wang, Ya [Changchun University of Science and Technology, School of Chemistry & Environmental Engineering (China); Li, Lu; Wang, Chungang, E-mail: wangcg925@nenu.edu.cn [Northeast Normal University, Faculty of Chemistry (China); Wang, Tingting, E-mail: wangtt@cust.edu.cn [Changchun University of Science and Technology, School of Chemistry & Environmental Engineering (China)

2016-01-15

Monodispersed and uniform Au@mesoporous SnO{sub 2} yolk–shell nanoparticles (Au@mSnO{sub 2} yolk–shell NPs) composed of the moveable Au NP cores and mSnO{sub 2} shells have been successfully fabricated via a facile and reproducible approach. The outside mSnO{sub 2} shells of Au@mSnO{sub 2} yolk–shell NPs not only prevent Au NPs from aggregating and corroding by the reaction solution but also allow the Au NPs to contact with reactant molecules easily through the mesoporous channels. The obtained Au@mSnO{sub 2} yolk–shell NPs are characterized by means of transmission electron microscope, scanning electron microscopy, X-ray powder diffraction, X-ray photoelectron spectrum, and UV–vis absorption spectroscopy. The synthesized materials exhibit excellent catalytic performance and high stability towards the reduction of 4-nitrophenol with NaBH{sub 4} as a reducing agent, which may be ascribed to their high specific surface area and unique mesoporous structure. Moreover, the synthetic strategy reported in this paper can be extended to fabricate a series of multifunctional noble metal@metal oxide yolk–shell nanocomposite materials with unique properties for various applications.

Mechanical control of the plasmon coupling with Au nanoparticle arrays fixed on the elastomeric film via chemical bond

Science.gov (United States)

Bedogni, Elena; Kaneko, Satoshi; Fujii, Shintaro; Kiguchi, Manabu

2017-03-01

We have fabricated Au nanoparticle arrays on the flexible poly(dimethylsiloxane) (PDMS) film. The nanoparticles were bound to the film via a covalent bond by a ligand exchange reaction. Thanks to the strong chemical bonding, highly stable and uniformly dispersed Au nanoparticle arrays were fixed on the PDMS film. The Au nanoparticle arrays were characterized by the UV-vis, scanning electron microscope (SEM) and surface enhanced Raman scattering (SERS). The UV-vis and SEM measurements showed the uniformity of the surface-dispersed Au nanoparticles, and SERS measurement confirmed the chemistry of the PDMS film. Reflecting the high stability and the uniformity of the Au nanoparticle arrays, the plasmon wavelength of the Au nanoparticles reversely changed with modulation of the interparticle distance, which was induced by the stretching of the PDMS film. The plasmon wavelength linearly decreased from 664 to 591 nm by stretching of 60%. The plasmon wavelength shift can be explained by the change in the strength of the plasmon coupling which is mechanically controlled by the mechanical strain.

Microstructural evaluation of interfacial intermetallic compounds in Cu wire bonding with Al and Au pads

International Nuclear Information System (INIS)

Kim, Hyung Giun; Kim, Sang Min; Lee, Jae Young; Choi, Mi Ri; Choe, Si Hyun; Kim, Ki Hong; Ryu, Jae Sung; Kim, Sangshik; Han, Seung Zeon; Kim, Won Yong; Lim, Sung Hwan

2014-01-01

A comparative study on the difference in interfacial behavior of thermally aged Cu wire bonding with Al and Au pads was conducted using transmission electron microscopy. During high-temperature lifetime testing of Cu wire bonding with Al and Au pads at 175 °C for up to 2000 h, different growth rates and growth characteristics were investigated in the Cu–Al intermetallic compounds (IMCs), including CuAl 2 , CuAl and Cu 9 Al 4 , and in the Cu–Au IMCs, including (Au,Cu), Cu 3 Au and (Cu,Au). Because of the lower growth rates and greater ductility of Cu–Au IMCs compared to those of Cu–Al IMCs, the Cu wire bonding with the Au pad showed relatively better thermal aging properties of bond pull strength and ball shear strength than those with the Al pad counterpart. In this study, the coherent interfaces were found to retard the growth of IMCs, and a variety of orientation relationships between wire, pad and interfacial IMCs were identified

Ethanol electro-oxidation in alkaline medium using Pd/MWCNT and PdAuSn/MWCNT electrocatalysts prepared by electron beam irradiation

Energy Technology Data Exchange (ETDEWEB)

Geraldes, Adriana Napoleao; Silva, Dionisio Furtunato da; Andrade e Silva, Leonardo Gondin de; Spinace, Estevam Vitorio; Oliveira Neto, Almir, E-mail: drinager@ig.com.br, E-mail: dfsilva@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Santos, Mauro Coelho dos [Universidade Federal do ABC (LEMN/CCNH/UFABC), Santo Andre, SP (Brazil)

2015-07-01

Environmental problems and the world growing demand for energy has mobilized the scientific community in finding of clean and renewable energy sources. In this context, fuel cells appear as appropriate technology for generating electricity through alcohols electro-oxidation. Multi Wall Carbon Nanotubes (MWCNT)-supported Pd and trimetallic PdAuSn (Pd:Au:Sn 50:10:40 atomic ratio) electrocatalysts were prepared using electron beam irradiation. The obtained materials were characterized by VC, Chronoamperometry, EDX, TEM and XRD. The catalytic activities of electrocatalysts toward ethanol electro-oxidation were evaluated in alkaline medium in a single alkaline direct ethanol fuel cell (ADEFC) in a range temperature 60 to 90 deg C. The best performances were obtained at 85 deg C: 33 mW.cm{sup -2} and 31 mW.cm{sup -2} for Pd/ MWCNT and PdAuSn/MWCNT electrocatalysts, respectively. X-ray diffractograms of electrocatalysts showed the presence of Pd-rich (fcc) and Au-rich (fcc) phases. Cyclic voltammetry and chronoamperometry experiments showed that PdAuSn/MWCNT electrocatalyst demonstrated similar activity toward ethanol electro-oxidation at room temperature, compared to electrocatalyst Pd/MWCNT. (author)

Ethanol electro-oxidation in alkaline medium using Pd/MWCNT and PdAuSn/MWCNT electrocatalysts prepared by electron beam irradiation

International Nuclear Information System (INIS)

Geraldes, Adriana Napoleao; Silva, Dionisio Furtunato da; Andrade e Silva, Leonardo Gondin de; Spinace, Estevam Vitorio; Oliveira Neto, Almir; Santos, Mauro Coelho dos

2015-01-01

Environmental problems and the world growing demand for energy has mobilized the scientific community in finding of clean and renewable energy sources. In this context, fuel cells appear as appropriate technology for generating electricity through alcohols electro-oxidation. Multi Wall Carbon Nanotubes (MWCNT)-supported Pd and trimetallic PdAuSn (Pd:Au:Sn 50:10:40 atomic ratio) electrocatalysts were prepared using electron beam irradiation. The obtained materials were characterized by VC, Chronoamperometry, EDX, TEM and XRD. The catalytic activities of electrocatalysts toward ethanol electro-oxidation were evaluated in alkaline medium in a single alkaline direct ethanol fuel cell (ADEFC) in a range temperature 60 to 90 deg C. The best performances were obtained at 85 deg C: 33 mW.cm -2 and 31 mW.cm -2 for Pd/ MWCNT and PdAuSn/MWCNT electrocatalysts, respectively. X-ray diffractograms of electrocatalysts showed the presence of Pd-rich (fcc) and Au-rich (fcc) phases. Cyclic voltammetry and chronoamperometry experiments showed that PdAuSn/MWCNT electrocatalyst demonstrated similar activity toward ethanol electro-oxidation at room temperature, compared to electrocatalyst Pd/MWCNT. (author)

Preparation, Spectroscopic Characterization, and Frontier MO Study of the Heteronuclear Luminescent [Pt(2)Au(2)(dmb)(2)(PPh(3))(4)](PF(6))(2) Cluster (dmb = 1,8-Diisocyano-p-menthane). A Cluster with a Formal Au(0)-Au(0) Bond Encapsulated inside a "Pt(2)(dmb)(2)(2+) " Fragment.

Science.gov (United States)

Zhang, Tianle; Drouin, Marc; Harvey, Pierre D.

1999-11-01

The title compound is prepared from the direct reaction of Pt(2)(dba)(3) (dba = dibenzylideneacetone) and [Au(PPh(3))(2)](PF(6)) in the presence of 1,8-diisocyano-p-methane (dmb), with Pt(2)(dmb)(2)Cl(2), [Pt(4)(dmb)(4)(PPh(3))(2)](PF(6))(2), and (PPh(3))AuCl being formed as parallel products. X-ray crystallography reveals the presence of a quasi-linear PPh(3)Au-AuPPh(3) fragment encapsulated inside a "Pt(2)(dmb)(2)(2+)" ring which is axially coordinated with two PPh(3) ligands. The d(AuAu) is 2.5977(6) Å and is indicative of a strong Au-Au single bond. The IR nu(CN) data reveal that the Pt oxidation state is I, which places the Au oxidation state at 0. The PtAu distances are 2.8422(5) and 2.8082(5) Å. The Raman-active nu(Au(2)), nu(PtAu) (b(2g) + a(g)), nu(PtP), nu(AuP), and nu(PtC) are found at 121.2, approximately 100, 85.5, 162.1, 183.1, and 457.2, and 440.9 cm(-)(1), respectively. The PtAu (0.67 mdyn Å(-)(1)) and Au(2) (1.21 mdyn Å(-)(1)) force constants (F) confirm the presence of medium PtAu and strong Au(2) bonding interactions. The absorption spectra are characterized by strong bands at lambda(max) (epsilon, M(-1) cm(-1)) at 316 (32 300), 366 (37 800), and 418 nm (21 500) and lower intensity features at 516 (2860) and 655 nm (834). The cluster is luminescent at low temperatures (solid and frozen glasses), and in the solid state at room temperature, and exhibits an emission band at approximately 875 nm, and an emission lifetime, tau(e), of 4.4 +/- 0.4 ns (solvent = butyronitrile, T = 77 K).

Sensitive electrochemical immunosensor for α-fetoprotein based on graphene/SnO2/Au nanocomposite.

Science.gov (United States)

Liu, Junfeng; Lin, Guanhua; Xiao, Can; Xue, Ying; Yang, Ankang; Ren, Hongxuan; Lu, Wensheng; Zhao, Hong; Li, Xiangjun; Yuan, Zhuobin

2015-09-15

A label-free electrochemical immunosensor for sensitive detection of α-fetoprotein (AFP) was developed based on graphene/SnO2/Au nanocomposite. The graphene/SnO2/Au nanocomposite modified glassy carbon electrode was used to immobilize α-fetoprotein antibody (anti-AFP) and to construct the immunosensor. Results demonstrated that the peak currents of [Ru(NH3)6](3+) decreased due to the interaction between antibody and antigen on the modified electrode. Thus, a label-free immunosensor for the detection of AFP was realized by monitoring the peak current change of [Ru(NH3)6](3+). The factors influencing the performance of the immunosensor were investigated in details. Under optimal conditions, the peak currents obtained by DPV decreased linearly with the increasing AFP concentrations in the range from 0.02 to 50 ng mL(-1) with a linear coefficient of 0.9959. This electrochemical immunoassay has a low detection limit of 0.01 ng mL(-1) (S/N=3) and was successfully applied to the determination of AFP in serum samples. Copyright © 2015 Elsevier B.V. All rights reserved.

Development of bonding techniques between W and Cu-alloys for plasma facing components by HIP method (3). Bonding tests with Au-foil insert

International Nuclear Information System (INIS)

Saito, Shigeru

2002-07-01

In recent years, it has been considered that W (tungsten) is one of candidate materials for armor tiles of plasma a facing components (PFC), like first wall or divertor, of fusion reactor. On the other hand, Cu-alloys, like OFHC-Cu or DS-Cu, are proposed as heat sink materials behind the plasma facing materials because of its high thermal conductivity. It is necessary to develop a reliable bonding techniques in order to fabricate PFC. JAERI has developed the hot isostatic press (HIP) bonding process to bond W with Cu-alloys. In this experiments, bonding tests with Au-foil insert were performed. We could get the best HIP bonding conditions for W and Cu-alloys with Au-foil as 1123K x 2hours x 147MPa. It was shown that the HIP temperature was 150K lower than that of without Au-foil. Furthermore, the tensile strength was similar to that of with without Au-foil. (author)

A study of Sn addition on bonding arrangement of Se-Te alloys using far infrared transmission spectroscopy

International Nuclear Information System (INIS)

Kumar, Rajneesh; Rangra, V. S.; Sharma, Parikshit; Katyal, S. C.; Sharma, Pankaj

2011-01-01

Far infrared transmission spectra of Se 92 Te 8-x Sn x (x = 0, 1, 2, 3, 4, 5) glassy alloys are obtained in the spectral range 50-600 cm -1 at room temperature. The results are interpreted in terms of the vibrations of the isolated molecular units in such a way so as to preserve fourfold and twofold coordination for Sn and chalcogen atoms (Se,Te), respectively. With the addition of Sn, Far-IR spectra shift toward high frequency side and some new bands start appearing. Sn atoms appear to substitute for the selenium atoms in the outrigger sites due to large bond formation probability. Theoretical calculations of bond energy, relative probability of bond formation, force constant, and wave number were also made to justify the result.

Enhanced magneto-plasmonic effect in Au/Co/Au multilayers caused by exciton–plasmon strong coupling

Energy Technology Data Exchange (ETDEWEB)

Hamidi, S.M., E-mail: m_hamidi@sbu.ac.ir; Ghaebi, O.

2016-09-15

In this paper, we have investigated magneto optical Kerr rotation using the strong coupling of exciton–plasmon. For this purpose, we have demonstrated strong coupling phenomenon using reflectometry measurements. These measurements revealed the formation of two split polaritonic extrema in reflectometry as a function of wavelength. Then we have shown exciton–plasmon coupling in dispersion diagram which presented an anti-crossing between the polaritonic branches. To assure the readers of strong coupling, we have shown an enhanced magneto-optical Kerr rotation by comparing the reflectometry results of strong coupling of surface Plasmon polariton of Au/Co/Au multilayer and R6G excitons with surface Plasmon polariton magneto-optical kerr effect experimental setup. - Highlights: • The magneto optical Kerr rotation has been investigated by using the strong coupling of exciton–plasmon. • We have shown exciton–plasmon coupling in dispersion diagram which presented an anti-crossing between the polaritonic branches. • Strong coupling of surface plasmon polariton and exciton have been yielded to the enhanced magneto-optical Kerr effect. • Plasmons in Au/Co/Au multilayer and exciton in R6G have been coupled to enhance magneto-optical activity.

A feasibility study on different NDT techniques used for testing bond quality in cold roll bonded Al-Sn alloy/steel bimetal strips

Directory of Open Access Journals (Sweden)

Tallafuss Philipp Johannes

2017-01-01

Full Text Available This paper presents non-destructive testing (NDT results for the detection of bond defects in aluminium-tin (Al-Sn alloy/steel bimetal strips. Among all types of bimetal strip that are used in the automotive industry for plain journal engine bearings, Al-Sn alloys cold roll bonded (CRB onto steel backing is the most common type. The difficulty to evaluate the metallurgical bond between the two dissimilar metals is a major industrial concern, which comprises the risk that bearings fail in the field. Considering the harsh performance requirements, 100% online non-destructive testing would be desirable to significantly reduce the business risk. Nowadays bimetal strip manufacturers still rely on destructive testing through different peel-off tests. This work offers the results from four independent NDT studies, using active thermography, shearography, ultrasound and guided wave electromagnetic acoustic transducers (EMATs and samples with different artificially implanted defects, to explore the feasibility to qualitatively indicate the occurrence of bond defects. A destructive peel off test was used to correlate the NDT results with known bond quality. The studies were done under laboratory conditions, and in case of ultrasound also online under production conditions. During the ultrasound online test, the requirements that a NDT technique has to fulfil for online inspection of Al-Sn alloy/steel bimetal strip were established. For active thermography, shearography and guided wave EMAT techniques, it was theoretically analysed, if the laboratory test results could be transferred to testing under production conditions. As a result, guided waves using EMATs, among the four tested methods, are best suited for online inspection of Al-Sn alloy/steel bimetal strip. This research was carried out in collaboration with MAHLE Engine Systems UK Ltd., an Al-Sn alloy/steel bimetal strip manufacturer for the automotive industry.

Nano features of Al/Au ultrasonic bond interface observed by high resolution transmission electron microscopy

International Nuclear Information System (INIS)

Ji Hongjun; Li Mingyu; Kim, Jong-Myung; Kim, Dae-Won; Wang Chunqing

2008-01-01

Nano-scale interfacial details of ultrasonic AlSi1 wire wedge bonding to a Au/Ni/Cu pad were investigated using high resolution transmission electron microscopy (HRTEM). The intermetallic phase Au 8 Al 3 formed locally due to diffusion and reaction activated by ultrasound at the Al/Au bond interface. Multilayer sub-interfaces roughly parallel to the wire/pad interface were observed among this phase, and interdiffusional features near the Au pad resembled interference patterns, alternately dark and bright bars. Solid-state diffusion theory cannot be used to explain why such a thick compound formed within milliseconds at room temperature. The major formation of metallurgical bonds was attributed to ultrasonic cyclic vibration

Solid-liquid interdiffusion (SLID) bonding in the Au-In system: experimental study and 1D modelling

Science.gov (United States)

Deillon, Léa; Hessler-Wyser, Aïcha; Hessler, Thierry; Rappaz, Michel

2015-12-01

Au-In bonds with a nominal composition of about 60 at.% In were fabricated for use in wafer-level packaging of MEMS. The microstructure of the bonds was studied by scanning electron microscopy. The bond hermeticity was then assessed using oxidation of Cu thin discs predeposited within the sealed packages. The three intermetallic compounds AuIn2, AuIn and Au7In3 were observed. Their thickness evolution during bonding and after subsequent heat treatment was successfully modelled using a finite difference model of diffusion, thermodynamic data and diffusion coefficients calibrated from isothermal diffusion couples. 17% of the packages were hermetic and, although the origin of the leaks could not be clearly identified, it appeared that hermeticity was correlated with the unevenness of the metallisation and/or wafer and the fact that the bonds shrink due to density differences as the relative fractions of the various phases gradually evolve.

Investigation of the bond strength between the photo-sensitive polymer SU-8 and Au

DEFF Research Database (Denmark)

Nordstrom, Maria; Johansson, Alicia; Sanches-Noguerón, E.

2004-01-01

promotors between the SU-8 and Au (ii) the effect of the processing sequence, either keeping SU-8 as bottum layer or Au (iii) varying the UV exposure dosage of the SU-8. For comparison, also the bond strength between SU-8 and other materials was measured. We report on bond strength of 4.8 +/- 1.2 MPa...

Design and tailoring of Ni-Sn-W composites for bonded abrasive applications

Energy Technology Data Exchange (ETDEWEB)

Kourtoukova, G.L.; Demetry, C.; Biederman, R.R. [Worcester Polytechnic Inst., MA (United States). Materials Science and Engineering Program; Ramanath, S.; Andrews, R.M.; Jacobs, D.S. [Saint-Gobain/Norton Company, Worcester, MA (United States)

2000-01-15

The combination of properties ideal for metal bonds in abrasive products can rarely be achieved in a monolithic material. This research demonstrates a successful approach for producing a composite bond with higher elastic modulus without a significant increase in wear resistance, by taking advantage of the reaction between matrix and reinforcement to produce intermetallics. Composites comprised of a Ni-Sn matrix with continuous W fiber and/or W powder dispersoid were prepared by powder metallurgy methods. Composite specimens densified by hot pressing were characterized with a combination of scanning electron microscopy (SEM) and energy dispersive X-ray (EDX) analyses, measurements of wear resistance, and measurements of Young's modulus and hardness by both bulk and nanoindentation methods. A significant stiffening effect was observed; the elastic modulus of the composites was up to 30% greater than that predicted by a rule of mixtures based on the moduli of the unreacted fiber and matrix constituents alone. As desired, the wear resistance of the composite was approximately equal to that of the Ni-Sn matrix. One contribution to this combination of properties is believed to be the high elastic moduli and likely low fracture toughness of the Ni-W and Ni-Sn intermetallics that are formed. Properties of the Ni-Sn-W composites are contrasted with those of a Ni-Sn matrix reinforced with WC particulate, where no reaction occurs at the interface. (orig.)

Realization of ppm-level CO detection with exceptionally high sensitivity using reduced graphene oxide-loaded SnO2 nanofibers with simultaneous Au functionalization.

Science.gov (United States)

Kim, Jae-Hun; Katoch, Akash; Kim, Hyoun Woo; Kim, Sang Sub

2016-03-07

We have realized the highly sensitive, selective ppm-level carbon monoxide (CO) detection based on graphene oxide (RGO) nanosheets-loaded SnO2 nanofibers with simultaneous Au functionalization. The interplay between RGO/Au and SnO2 in terms of transfer of charge carriers and modulation of potential barriers is responsible for the exceptionally high CO detectability.

Spectroscopic Identification of the Au-C Bond Formation upon Electroreduction of an Aryl Diazonium Salt on Gold.

Science.gov (United States)

Guo, Limin; Ma, Lipo; Zhang, Yelong; Cheng, Xun; Xu, Ye; Wang, Jin; Wang, Erkang; Peng, Zhangquan

2016-11-08

Electroreduction of aryl diazonium salts on gold can produce organic films that are more robust than their analogous self-assembled monolayers formed from chemical adsorption of organic thiols on gold. However, whether the enhanced stability is due to the Au-C bond formation remains debated. In this work, we report the electroreduction of an aryl diazonium salt of 4,4'-disulfanediyldibenzenediazonium on gold forming a multilayer of Au-(Ar-S-S-Ar) n , which can be further degraded to a monolayer of Au-Ar-S - by electrochemical cleavage of the S-S moieties within the multilayer. By conducting an in situ surface-enhanced Raman spectroscopic study of both the multilayer formation/degradation and the monolayer reduction/oxidation processes, coupled to density functional theory calculations, we provide compelling evidence that an Au-C bond does form upon electroreduction of aryl diazonium salts on gold and that the enhanced stability of the electrografted organic films is due to the Au-C bond being intrinsically stronger than the Au-S bond for a given phenylthiolate compound by ca. 0.4 eV.

Structural and phonon transmission study of Ge-Au-Ge eutectically bonded interfaces

International Nuclear Information System (INIS)

Knowlton, W.B.; Lawrence Berkeley Lab., CA

1995-07-01

This thesis presents a structural analysis and phonon transparency investigation of the Ge-Au-Ge eutectic bond interface. Interface development was intended to maximize the interfacial ballistic phonon transparency to enhance the detection of the dark matter candidate WIMPs. The process which was developed provides an interface which produces minimal stress, low amounts of impurities, and insures Ge lattice continuity through the interface. For initial Au thicknesses of greater than 1,000 angstrom Au per substrate side, eutectic epitaxial growth resulted in a Au dendritic structure with 95% cross sectional and 90% planar Au interfacial area coverages. In sections in which Ge bridged the interface, lattice continuity across the interface was apparent. Epitaxial solidification of the eutectic interface with initial Au thicknesses < 500 A per substrate side produced Au agglomerations thereby reducing the Au planar interfacial area coverage to as little as 30%. The mechanism for Au coalescence was attributed to lateral diffusion of Ge and Au in the liquid phase during solidification. Phonon transmission studies were performed on eutectic interfaces with initial Au thicknesses of 1,000 angstrom, 500 angstrom, and 300 angstrom per substrate side. Phonon imaging of eutectically bonded samples with initial Au thicknesses of 300 angstrom/side revealed reproducible interfacial percent phonon transmissions from 60% to 70%. Line scan phonon imaging verified the results. Phonon propagation TOF spectra distinctly showed the predominant phonon propagation mode was ballistic. This was substantiated by phonon focusing effects apparent in the phonon imaging data. The degree of interface transparency to phonons and resulting phonon propagation modes correlate with the structure of the interface following eutectic solidification. Structural studies of samples with initial Au thickness of 1,000 angstrom/side appear to correspond with the phonon transmission study

Structural and phonon transmission study of Ge-Au-Ge eutectically bonded interfaces

Energy Technology Data Exchange (ETDEWEB)

Knowlton, W.B. [Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Mineral Engineering]|[Lawrence Berkeley Lab., CA (United States). Materials Sciences Div.

1995-07-01

This thesis presents a structural analysis and phonon transparency investigation of the Ge-Au-Ge eutectic bond interface. Interface development was intended to maximize the interfacial ballistic phonon transparency to enhance the detection of the dark matter candidate WIMPs. The process which was developed provides an interface which produces minimal stress, low amounts of impurities, and insures Ge lattice continuity through the interface. For initial Au thicknesses of greater than 1,000 {angstrom} Au per substrate side, eutectic epitaxial growth resulted in a Au dendritic structure with 95% cross sectional and 90% planar Au interfacial area coverages. In sections in which Ge bridged the interface, lattice continuity across the interface was apparent. Epitaxial solidification of the eutectic interface with initial Au thicknesses < 500 A per substrate side produced Au agglomerations thereby reducing the Au planar interfacial area coverage to as little as 30%. The mechanism for Au coalescence was attributed to lateral diffusion of Ge and Au in the liquid phase during solidification. Phonon transmission studies were performed on eutectic interfaces with initial Au thicknesses of 1,000 {angstrom}, 500 {angstrom}, and 300 {angstrom} per substrate side. Phonon imaging of eutectically bonded samples with initial Au thicknesses of 300 {angstrom}/side revealed reproducible interfacial percent phonon transmissions from 60% to 70%. Line scan phonon imaging verified the results. Phonon propagation TOF spectra distinctly showed the predominant phonon propagation mode was ballistic. This was substantiated by phonon focusing effects apparent in the phonon imaging data. The degree of interface transparency to phonons and resulting phonon propagation modes correlate with the structure of the interface following eutectic solidification. Structural studies of samples with initial Au thickness of 1,000 {angstrom}/side appear to correspond with the phonon transmission study.

A novel type heterojunction photodiodes formed junctions of Au/LiZnSnO and LiZnSnO/p-Si in series

Energy Technology Data Exchange (ETDEWEB)

Aydin, H. [Department of Metallurgical and Materials Science, Faculty of Engineering, Tunceli University, Tunceli (Turkey); Tataroğlu, A. [Department of Physics, Faculty of Science, Gazi University, Ankara (Turkey); Al-Ghamdi, Ahmed A. [Department of Physics, Faculty of Science, King Abdulaziz University, Jeddah (Saudi Arabia); Yakuphanoglu, F., E-mail: fyhanoglu@firat.edu.tr [Department of Metallurgical and Materials Science, Faculty of Engineering, Tunceli University, Tunceli (Turkey); Department of Physics, Faculty of Science, King Abdulaziz University, Jeddah (Saudi Arabia); El-Tantawy, Farid [Department of Physics, Faculty of Science, Suez Canal University, Ismailia (Egypt); Farooq, W.A. [Physics and Astronomy Department, College of Science, King Saud University, Riyadh (Saudi Arabia)

2015-03-15

Highlights: • Lithium–zinc–tin–oxide thin films were prepared by sol gel method. • The Au/LiZnSnO/p-Si/Al photodiodes were fabricated using a LZTO layer grown on p-Si. • The photodiodes with Li-doped ZTO interfacial layer exhibited a better device performance. - Abstract: Lithium–zinc–tin–oxide thin films were prepared by sol gel method. The structural and optical properties of the films were investigated. The optical band gaps of the LiZnSnO films were found to be 3.78 eV for 0 at.% Li, 3.77 eV for 1 at.% Li, 3.87 eV for 3 at.% Li and 3.85 eV for 5 at.% Li, respectively. Au/LiZnSnO/p-Si/Al photodiodes were fabricated using a lithium–zinc–tin–oxide (LZTO, Li–Zn–Sn–O) layer grown on p-Si semiconductor. The electrical characteristics of the photodiodes were analyzed by current–voltage, capacitance–voltage and conductance–voltage measurements. The reverse current of the diodes increases with both the increasing illumination intensity and Li content. It was found that the Li-doped ZTO photodiodes exhibited a better device performance than those with an undoped ZTO.

Evaluation of the liver scintigraphy with /sup 99m/Tc-Sn-colloid. II. C Clinical studies by comparison with /sup 198/Au-colloid

Energy Technology Data Exchange (ETDEWEB)

Kimura, K; Nishimura, T; Takeda, H; Furukawa, T [Osaka Univ. (Japan). Faculty of Medicine; Kajiya, Fumihiko

1975-08-01

Clinical significance of the liver scintigraphy with sup(99m)Tc-Sn-colloid was evaluated in comparison with those with /sup 198/Au-colloid. The liver scintigrams with sup(99m)Tc-Sn-colloid and /sup 198/Au-colloid were done in 36 cases of various hepatic diseases and RI accumulation curves in the liver and the spleen, and the blood disapearance curves were also obtained. The conclusions were as follows. The liver scintigrams with sup(99m)Tc-Sn-colloid proved to be more sensitive in the detection of tumors, especially, in the lower margin, left lobe and superficial layers of the liver than those with /sup 198/Au-colloid. In all cases, including normal and cirrhotic subjects, visualizations of the spleen were seen on the scintigrams with sup(99m)Tc-Sn-colloid. In diffuse hepatic diseases, comparing both radiopharmaceuticals, the splenic accumulations were studied qualitatively and quantitatively. As a result, the ratio (spleen/liver) was thought to be useful for the differentiation of diffuse hepatic diseases concerned with splenic function and/or size. It was also shown that sup(99m)Tc-Sn-colloid was useful as a spleen scanning agent. The Tl/2 in the liver accumulation curves with sup(99m)Tc-Sn-colloid were not as clearly differentiated in the various hepatic diseases as those with /sup 198/Au-colloid where those indexes were useful in the evaluation of liver functions.

Origin of low thermal conductivity in SnSe

Science.gov (United States)

Xiao, Yu; Chang, Cheng; Pei, Yanling; Wu, Di; Peng, Kunling; Zhou, Xiaoyuan; Gong, Shengkai; He, Jiaqing; Zhang, Yongsheng; Zeng, Zhi; Zhao, Li-Dong

2016-09-01

We provide direct evidence to understand the origin of low thermal conductivity of SnSe using elastic measurements. Compared to state-of-the-art lead chalcogenides Pb Q (Q =Te , Se, S), SnSe exhibits low values of sound velocity (˜1420 m /s ) , Young's modulus (E ˜27.7 GPa ) , and shear modulus (G ˜9.6 GPa ) , which are ascribed to the extremely weak Sn-Se atomic interactions (or bonds between layers); meanwhile, the deduced average Grüneisen parameter γ of SnSe is as large as ˜3.13, originating from the strong anharmonicity of the bonding arrangement. The calculated phonon mean free path (l ˜ 0.84 nm) at 300 K is comparable to the lattice parameters of SnSe, indicating little room is left for further reduction of the thermal conductivity through introducing nanoscale microstructures and microscale grain boundaries. The low elastic properties indicate that the weak chemical bonding stiffness of SnSe generally causes phonon modes softening which eventually slows down phonon propagation. This work provides insightful data to understand the low lattice thermal conductivity of SnSe.

The crystallographic growth directions of Sn whiskers

International Nuclear Information System (INIS)

Stein, J.; Welzel, U.; Leineweber, A.; Huegel, W.; Mittemeijer, E.J.

2015-01-01

The growth directions of 55 Sn whiskers, i.e. the crystallographic orientation parallel to the whisker-growth axes, were determined using (i) a focused ion beam microscope for the determination of the physical growth angles of the whiskers with respect to a specimen (reference) coordinate system and (ii) an electron backscatter detector in a scanning electron microscope for the determination of the crystallographic orientation of the whiskers. The Sn whiskers were found to grow preferentially along low-index directions of the β-Sn crystal structure. The experimental findings of this study (and most of the results presented in the literature as well) were explained by applying, in a modified way, the Hartman–Perdok concept of periodic bond chains, i.e. chains of strong bonds running uninterruptedly through the structure, to the Sn whisker-growth phenomenon

The Shear Strength and Fracture Behavior of Sn-Ag- xSb Solder Joints with Au/Ni-P/Cu UBM

Science.gov (United States)

Lee, Hwa-Teng; Hu, Shuen-Yuan; Hong, Ting-Fu; Chen, Yin-Fa

2008-06-01

This study investigates the effects of Sb addition on the shear strength and fracture behavior of Sn-Ag-based solders with Au/Ni-P/Cu underbump metallization (UBM) substrates. Sn-3Ag- xSb ternary alloy solder joints were prepared by adding 0 wt.% to 10 wt.% Sb to a Sn-3.5Ag alloy and joining them with Au/Ni-P/Cu UBM substrates. The solder joints were isothermally stored at 150°C for up to 625 h to study their microstructure and interfacial reaction with the UBM. Single-lap shear tests were conducted to evaluate the mechanical properties, thermal resistance, and failure behavior. The results show that UBM effectively suppressed intermetallic compound (IMC) formation and growth during isothermal storage. The Sb addition helped to refine the Ag3Sn compounds, further improving the shear strength and thermal resistance of the solders. The fracture behavior evolved from solder mode toward the mixed mode and finally to the IMC mode with increasing added Sb and isothermal storage time. However, SnSb compounds were found in the solder with 10 wt.% Sb; they may cause mechanical degradation of the solder after long-term isothermal storage.

Evaluation of Die-Attach Bonding Using High-Frequency Ultrasonic Energy for High-Temperature Application

Science.gov (United States)

Lee, Jong-Bum; Aw, Jie-Li; Rhee, Min-Woo

2014-09-01

Room-temperature die-attach bonding using ultrasonic energy was evaluated on Cu/In and Cu/Sn-3Ag metal stacks. The In and Sn-3Ag layers have much lower melting temperatures than the base material (Cu) and can be melted through the heat generated during ultrasonic bonding, forming intermetallic compounds (IMCs). Samples were bonded using different ultrasonic powers, bonding times, and forces and subsequently aged at 300°C for 500 h. After aging, die shear testing was performed and the fracture surfaces were inspected by scanning electron microscopy. Results showed that the shear strength of Cu/In joints reached an upper plateau after 100 h of thermal aging and remained stable with aging time, whereas that of the Cu/Sn-3Ag joints decreased with increasing aging time. η-Cu7In4 and (Cu,Au)11In9 IMCs were observed at the Cu/In joint, while Cu3Sn and (Ag,Cu)3Sn IMCs were found at the Cu/Sn-3Ag joint after reliability testing. As Cu-based IMCs have high melting temperatures, they are highly suitable for use in high-temperature electronics, but can be formed at room temperature using an ultrasonic approach.

Formation of Ag2, Au2 and AgAu particles on MgO(1 0 0): DFT study on the role of support-induced charge transfer in metal-metal interactions

International Nuclear Information System (INIS)

Fuente, Silvia A.; Belelli, Patricia G.; Branda, Maria M.; Ferullo, Ricardo M.; Castellani, Norberto J.

2009-01-01

The formation of Ag 2 , Au 2 and AgAu particles oriented perpendicularly to the MgO(1 0 0) surface was studied using the density functional theory. While the support induces a slight enhancement of the Ag-Ag bond (by 0.3-0.4 eV), the Au-Au bond is strongly enhanced (by 0.8-1.1 eV). Concerning the bimetallic particle, the Ag-Au bond stabilization depends on the relative position of each atom. Thus, in general terms, the strength of the metal-metal bond is determined by the nature of the terminal atom; the bond is stronger in Au-terminal particles. The partial electronic charge transfer to the terminal Au atom and its ability to polarize this charge are responsible for this energetic stabilization.

Bonding properties of FCC-like Au ₄₄ (SR) ₂₈ clusters from X-ray absorption spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Yang, Rui [Department of Chemistry, Dalhousie University, Halifax, NS B3H 4R2, Canada.; Chevrier, Daniel M. [Department of Chemistry, Dalhousie University, Halifax, NS B3H 4R2, Canada.; Zeng, Chenjie [Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213, USA.; Jin, Rongchao [Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213, USA.; Zhang, Peng [Department of Chemistry, Dalhousie University, Halifax, NS B3H 4R2, Canada.

2017-11-01

Thiolate-protected gold clusters with precisely controlled atomic composition have recently emerged as promising candidates for a variety of applications because of their unique optical, electronic, and catalytic properties. The recent discovery of the Au44(SR)28 total structure is considered as an interesting finding in terms of the face-centered cubic (FCC)-like core structure in small gold-thiolate clusters. Herein, the unique bonding properties of Au44(SR)28 is analyzed using temperature-dependent X-ray absorption spectroscopy (XAS) measurements at the Au L3-edge and compared with other FCC-like clusters such as Au36(SR)24 and Au28(SR)20. A negative thermal expansion was detected for the Au–Au bonds of the metal core (the first Au–Au shell) and was interpreted based on the unique Au core structure consisting of the Au4 units. EXAFS fitting results from Au28(SR)20, Au36(SR)24, and Au44(SR)28 show a size-dependent negative thermal expansion behavior in the first Au–Au shell, further highlighting the importance of the Au4 units in determining the Au core bonding properties and shedding light on the growth mechanism of these FCC-like Au clusters.

Novel electrochemical approach to study corrosion mechanism of Al-Au wire-bond pad interconnections

DEFF Research Database (Denmark)

Elisseeva, O. V.; Bruhn, A.; Cerezo, J.

2013-01-01

A gold-aluminium material combination is typically employed as an interconnection for microelectronic devices. One of the reliability risks of such devices is that of corrosion of aluminium bond pads resulting from the galvanic coupling between an aluminium bond pad and a gold wire. The research...... presented in this manuscript focuses on studying bond pad corrosion by selecting an appropriate model system and a dedicated set of electrochemical and analytical experimental tools. Taking into account the complex three-dimensional structure and the small dimensions of Au-Al interconnections (around 50......-100 μm), a dedicated and novel experimental approach was developed. Au-Al covered silicon chips were developed under clean room conditions. Three-dimensional electrodes were mimicked as flat, two-dimensional bond pad model systems, allowing the use of microelectrochemical local probe techniques. Thin...

Improving the mechanical performance of Sn57.6Bi0.4Ag solder joints on Au/Ni/Cu pads during aging and electromigration through the addition of tungsten (W) nanoparticle reinforcement

Energy Technology Data Exchange (ETDEWEB)

Li, Yi, E-mail: yili64-c@my.cityu.edu.hk [Department of Electronic Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong (Hong Kong); Luo, Kaiming; Lim, Adeline B.Y.; Chen, Zhong [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Wu, Fengshun [School of Materials Science and Engineering, Huazhong University of Science and Technology, 1037 Luoyu Road, Wuhan (China); Chan, Y.C. [Department of Electronic Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong (Hong Kong)

2016-07-04

Sn57.6Bi0.4Ag solder has been reinforced successfully through the addition of tungsten (W) nanoparticles at a concentration of 0.5 wt%. With the addition of W nanoparticles, the solder matrix lamellar interphase spacing was reduced by 31.0%. Due to the dispersion of W nanoparticles and the consequently refined microstructure, the mechanical properties of the solder alloy were enhanced, as indicated by a 6.2% improvement in the microhardness. During the reflow of solder on Au/Ni/Cu pads, the entire Au layer dissolved into the molten solder rapidly and a large number of (Au,Ni)(Sn,Bi){sub 4} particles were formed. The fracture path of the as-reflowed joint was within the solder region, showing ductile characteristic, and the shear strength was reinforced by 8.2%, due to the enhanced mechanical properties of the solder. During the subsequent aging process, the Au migrated back towards the interface and a thick layer of interfacial (Au,Ni)(Sn,Bi){sub 4} IMC was formed, leading to the shift of the fracture path to the interfacial IMC region, the transformation to brittle fracture and the deterioration of the strength of the joint, due to Au embrittlement. By adding W nanoparticles, the migration of Au was mitigated and the thickness of the (Au,Ni)(Sn,Bi){sub 4} layer was reduced significantly, which reduced the Au embrittlement-induced deterioration of the strength of the joint. During electromigration, the segregation of the Bi-rich and Sn-rich phases and the accumulation of the (Au,Ni)(Sn,Bi){sub 4} layer at cathode interface were mitigated by the addition of W nanoparticles, which improved the electromigration resistance.

Eutectic and solid-state wafer bonding of silicon with gold

International Nuclear Information System (INIS)

Abouie, Maryam; Liu, Qi; Ivey, Douglas G.

2012-01-01

Highlights: ► Eutectic and solid-state Au-Si bonding are compared for both a-Si and c-Si samples. ► Exchange of a-Si and Au layer was observed in both types of bonded samples. ► Use of c-Si for bonding resulted in formation of craters at the Au/c-Si interface. ► Solid-state Au-Si bonding produces better bonds in terms of microstructure. - Abstract: The simple Au-Si eutectic, which melts at 363 °C, can be used to bond Si wafers. However, faceted craters can form at the Au/Si interface as a result of anisotropic and non-uniform reaction between Au and crystalline silicon (c-Si). These craters may adversely affect active devices on the wafers. Two possible solutions to this problem were investigated in this study. One solution was to use an amorphous silicon layer (a-Si) that was deposited on the c-Si substrate to bond with the Au. The other solution was to use solid-state bonding instead of eutectic bonding, and the wafers were bonded at a temperature (350 °C) below the Au-Si eutectic temperature. The results showed that the a-Si layer prevented the formation of craters and solid-state bonding not only required a lower bonding temperature than eutectic bonding, but also prevented spill out of the solder resulting in strong bonds with high shear strength in comparison with eutectic bonding. Using amorphous silicon, the maximum shear strength for the solid-state Au-Si bond reached 15.2 MPa, whereas for the eutectic Au-Si bond it was 13.2 MPa.

Fabricating a Homogeneously Alloyed AuAg Shell on Au Nanorods to Achieve Strong, Stable, and Tunable Surface Plasmon Resonances

KAUST Repository

Huang, Jianfeng

2015-08-13

Colloidal metal nanocrystals with strong, stable, and tunable localized surface plasmon resonances (SPRs) can be useful in a corrosive environment for many applications including field-enhanced spectroscopies, plasmon-mediated catalysis, etc. Here, a new synthetic strategy is reported that enables the epitaxial growth of a homogeneously alloyed AuAg shell on Au nanorod seeds, circumventing the phase segregation of Au and Ag encountered in conventional synthesis. The resulting core–shell structured bimetallic nanorods (AuNR@AuAg) have well-mixed Au and Ag atoms in their shell without discernible domains. This degree of mixing allows AuNR@AuAg to combine the high stability of Au with the superior plasmonic activity of Ag, thus outperforming seemingly similar nanostructures with monometallic shells (e.g., Ag-coated Au NRs (AuNR@Ag) and Au-coated Au NRs (AuNR@Au)). AuNR@AuAg is comparable to AuNR@Ag in plasmonic activity, but that it is markedly more stable toward oxidative treatment. Specifically, AuNR@AuAg and AuNR@Ag exhibit similarly strong signals in surface-enhanced Raman spectroscopy that are some 30-fold higher than that of AuNR@Au. When incubated with a H2O2 solution (0.5 m), the plasmonic activity of AuNR@Ag immediately and severely decayed, whereas AuNR@AuAg retained its activity intact. Moreover, the longitudinal SPR frequency of AuNR@AuAg can be tuned throughout the red wavelengths (≈620–690 nm) by controlling the thickness of the AuAg alloy shell. The synthetic strategy is versatile to fabricate AuAg alloyed shells on different shaped Au, with prospects for new possibilities in the synthesis and application of plasmonic nanocrystals.

The Type II supernovae 2006V and 2006au: two SN 1987A-like events

DEFF Research Database (Denmark)

Taddia, F.; Stritzinger, M. D.; Sollerman, J.

2012-01-01

1987A. Methods. Optical and near-infrared (NIR) light curves, and optical spectroscopy of SNe 2006V and 2006au are presented. These observations are compared to those of SN 1987A, and are used to estimate properties of their progenitors. Results. Both objects exhibit a slow rise to maximum and light...

Properties of Resistive Hydrogen Sensors as a Function of Additives of 3 D-Metals Introduced in the Volume of Thin Nanocrystalline SnO2 Films

Science.gov (United States)

Sevast'yanov, E. Yu.; Maksimova, N. K.; Potekaev, A. I.; Sergeichenko, N. V.; Chernikov, E. V.; Almaev, A. V.; Kushnarev, B. O.

2017-11-01

Analysis of the results of studying electrical and gas sensitive characteristics of the molecular hydrogen sensors based on thin nanocrystalline SnO2 films coated with dispersed Au layers and containing Au+Ni and Au+Co impurities in the bulk showed that the characteristics of these sensors are more stable under the prolonged exposure to hydrogen in comparison with Au/SnO2:Sb, Au films modified only with gold. It has been found that introduction of the nickel and cobalt additives increases the band bending at the grain boundaries of tin dioxide already in freshly prepared samples, which indicates an increase in the density Ni of the chemisorbed oxygen. It is important that during testing, the band bending eφs at the grain boundaries of tin dioxide additionally slightly increases. It can be assumed that during crystallization of films under thermal annealing, the 3d-metal atoms in the SnO2 volume partially segregate on the surface of microcrystals and form bonds with lattice oxygen, the superstoichiometric tin atoms are formed, and the density Ni increases. If the bonds of oxygen with nickel and cobalt are stronger than those with tin, then, under the prolonged tests, atomic hydrogen will be oxidized not by lattice oxygen, but mainly by the chemisorbed one. In this case, stability of the sensors' characteristics increases.

The effect of noble metal additives on the optimum operating temperature of SnO2 gas sensors

Science.gov (United States)

Mohammad-Yousefi, S.; Rahbarpour, S.; Ghafoorifard, H.

2017-12-01

The effect of Pd and Au additives on gas sensing properties of SnO2 was investigated. SnO2 pallets were fabricated and sintered at 900 °C for 90 minutes. Several nanometer layers of Pd and Au were deposited on separate SnO2 pallets and were intentionally dispersed into the SnO2 pallets by long heat treatment (400 °C for 1 Day). All metal loaded samples showed significant enhancement in response level and optimum operating temperature compare to pure SnO2 gas sensors. The amount of enhancement was strongly dependent on the material and the thickness of deposited metal layer. Studying butanol response showed that increasing the thickness of metal causes the response level to increase. Further thickness increase caused contrary effect and decreased the performance of sensors. Best results were achieved at 10 nm-thick Au and 7 nm-thick Pd. Generally, Pd-SnO2 samples demonstrated better performance than Au-SnO2 ones, however, Au-SnO2 samples were proved to be good candidate to sense reducing gases with lower hydrogen atoms in their formula. Given experimental results were also good evidence of chemical activity of gold and simply confirms the relation between chemical activity and gold particle size. Results were qualitatively described by gas diffusion theory and surface reactions take place on metal particles.The first section in your paper

Novel condensation of Au-centered trigonal prisms in rare-earth-metal-rich tellurides: Er7Au2Te2 and Lu7Au2Te2.

Science.gov (United States)

Gupta, Shalabh; Corbett, John D

2010-07-14

A new monoclinic structure occurs for Er(7)Au(2)Te(2) according to X-ray diffraction analysis of single crystals grown at 1200 degrees C: C2/m, Z = 4, a = 17.8310(9) A, b = 3.9819(5) A, c = 16.9089(9) A, beta = 104.361(4) degrees. The isostructural Lu(7)Au(2)Te(2) also exists according to X-ray powder pattern means, a = 17.536(4) A, b = 3.9719(4) A, c = 16.695(2) A, beta = 104.33(1) degrees. The structure contains zigzag chains of condensed, Au-centered tricapped trigonal prisms (TCTP) of Er along c that also share basal faces along b to generate puckered sheets. Further bi-face-capping Er atoms between these generate the three dimensional network along a, with tellurium in cavities outlined by augmented trigonal prismatic Er polyhedra. Bonding analysis via LMTO-DFT methods reveal very significant Er-Au bonding interactions, as quantified by their energy-weighted Hamilton overlap populations (-ICOHP), approximately 49% of the total for all interactions. These and similar Er-Te contributions sharply contrast with the small Er-Er population, only approximately 14% of the total in spite of the high proportion of Er-Er contacts. The strong polar bonding of Er to the electronegative Au and Te leaves Er relatively oxidized, with many of its 5d states falling above the Fermi level and empty. The contradiction with customary representations of structures that highlight rare-earth metal clusters is manifest. The large Er-Au Hamilton overlap population is in accord with the strong bonding between early and late transition metals first noted by Brewer in 1973. The relationship of this structure to the more distorted orthorhombic (Imm2) structure type of neighboring Dy(7)Ir(2)Te(2) is considered.

Relativity-Induced Bonding Pattern Change in Coinage Metal Dimers M2 (M = Cu, Ag, Au, Rg).

Science.gov (United States)

Li, Wan-Lu; Lu, Jun-Bo; Wang, Zhen-Ling; Hu, Han-Shi; Li, Jun

2018-05-07

The periodic table provides a fundamental protocol for qualitatively classifying and predicting chemical properties based on periodicity. While the periodic law of chemical elements had already been rationalized within the framework of the nonrelativistic description of chemistry with quantum mechanics, this law was later known to be affected significantly by relativity. We here report a systematic theoretical study on the chemical bonding pattern change in the coinage metal dimers (Cu 2 , Ag 2 , Au 2 , Rg 2 ) due to the relativistic effect on the superheavy elements. Unlike the lighter congeners basically demonstrating ns- ns bonding character and a 0 g + ground state, Rg 2 shows unique 6d-6d bonding induced by strong relativity. Because of relativistic spin-orbit (SO) coupling effect in Rg 2 , two nearly degenerate SO states, 0 g + and 2 u , exist as candidate of the ground state. This relativity-induced change of bonding mechanism gives rise to various unique alteration of chemical properties compared with the lighter dimers, including higher intrinsic bond energy, force constant, and nuclear shielding. Our work thus provides a rather simple but clear-cut example, where the chemical bonding picture is significantly changed by relativistic effect, demonstrating the modified periodic law in heavy-element chemistry.

Effect of Surface Finish of Substrate on Mechanical Reliability of in-48SN Solder Joints in Moems Package

OpenAIRE

Koo, Ja-Myeong; Jung, Seung-Boo

2007-01-01

Submitted on behalf of EDA Publishing Association (http://irevues.inist.fr/handle/2042/5920); International audience; Interfacial reactions and shear properties of the In-48Sn (in wt.%) ball grid array (BGA) solder joints after bonding were investigated with four different surface finishes of the substrate over an underlying Cu pad: electroplated Ni/Au (hereafter E-NG), electroless Ni/immersion Au (hereafter ENIG), immersion Ag (hereafter I-Ag) and organic solderability preservative (hereafte...

Atom probe tomography simulations and density functional theory calculations of bonding energies in Cu3Au

KAUST Repository

Boll, Torben; Zhu, Zhiyong; Al-Kassab, Talaat; Schwingenschlö gl, Udo

2012-01-01

In this article the Cu-Au binding energy in Cu3Au is determined by comparing experimental atom probe tomography (APT) results to simulations. The resulting bonding energy is supported by density functional theory calculations. The APT simulations

Development of TES microcalorimeters with Sn absorber for hard x-ray detection

International Nuclear Information System (INIS)

Hatakeyama, Shuichi; Ohno, Masashi; Damayanthi, R.M. Thushara; Takahashi, Hiroyuki

2013-01-01

Superconducting transition edge sensors (TES) are used for high-resolution X-ray spectroscopy. In this study, we have designed a new TES detector using a superconducting tin (Sn) absorber to detect high energy photons over 100 keV. The Sn absorber is coupled to an Ir/Au super-conducting film which is deposited on an ultra-thin SiN membrane (500 nm thick) with a small amount of epoxy post (Stycast 2850FT) by handling with a flip-chip bonding machine. The 241 Am photoelectron peak, the Sn K α and K β X-ray escape peaks are clearly observed. The measured energy resolution is 320 eV FWHM at 59.5 keV and is better than that of HPGe detector. (author)

Effects of interlayer Sn-Sn lone pair interaction on the band gap of bulk and nanosheet SnO

Science.gov (United States)

Umezawa, Naoto; Zhou, Wei

2015-03-01

Effects of interlayer lone-pair interactions on the electronic structure of SnO are firstly explored by the density-functional theory. Our comprehensive study reveals that the band gap of SnO opens as increase in the interlayer Sn-Sn distance. The effect is rationalized by the character of band edges which consists of bonding and anti-bonding states from interlayer lone pair interactions. The band edges for several nanosheets and strained double-layer SnO are estimated. We conclude that the double-layer SnO is a promising material for visible-light driven photocatalyst for hydrogen evolution. This work is supported by the Japan Science and Technology Agency (JST) Precursory Research for Embryonic Science and Technology (PRESTO) program.

Strength and reliability of low temperature transient liquid phase bonded Cu-Sn-Cu interconnects

DEFF Research Database (Denmark)

Brincker, Mads; Söhl, Stefan; Eisele, Ronald

2017-01-01

As power electronic devices have tendencies to operate at higher temperatures and current densities, the demand for reliable and efficient packaging technologies are ever increasing. This paper reports the studies on application of transient liquid phase (TLP) bonding of CuSnCu systems...

Effect of nano Ni additions on the structure and properties of Sn-9Zn and Sn-Zn-3Bi solders in Au/Ni/Cu ball grid array packages

Energy Technology Data Exchange (ETDEWEB)

Gain, Asit Kumar [Department of Electronic Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong (Hong Kong); Chan, Y.C. [Department of Electronic Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong (Hong Kong)], E-mail: eeycchan@cityu.edu.hk; Yung, Winco K.C. [Department of Industrial and Systems Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon (Hong Kong)

2009-05-25

The effect of nano Ni additions in Sn-9Zn and Sn-8Zn-3Bi solders on their interfacial microstructures and shear loads with Au/Ni/Cu pad metallization in ball grid array (BGA) applications were investigated. After the addition of nano Ni powder in Sn-based lead-free solders, there were no significant changes in the interfacial microstructure. But, in the solder region a very fine Zn-rich phase was observed. Also on the fracture surfaces a fine Zn-Ni compound was found. After the addition of nano Ni powder in Sn-based solders, the shear loads were increased due to a refinement of the microstructure and in addition, ductile fracture surfaces were clearly observed. The shear loads of the plain Sn-9Zn and Sn-8Zn-3Bi solders after one reflow cycle were about 1798 g and 2059 g, respectively. After the addition of nano Ni powder, their loads were about 2172 g and 2212 g, respectively, after one reflow cycle and their shear loads after eight reflow cycles were about 2099 g and 2081 g, respectively.

Effect of nano Ni additions on the structure and properties of Sn-9Zn and Sn-Zn-3Bi solders in Au/Ni/Cu ball grid array packages

International Nuclear Information System (INIS)

Gain, Asit Kumar; Chan, Y.C.; Yung, Winco K.C.

2009-01-01

The effect of nano Ni additions in Sn-9Zn and Sn-8Zn-3Bi solders on their interfacial microstructures and shear loads with Au/Ni/Cu pad metallization in ball grid array (BGA) applications were investigated. After the addition of nano Ni powder in Sn-based lead-free solders, there were no significant changes in the interfacial microstructure. But, in the solder region a very fine Zn-rich phase was observed. Also on the fracture surfaces a fine Zn-Ni compound was found. After the addition of nano Ni powder in Sn-based solders, the shear loads were increased due to a refinement of the microstructure and in addition, ductile fracture surfaces were clearly observed. The shear loads of the plain Sn-9Zn and Sn-8Zn-3Bi solders after one reflow cycle were about 1798 g and 2059 g, respectively. After the addition of nano Ni powder, their loads were about 2172 g and 2212 g, respectively, after one reflow cycle and their shear loads after eight reflow cycles were about 2099 g and 2081 g, respectively.

CO Sensing Performance of a Micro Thermoelectric Gas Sensor with AuPtPd/SnO₂ Catalyst and Effects of a Double Catalyst Structure with Pt/α-Al₂O₃.

Science.gov (United States)

Goto, Tomoyo; Itoh, Toshio; Akamatsu, Takafumi; Shin, Woosuck

2015-12-15

The CO sensing properties of a micro thermoelectric gas sensor (micro-TGS) with a double AuPtPd/SnO₂ and Pt/α-Al₂O₃ catalyst were investigated. While several nanometer sized Pt and Pd particles were uniformly dispersed on SnO₂, the Au particles were aggregated as particles measuring >10 nm in diameter. In situ diffuse reflectance Fourier transform Infrared spectroscopy (DRIFT) analysis of the catalyst showed a CO adsorption peak on Pt and Pd, but no clear peak corresponding to the interaction between CO and Au was detected. Up to 200 °C, CO combustion was more temperature dependent than that of H₂, while H₂ combustion was activated by repeated exposure to H₂ gas during the periodic gas test. Selective CO sensing of the micro-TGS against H₂ was attempted using a double catalyst structure with 0.3-30 wt% Pt/α-Al₂O₃ as a counterpart combustion catalyst. The sensor output of the micro-TGS decreased with increasing Pt content in the Pt/α-Al₂O₃ catalyst, by cancelling out the combustion heat from the AuPtPd/SnO₂ catalyst. In addition, the AuPtPd/SnO₂ and 0.3 wt% Pt/α-Al₂O₃ double catalyst sensor showed good and selective CO detection. We therefore demonstrated that our micro-TGS with double catalyst structure is useful for controlling the gas selectivity of CO against H₂.

Atom probe tomography simulations and density functional theory calculations of bonding energies in Cu3Au

KAUST Repository

Boll, Torben

2012-10-01

In this article the Cu-Au binding energy in Cu3Au is determined by comparing experimental atom probe tomography (APT) results to simulations. The resulting bonding energy is supported by density functional theory calculations. The APT simulations are based on the Müller-Schottky equation, which is modified to include different atomic neighborhoods and their characteristic bonds. The local environment is considered up to the fifth next nearest neighbors. To compare the experimental with simulated APT data, the AtomVicinity algorithm, which provides statistical information about the positions of the neighboring atoms, is applied. The quality of this information is influenced by the field evaporation behavior of the different species, which is connected to the bonding energies. © Microscopy Society of America 2012.

Nature of the bonding in the AuNgX (Ng = Ar, Kr, Xe; X = F, Cl, Br, I) molecules. Topological study on electron density and the electron localization function (ELF).

Science.gov (United States)

Makarewicz, Emilia; Gordon, Agnieszka J; Berski, Slawomir

2015-03-19

Topological analysis of the electron localization function (ELF) has been carried out for the AuNgX (Ng = Ar, Kr, Xe; X = F, Cl, Br, I) molecules using the wave function approximated by the CCSD, MP2, and DFT(B3LYP, M062X) methods including zero-order regular approximation (ZORA). In the Ng-F bond, the bonding disynaptic attractor V(Ng,F) is missing; therefore, there are no signs of the covalent binding. The nature of the Au-Ng bond depends on the computational method used. Analysis of the ELF carried out for the AuArF and AuXeF molecules, with the wave function approximated by the CCSD and MP2 methods, shows the V(Au,Ng) attractor possibly corresponding to a partially covalent binding between the gold and noble gas atom. However, its very small basin population (<1e) and a very large value of the variance of the basin population suggest that the Au-Ng bond has a very delocalized character. Such bond nature may be related to the charge shift concept with a resonance of the Au(-+)NgX, Au(+-)NgX hybrids. The weakest Au-Ng bond, in terms of the smallest amount of electron density for the V(Au,Ng) basin, is found for the AuKrF molecule with the CCSD method (0.13e). The MP2 method, however, does not yield any V(Au, Ng) population; hence, the covalent Au-Kr bond is not confirmed. Because the V(Au,Ng) attractor is also not observed with the DFT method, the proper characterization of the Au-Ng bond requires proper description of correlation effects. Additional studies on the Au2 and [AuXe](+) molecules, performed at the CCSD and B3LYP levels, exhibit no V(Au,Au) and V(Au,Xe) bonding basins either.

K2 ZnSn3 Se8 : A Non-Centrosymmetric Zinc Selenidostannate(IV) Featuring Interesting Covalently Bonded [ZnSn3 Se8 ]2- Layer and Exhibiting Intriguing Second Harmonic Generation Activity.

Science.gov (United States)

Zhou, Molin; Jiang, Xingxing; Yang, Yi; Guo, Yangwu; Lin, Zheshuai; Yao, JJiyong; Wu, Yicheng

2017-06-19

Non-centrosymmetric zinc selenidostannate(IV) K 2 ZnSn 3 Se 8 was synthesized. It features interesting covalently bonded [ZnSn 3 Se 8 ] 2- layers with K + cations filling in the interlayer voids. The phonon spectrum was calculated to clarify its structural stability. Based on the X-ray diffraction data along with the Raman spectrum, the major bonding features of the title compound were identified. According to the UV/vis-NIR spectroscopy, K 2 ZnSn 3 Se 8 possesses a typical direct band gap of 2.10 eV, which is in good agreement with the band structure calculations. Moreover, our experimental measurements and detailed theoretical calculations reveal that K 2 ZnSn 3 Se 8 is a new phase-matchable nonlinear optical material with a powder second harmonic generation (SHG) signal about 0.6 times of that of AgGaS 2 . © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structural, elastic, electronic, bonding, and optical properties of BeAZ2 (A = Si, Ge, Sn; Z = P, As) chalcopyrites

International Nuclear Information System (INIS)

Fahad, Shah; Murtaza, G.; Ouahrani, T.; Khenata, R.; Yousaf, Masood; Omran, S.Bin; Mohammad, Saleh

2015-01-01

A first principles density functional theory (DFT) technique is used to study the structural, chemical bonding, electronic and optical properties of BeAZ 2 (A = Si, Ge, Sn; Z = P, As) chalcopyrite materials. The calculated parameters are in good agreement with the available experimental results. The lattice constants and the equilibrium volume increased as we moved from Si to Ge to Sn, whereas the c/a and internal parameters u decreased by shifting the cation from P to As. These compounds are elastically stable. An investigation of the band gap using the WC-GGA, EV-GGA, PBE-GGA and mBJ-metaGGA potentials suggested that BeSiP 2 and BeSiAs 2 are direct band gap compounds, whereas BeGeP 2, BeGeAs 2, BeSnP 2, BeSnAs 2 are indirect band gap compounds. The energy band gaps decreased by changing B from Si to Sn and increased by changing the anion C from P to As. The bonding among the cations and anions is primarily ionic. In the optical properties, the real and imaginary parts of the dielectric functions, reflectivity and optical conductivity have been studied over a wide energy range. - Highlights: • The compounds are studied by FP-LAPW method within mBJ approximation. • All of the studied materials show isotropic behaviour. • All the compounds show direct band gap nature. • Bonding nature is mostly covalent among the studied compounds. • High absorption peaks and reflectivity ensures there utility in optoelectronic devices

Reaction of tin(iv) phthalocyanine dichloride with decamethylmetallocenes (M = CrII and CoII). Strong magnetic coupling of spins in (Cp*2Co+){SnIVCl2(Pc˙3-)}˙-·2C6H4Cl2.

Science.gov (United States)

Konarev, Dmitri V; Troyanov, Sergey I; Shestakov, Alexander F; Yudanova, Evgeniya I; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N

2018-01-23

The reaction of tin(iv) phthalocyanine dichloride {Sn IV Cl 2 (Pc 2- )} with decamethylmetallocenes (Cp* 2 M, M = Co, Cr) has been studied. Decamethylcobaltocene reduces Sn IV Cl 2 (Pc 2- ) to form the (Cp* 2 Co + ){Sn IV Cl 2 (Pc˙ 3- )}˙ - ·2C 6 H 4 Cl 2 (1) complex. The negative charge of {Sn IV Cl 2 (Pc˙ 3- )}˙ - is delocalized over the Pc macrocycle providing the alternation of the C-N(imine) bonds, the appearance of new bands in the NIR range and a strong blue shift of both the Soret and Q-bands in the spectrum of 1. The magnetic moment of 1 is equal to 1.68μ B at 300 K, indicating the contribution of one S = 1/2 spin of the Pc˙ 3- macrocycles. These macrocycles form closely packed double stacks in 1 with effective π-π interactions providing strong antiferromagnetic coupling of spins at a Weiss temperature of -80 K. Decamethylchromocene initially also reduces Sn IV Cl 2 (Pc 2- ) to form the [(Cp* 2 Cr + ){Sn VI Cl 2 (Pc˙ 3- )}˙ - complex but further reaction between the ions is observed. This reaction is accompanied by the substitution of one Cp* ligand of Cp* 2 Cr by chloride anions originating from {Sn IV Cl 2 (Pc˙ 3- )}˙ - to form the complex {(Cp*CrCl 2 )(Sn IV (μ-Cl)(Pc 2- ))}·C 6 H 4 Cl 2 (2) in which the (Cp*CrCl 2 ) and {Sn IV (Pc 2- )} species are bonded through the μ-bridged Cl - anion. According to the DFT calculations, this reaction proceeds via an intermediate [(Cp* 2 CrCl)(SnClPc)] complex.

Strong and weak hydrogen bonds in drug–DNA complexes

Indian Academy of Sciences (India)

The dataset was extracted from the protein data bank (PDB). The analysis was performed with an in-house software, hydrogen bond analysis tool (HBAT). In addition to strong hydrogen bonds such as O−H···O and N−H···O, the ubiquitous presence of weak hydrogen bonds such as C−H···O is implicated in molecular ...

Stable Au-C bonds to the substrate for fullerene-based nanostructures

Czech Academy of Sciences Publication Activity Database

Chutora, Taras; López, Roso Redondo Jesús R.; De La Torre Cerdeño, Bruno; Švec, Martin; Jelínek, Pavel; Vázquez, Héctor

2017-01-01

Roč. 8, č. 1 (2017), s. 1073-1079 ISSN 2190-4286 R&D Projects: GA ČR GA15-19672S Institutional support: RVO:68378271 Keywords : Au-C bonds * density functional theory (DFT) * fullerenes * scanning tunneling microscopy (STM) * sputtering Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.127, year: 2016

Transition from metal-ligand bonding to halogen bonding involving a metal as halogen acceptor a study of Cu, Ag, Au, Pt, and Hg complexes

Science.gov (United States)

Oliveira, Vytor; Cremer, Dieter

2017-08-01

Utilizing all-electron Dirac-exact relativistic calculations with the Normalized Elimination of the Small Component (NESC) method and the local vibrational mode approach, the transition from metal-halide to metal halogen bonding is determined for Au-complexes interacting with halogen-donors. The local stretching force constants of the metal-halogen interactions reveal a smooth transition from weak non-covalent halogen bonding to non-classical 3-center-4-electron bonding and finally covalent metal-halide bonding. The strongest halogen bonds are found for dialkylaurates interacting with Cl2 or FCl. Differing trends in the intrinsic halogen-metal bond strength, the binding energy, and the electrostatic potential are explained.

Bonded Multilayer Laue Lens for focusing hard X-rays

International Nuclear Information System (INIS)

Liu Chian; Conley, R.; Qian, J.; Kewish, C.M.; Macrander, A.T.; Maser, J.; Kang, H.C.; Yan, H.; Stephenson, G.B.

2007-01-01

We have fabricated partial Multilayer Laue Lens (MLL) linear zone plate structures with thousands of alternating WSi 2 and Si layers and various outermost zone widths according to the Fresnel zone plate formula. Using partial MLL structures, we were able to focus hard X-rays to line foci with a width of 30 nm and below. Here, we describe challenges and approaches used to bond these multilayers to achieve line and point focusing. Bonding was done by coating two multilayers with AuSn and heating in a vacuum oven at 280-300 o C. X-ray reflectivity measurements confirmed that there was no change in the multilayers after heating to 350 o C. A bonded MLL was polished to a 5-25 μm wedge without cracking. SEM image analyses found well-positioned multilayers after bonding. These results demonstrate the feasibility of a bonded full MLL for focusing hard X-rays

Structural, elastic, electronic, bonding, and optical properties of BeAZ{sub 2} (A = Si, Ge, Sn; Z = P, As) chalcopyrites

Energy Technology Data Exchange (ETDEWEB)

Fahad, Shah [Department of Physics, Hazara University Mansehra, KPK, Mansehra (Pakistan); Murtaza, G., E-mail: murtaza@icp.edu.pk [Materials Modeling Laboratory, Department of Physics, Islamia College University, Peshawar (Pakistan); Ouahrani, T. [Laboratoire de Physique Théorique, B.P. 230, Université de Tlemcen, Tlemcen 13000 (Algeria); Ecole Préparatoire en Sciences et Techniques, BP 165 R.P., 13000 Tlemcen (Algeria); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, 29000 (Algeria); Yousaf, Masood [Center for Multidimensional Carbon Materials, Institute for Basic Science, Department of Physics, Ulsan National Institute of Science and Technology, Ulsan 689-798 (Korea, Republic of); Omran, S.Bin [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Mohammad, Saleh [Department of Physics, Hazara University Mansehra, KPK, Mansehra (Pakistan)

2015-10-15

A first principles density functional theory (DFT) technique is used to study the structural, chemical bonding, electronic and optical properties of BeAZ{sub 2} (A = Si, Ge, Sn; Z = P, As) chalcopyrite materials. The calculated parameters are in good agreement with the available experimental results. The lattice constants and the equilibrium volume increased as we moved from Si to Ge to Sn, whereas the c/a and internal parameters u decreased by shifting the cation from P to As. These compounds are elastically stable. An investigation of the band gap using the WC-GGA, EV-GGA, PBE-GGA and mBJ-metaGGA potentials suggested that BeSiP{sub 2} and BeSiAs{sub 2} are direct band gap compounds, whereas BeGeP{sub 2,} BeGeAs{sub 2,} BeSnP{sub 2,} BeSnAs{sub 2} are indirect band gap compounds. The energy band gaps decreased by changing B from Si to Sn and increased by changing the anion C from P to As. The bonding among the cations and anions is primarily ionic. In the optical properties, the real and imaginary parts of the dielectric functions, reflectivity and optical conductivity have been studied over a wide energy range. - Highlights: • The compounds are studied by FP-LAPW method within mBJ approximation. • All of the studied materials show isotropic behaviour. • All the compounds show direct band gap nature. • Bonding nature is mostly covalent among the studied compounds. • High absorption peaks and reflectivity ensures there utility in optoelectronic devices.

Au@AuPt nanoparticles embedded in B-doped graphene: A superior electrocatalyst for determination of rutin

Energy Technology Data Exchange (ETDEWEB)

Chen, Xianlan; Yang, Guangming; Feng, Shaoping; Shi, Ling; Huang, Zhaolong [School of Science, Honghe University (China); Key Laboratory of Natural Pharamaceutical & Chemical Biology of Yunnan Province Mengzi, Yunnan 661100 (China); Pan, Haibo [Fujian Key Lab of Medical Instrument & Pharmaceutical Technology, Yishan Campus, Fuzhou University, Fuzhou, Fujian 350002 (China); Liu, Wei, E-mail: liuwei4728@126.com [School of Science, Honghe University (China); Key Laboratory of Natural Pharamaceutical & Chemical Biology of Yunnan Province Mengzi, Yunnan 661100 (China)

2017-04-30

Highlights: • The formation of B-doped graphene (BG) with high content of a total B species use hydrothermal method with B{sub 2}O{sub 3} as reducing agent and boron source. • BG was exfoliated into monolayer nanosheet impregnated by Au@AuPt NPs because B atom creates a net positive charge to facilitate NPs adsorption. • The dispersed carboxyl units of BG can form hydrogen bonding with the phenolic hydroxyl groups of rutin, making more rutin participate in reaction. • Au@AuPt NPs can form charge accumulation or valence change on prominent part of the surface, improving the catalytic effect to rutin. • More electroactive sites were generated by doping B atoms into graphene structures, which act as multidimensional electron transport pathways. - Abstract: A hydrothermal approach was used to prepare B-doped graphene with B{sub 2}O{sub 3} as reductant and boron source. Results reveal that the boron atoms have been successfully embedded into graphene with a high content of a total B species (2.85 at.%). Then, B-doped graphene was exfoliated further into monolayer nanosheet by impregnating Au@AuPt core-shell nanoparticles (Au@AuPt NPs) because boron atom creates a net positive charge, which facilitates Au@AuPt NPs adsorption to form Au@AuPt NPs/B-doped graphene hybrid nanocatalysts. After that, the Au@AuPt NPs/B-doped hybrid suspension was dropped on glassy carbon electrode for sensing rutin. In this way, the dispersed carboxyl units of B-doped graphene can form hydrogen bonding with the phenolic hydroxyl groups of rutin, making rutin enrich easily on modified electrode surface to enhance the electrochemical response. At the same time, its electrochemical mechanism on the modified electrode was elucidated using cyclic voltammetry. It was found that its electrochemical behavior on modified electrode surface was a surface-controlled quasi-reversible process, and the charge transfer coefficient (α) and electron transfer number (n) were 0.296 and 2, respectively

Continuous epitaxial growth of extremely strong Cu6Sn5 textures at liquid-Sn/(111)Cu interface under temperature gradient

Science.gov (United States)

Zhong, Y.; Zhao, N.; Liu, C. Y.; Dong, W.; Qiao, Y. Y.; Wang, Y. P.; Ma, H. T.

2017-11-01

As the diameter of solder interconnects in three-dimensional integrated circuits (3D ICs) downsizes to several microns, how to achieve a uniform microstructure with thousands of interconnects on stacking chips becomes a critical issue in 3D IC manufacturing. We report a promising way for fabricating fully intermetallic interconnects with a regular grain morphology and a strong texture feature by soldering single crystal (111) Cu/Sn/polycrystalline Cu interconnects under the temperature gradient. Continuous epitaxial growth of η-Cu6Sn5 at cold end liquid-Sn/(111)Cu interfaces has been demonstrated. The resultant η-Cu6Sn5 grains show faceted prism textures with an intersecting angle of 60° and highly preferred orientation with their ⟨ 11 2 ¯ 0 ⟩ directions nearly paralleling to the direction of the temperature gradient. These desirable textures are maintained even after soldering for 120 min. The results pave the way for controlling the morphology and orientation of interfacial intermetallics in 3D packaging technologies.

Monoanionic Tin Oligomers Featuring Sn–Sn or Sn–Pb Bonds: Synthesis and Characterization of a Tris(TriheteroarylstannylStannate and -Plumbate

Directory of Open Access Journals (Sweden)

Kornelia Zeckert

2016-06-01

Full Text Available The reaction of the lithium tris(2-pyridylstannate [LiSn(2-py6OtBu3] (py6OtBu = C5H3N-6-OtBu, 1, with the element(II amides E{N(SiMe32}2 (E = Sn, Pb afforded complexes [LiE{Sn(2-py6OtBu3}3] for E = Sn (2 and E = Pb (3, which reveal three Sn–E bonds each. Compounds 2 and 3 have been characterized by solution NMR spectroscopy and X-ray crystallographic studies. Large 1J(119Sn–119/117Sn as well as 1J(207Pb–119/117Sn coupling constants confirm their structural integrity in solution. However, contrary to 2, complex 3 slowly disintegrates in solution to give elemental lead and the hexaheteroarylditin [Sn(2-py6OtBu3]2 (4.

The Type II supernovae 2006V and 2006au

DEFF Research Database (Denmark)

Taddia, F.; Stritzinger, M. D.; Sollerman, J.

2012-01-01

curve evolution similar to that of SN 1987A. At the earliest epochs, SN 2006au also displays an initial dip which we interpret as the signature of the adiabatic cooling phase that ensues shock break-out. SNe 2006V and 2006au are both found to be bluer, hotter and brighter than SN 1987A. Spectra of SNe...

Integral enthalpy of mixing of the liquid ternary Au-Cu-Sn system

International Nuclear Information System (INIS)

Knott, S.; Li, Z.; Mikula, A.

2008-01-01

The integral enthalpy of mixing of the ternary Au-Cu-Sn has been determined with a Calvet type calorimeter at 6 different cross sections at 1273 K. The substitutional solution model of Redlich-Kister-Muggianu was used for a least square fit of the experimental data in order to get an analytical expression for the integral enthalpy of mixing. The ternary extrapolation models of Kohler, Muggianu and Toop were used to calculate the integral enthalpy of mixing and to compare measured and extrapolated values. Additional calculations of the integral enthalpy of mixing using the Chou model have been performed. With the calculated data, the iso-enthalpy lines have been determined using the Redlich-Kister-Muggianu model. A comparison of the data has been made

Electronic structure and electric fields gradients of crystalline Sn(II) and Sn(IV) compounds

International Nuclear Information System (INIS)

Terra, J.; Guenzburger, D.

1991-01-01

The electronic structures of clusters representing crystalline compounds of Sn(II) and Sn(IV) were investigated, employing the first-principles Discrete Variational method and Local Density theory. Densities of states and related parameters were obtained and compared with experimental measurements and with results from band structure calculations. Effects of cluster size and of cluster truncated bonds are discussed. Electric field gradients at the Sn nucleus were calculated; results are analysed in terms of charge distribution and chemical bonding in the crystals. (author)

Mechanical properties of hybrid organic-inorganic CH3NH3BX3 (B = Sn, Pb; X = Br, I perovskites for solar cell absorbers

Directory of Open Access Journals (Sweden)

Jing Feng

2014-08-01

Full Text Available The crystal structures, elastic and anisotropic properties of CH3NH3BX3 (B = Sn, Pb; X = Br, I compounds as solar cell absorber layers are investigated by the first-principles calculations. The type and strength of chemical bond B-X are found to determine the elastic properties. B-X bonds and the organic cations are therefore crucial to the functionalities of such absorbers. The bulk, shear, Young's modulus ranges from 12 to 30 GPa, 3 to 12 GPa, and 15 to 37 GPa, respectively. Moreover, the interaction among organic and inorganic ions would have negligible effect for elastic properties. The B/G and Poisson's ratio show it would have a good ductile ability for extensive deformation as a flexible/stretchable layer on the polymer substrate. The main reason is attributed to the low shear modulus of such perovskites. The anisotropic indices AU, AB AG, A1, A2, and A3 show ABX3 perovskite have very strong anisotropy derived from the elastic constants, chemical bonds, and symmetry.

Effect of Isothermal Aging on the Long-Term Reliability of Fine-Pitch Sn-Ag-Cu and Sn-Ag Solder Interconnects With and Without Board-Side Ni Surface Finish

Science.gov (United States)

Lee, Tae-Kyu; Duh, Jeng-Gong

2014-11-01

The combined effects on long-term reliability of isothermal aging and chemically balanced or unbalanced surface finish have been investigated for fine-pitch ball grid array packages with Sn-3.0Ag-0.5Cu (SAC305) (wt.%) and Sn-3.5Ag (SnAg) (wt.%) solder ball interconnects. Two different printed circuit board surface finishes were selected to compare the effects of chemically balanced and unbalanced structure interconnects with and without board-side Ni surface finish. NiAu/solder/Cu and NiAu/solder/NiAu interconnects were isothermally aged and thermally cycled to evaluate long-term thermal fatigue reliability. Weibull plots of the combined effects of each aging condition and each surface finish revealed lifetime for NiAu/SAC305/Cu was reduced by approximately 40% by aging at 150°C; less degradation was observed for NiAu/SAC305/NiAu. Further reduction of characteristic life-cycle number was observed for NiAu/SnAg/NiAu joints. Microstructure was studied, focusing on its evolution near the board and package-side interfaces. Different mechanisms of aging were apparent under the different joint configurations. Their effects on the fatigue life of solder joints are discussed.

CO Sensing Performance of a Micro Thermoelectric Gas Sensor with AuPtPd/SnO2 Catalyst and Effects of a Double Catalyst Structure with Pt/α-Al2O3

Science.gov (United States)

Goto, Tomoyo; Itoh, Toshio; Akamatsu, Takafumi; Shin, Woosuck

2015-01-01

The CO sensing properties of a micro thermoelectric gas sensor (micro-TGS) with a double AuPtPd/SnO2 and Pt/α-Al2O3 catalyst were investigated. While several nanometer sized Pt and Pd particles were uniformly dispersed on SnO2, the Au particles were aggregated as particles measuring >10 nm in diameter. In situ diffuse reflectance Fourier transform Infrared spectroscopy (DRIFT) analysis of the catalyst showed a CO adsorption peak on Pt and Pd, but no clear peak corresponding to the interaction between CO and Au was detected. Up to 200 °C, CO combustion was more temperature dependent than that of H2, while H2 combustion was activated by repeated exposure to H2 gas during the periodic gas test. Selective CO sensing of the micro-TGS against H2 was attempted using a double catalyst structure with 0.3–30 wt% Pt/α-Al2O3 as a counterpart combustion catalyst. The sensor output of the micro-TGS decreased with increasing Pt content in the Pt/α-Al2O3 catalyst, by cancelling out the combustion heat from the AuPtPd/SnO2 catalyst. In addition, the AuPtPd/SnO2 and 0.3 wt% Pt/α-Al2O3 double catalyst sensor showed good and selective CO detection. We therefore demonstrated that our micro-TGS with double catalyst structure is useful for controlling the gas selectivity of CO against H2. PMID:26694397

Study on liver scintigram using sup(99m)Tc-Sn colloid

International Nuclear Information System (INIS)

Nagase, Katsuya; Maruo, Kuninobu

1975-01-01

First of all, the liver scintigram was taken using 198 Au-colloid in cases of liver diseases, especially cases which seemed to have morphological changes in the liver. Of these cases, in cases which were found to have lesions the liver scintigram was subsequently taken using sup(99m)Tc-Sn colloid. In addition, in order to compare the state of lesions in both liver scintigrams with 198 Au-colloid and sup(99m)Tc-Sn colloid, ultrasonic tomogram was taken at each time. The scintigram using sup(99m)Tc-Sn colloid seemed to more clearly reveal the state of lesions and their sizes in the thin liver regions, especially the right border, the lower border and the left lobe in the liver, compared with 198 Au-colloid scintigram. The lesions in the thick liver tissues, especially the central right lobe, sometimes became unclear using sup(99m)Tc-Sn colloid. Therefore, 198 Au-colloid seemed to be available in these lesions. The scintigram using sup(99m)Tc-Sn colloid was found more useful for the diagnosis of lesions of patients with liver, cirrhosis whom the uptake rate of 198 Au-colloid is poor, compared with 198 Au-colloid scintigram. (Namekawa, K.)

The effect of {sup 60}Co ({gamma}-ray) irradiation on the electrical characteristics of Au/SnO{sub 2}/n-Si (MIS) structures

Energy Technology Data Exchange (ETDEWEB)

Goekcen, M. [Physics Department, Faculty of Arts and Sciences, Gazi University, 06500 Teknikokullar, Ankara (Turkey); Tataroglu, A. [Physics Department, Faculty of Arts and Sciences, Gazi University, 06500 Teknikokullar, Ankara (Turkey)], E-mail: ademt@gazi.edu.tr; Altindal, S.; Buelbuel, M.M. [Physics Department, Faculty of Arts and Sciences, Gazi University, 06500 Teknikokullar, Ankara (Turkey)

2008-01-15

The effect of {sup 60}Co ({gamma}-ray) irradiation on the electrical properties of Au/SnO{sub 2}/n-Si (MIS) structures has been investigated using the capacitance-voltage (C-V) and conductance-voltage (G/{omega}-V) measurements in the frequency range 1 kHz to 1 MHz at room temperature. The MIS structures were exposed to {gamma}-rays at a dose rate of 2.12 kGy/h in water and the range of total dose was 0-500 kGy. It was found that the C-V and G/{omega}-V curves were strongly influenced with both frequency and the presence of the dominant radiation-induced defects, and the series resistance was increased with increasing dose. Also, the radiation-induced threshold voltage shift ({delta}V{sub T}) strongly depended on radiation dose and frequency, and the density of interface states N{sub ss} by Hill-Coleman method decreases with increasing radiation dose.

Role of Au-C Interactions on the Catalytic Activity of Au Nanoparticles Supported on TiC(001) toward Molecular Oxygen Dissociation

International Nuclear Information System (INIS)

Rodriguez, J.; Feria, L.; Jirsak, T.; Takahashi, Y.; Nakamura, K.; Illas, F.

2010-01-01

High-resolution photoemission and density functional calculations on realistic slab surface models were used to study the interaction and subsequent dissociation of O 2 with Au nanoparticles supported on TiC(001). The photoemission results indicate that at 150 K O 2 adsorbs molecularly on the supported gold nanoparticles, and upon heating to temperatures above 200 K the O 2 → 2O reaction takes place with migration of atomic oxygen to the TiC(001) substrate. The addition of Au to TiC(001) substantially enhances the rate of O 2 dissociation at room temperature. The reactivity of Au nanoparticles supported on TiC(001) toward O 2 dissociation is much larger than that of similar nanoparticles supported either on TiO 2 (110) or MgO(001) surfaces, where the cleavage of O-O bonds is very difficult. Density functional calculations carried out on large supercells show that the contact of Au with TiC(001) is essential for charge polarization and an enhancement in the chemical activity of Au. Small two-dimensional particles which expose Au atoms in contact with TiC(001) are the most reactive. While O 2 prefers binding to Au sites, the O atoms interact more strongly with the TiC(001) surface. The oxygen species active during the low-temperature ( 2 . Once atomic O binds to TiC(001), the chemisorption bond is so strong that temperatures well above 400 K are necessary to remove the O adatoms from the TiC(001) substrate by direct reaction with CO. The high reactivity of Au/TiC(001) toward O 2 at low-temperature opens the route for the transformation of alcohols and amines on the supported Au nanoparticles.

The stannylphosphide anion reagent sodium bis(triphenylstannyl) phosphide: synthesis, structural characterization, and reactions with indium, tin, and gold electrophiles.

Science.gov (United States)

Cummins, Christopher C; Huang, Chao; Miller, Tabitha J; Reintinger, Markus W; Stauber, Julia M; Tannou, Isabelle; Tofan, Daniel; Toubaei, Abouzar; Velian, Alexandra; Wu, Gang

2014-04-07

Treatment of P4 with in situ generated [Na][SnPh3] leads to the formation of the sodium monophosphide [Na][P(SnPh3)2] and the Zintl salt [Na]3[P7]. The former was isolated in 46% yield as the crystalline salt [Na(benzo-15-crown-5)][P(SnPh3)2] and used to prepare the homoleptic phosphine P(SnPh3)3, isolated in 67% yield, as well as the indium derivative (XL)2InP(SnPh3)2 (XL = S(CH2)2NMe2), isolated in 84% yield, and the gold complex (Ph3P)AuP(SnPh3)2. The compounds [Na(benzo-15-crown-5)][P(SnPh3)2], P(SnPh3)3, (XL)2InP(SnPh3)2, and (Ph3P)AuP(SnPh3)2 were characterized using multinuclear NMR spectroscopy and X-ray crystallography. The bonding in (Ph3P)AuP(SnPh3)2 was dissected using natural bond orbital (NBO) methods, in response to the observation from the X-ray crystal structure that the dative P:→Au bond is slightly shorter than the shared electron-pair P-Au bond. The bonding in (XL)2InP(SnPh3)2 was also interrogated using (31)P and (13)C solid-state NMR and computational methods. Co-product [Na]3[P7] was isolated in 57% yield as the stannyl heptaphosphide P7(SnPh3)3, following salt metathesis with ClSnPh3. Additionally, we report that treatment of P4 with sodium naphthalenide in dimethoxyethane at 22 °C is a convenient and selective method for the independent synthesis of Zintl ion [Na]3[P7]. The latter was isolated as the silylated heptaphosphide P7(SiMe3)3, in 67% yield, or as the stannyl heptaphosphide P7(SnPh3)3 in 65% yield by salt metathesis with ClSiMe3 or ClSnPh3, respectively.

Cleavage of Sn-C and S-C(alkyl) bonds on an organotin scaffold: synthesis and characterization of a novel organotin-sulfite cluster bearing methyltin- and dimethyltin fragments.

Science.gov (United States)

Shankar, Ravi; Jain, Archana; Kociok-Köhn, Gabriele; Mahon, Mary F; Molloy, Kieran C

2010-05-17

Hydrolysis of the mixed-ligand dimethyltin(ethoxy)ethanesulfonate, [Me(2)Sn(OEt)(OSO(2)Et)](n) (1a) in moist hexane proceeds via disproportionation and partial cleavage of Sn-C and S-C bonds to afford a novel oxo-/hydroxo- organotin cluster of the composition [(Me(2)Sn)(MeSn)(4)(OSO(2)Et)(2)(OH)(4)(O)(2)(SO(3))(2)] (1) bearing both mono- and dimethyltin fragments and in situ generated sulfite (SO(3)(2-)) anion in the structural framework. On the other hand, similar reactions with analogous mixed ligand diorganotin precursors, [R(2)Sn(OR(1))(OSO(2)R(1))](n) (R = n-Bu, R(1) = Et (2a); R = Et, R(1) = Me (3a)), result in the formation of tetranuclear diorganotin clusters, [{(n-Bu(2)Sn)(2)(OH)(OSO(2)Et)}O](2) (2) and [(Et(2)Sn)(4)(OH)(O)(2)(OSO(2)Me)(3)] (3), respectively. The activation of the Sn-C or S-C bond is not observed in these cases. These findings provide a preliminary insight into the unusual reactivity of 1a under hydrolytic conditions.

How Does Amino Acid Ligand Modulate Au Core Structure and Characteristics in Peptide Coated Au Nanocluster?

Science.gov (United States)

Li, Nan; Li, Xu; Zhao, Hongkang; Zhao, Lina

2018-03-01

The atomic structures and the corresponding physicochemical properties of peptide coated Au nanoclusters determine their distinctive biological targeting applications. To learn the modulation of amino acid ligand on the atomic structure and electronic characteristics of coated Au core is the fundamental knowledge for peptide coated Au nanocluster design and construction. Based on our recent coated Au nanocluster configuration study (Nanoscale, 2016, 8, 11454), we built the typically simplified Au13(Cys-Au-Cys) system to more clearly learn the basic modulation information of amino acid ligand on Au core by the density functional theory (DFT) calculations. There are two isomers as ligand adjacent bonding (Iso1) and diagonal bonding (Iso2) to Au13 cores. The geometry optimizations indicate the adjacent bonding Iso1 is more stable than Iso2. More important, the Au13 core of Iso1 distorts much more significantly than that of Iso2 by Cys-Au-Cys bonding through the root-mean-square deviation (RMSD) analysis, which modulate their electronic characteristics in different ways. In addition, the frontier molecular orbital results of Au13(Cys-Au-Cys) isomers confirm that the Au cores mainly determine the blue shifts of Au13(Cys-Au-Cys) systems versus the original Au13 core in their UV-visible absorption spectrum studies. The configuration of Au13 core performs deformation under Cys-Au-Cys ligand modulation to reach new stability with distinct atomic structure and electronic properties, which could be the theory basis for peptide coated AuNCs design and construction.

Novel Sn-Based Contact Structure for GeTe Phase Change Materials.

Science.gov (United States)

Simchi, Hamed; Cooley, Kayla A; Ding, Zelong; Molina, Alex; Mohney, Suzanne E

2018-05-16

Germanium telluride (GeTe) is a phase change material (PCM) that has gained recent attention because of its incorporation as an active material for radio frequency (RF) switches, as well as memory and novel optoelectronic devices. Considering PCM-based RF switches, parasitic resistances from Ohmic contacts can be a limiting factor in device performance. Reduction of the contact resistance ( R c ) is therefore critical for reducing the on-state resistance to meet the requirements of high-frequency RF applications. To engineer the Schottky barrier between the metal contact and GeTe, Sn was tested as an interesting candidate to alter the composition of the semiconductor near its surface, potentially forming a narrow band gap (0.2 eV) SnTe or a graded alloy with SnTe in GeTe. For this purpose, a novel contact stack of Sn/Fe/Au was employed and compared to a conventional Ti/Pt/Au stack. Two different premetallization surface treatments of HCl and deionized (DI) H 2 O were employed to make a Te-rich and Ge-rich interface, respectively. Contact resistance values were extracted using the refined transfer length method. The best results were obtained with DI H 2 O for the Sn-based contacts but HCl treatment for the Ti/Pt/Au contacts. The as-deposited contacts had the R c (ρ c ) of 0.006 Ω·mm (8 × 10 -9 Ω·cm 2 ) for Sn/Fe/Au and 0.010 Ω·mm (3 × 10 -8 Ω·cm 2 ) for Ti/Pt/Au. However, the Sn/Fe/Au contacts were thermally stable, and their resistance decreased further to 0.004 Ω·mm (4 × 10 -9 Ω·cm 2 ) after annealing at 200 °C. In contrast, the contact resistance of the Ti/Pt/Au stack increased to 0.012 Ω·mm (4 × 10 -8 Ω·cm 2 ). Transmission electron microscopy was used to characterize the interfacial reactions between the metals and GeTe. It was found that formation of SnTe at the interface, in addition to Fe diffusion (doping) into GeTe, is likely responsible for the superior performance of Sn/Fe/Au contacts, resulting in one of the lowest reported

Adsorption and oxidation of acetaldehyde on carbon supported Pt, PtSn and PtSn-based trimetallic catalysts by in situ Fourier transform infrared spectroscopy

Science.gov (United States)

Beyhan, Seden; Léger, Jean-Michel; Kadırgan, Figen

2013-11-01

The adsorption and oxidation of acetaldehyde on carbon supported Pt, Pt90Sn10 and Pt80Sn10M10 (M = Ni, Co, Rh, Pd) catalysts have been investigated by using in situ Fourier transform infrared (FTIR) spectroscopy. The result revealed that Pt90Sn10/C catalyst is not very efficient for the conversion of acetaldehyde to CO2 due to the weak adsorption of acetaldehyde in the presence of Sn. However, the addition of a third metal to Pt--Sn facilitates the C-C bond cleavage of acetaldehyde. It seems that acetaldehyde is adsorbed dissociatively on the surface of Pt80Sn10Ni10/C, Pt80Sn10Co10/C, Pt80Sn10Rh10/C catalysts, producing CH3 and CHO adsorbate species, which can be further oxidized to CO2. However, the pathway forming CO2 for Pt80Sn10Pd10/C catalyst mainly originates from the oxidation of CH3CO species. Thus, the presence of third metal in the PtSn catalyst has a strong impact upon the acetaldehyde adsorption behaviour and its reaction products.

Models for mean bonding length, melting point and lattice thermal expansion of nanoparticle materials

International Nuclear Information System (INIS)

Omar, M.S.

2012-01-01

Graphical abstract: Three models are derived to explain the nanoparticles size dependence of mean bonding length, melting temperature and lattice thermal expansion applied on Sn, Si and Au. The following figures are shown as an example for Sn nanoparticles indicates hilly applicable models for nanoparticles radius larger than 3 nm. Highlights: ► A model for a size dependent mean bonding length is derived. ► The size dependent melting point of nanoparticles is modified. ► The bulk model for lattice thermal expansion is successfully used on nanoparticles. -- Abstract: A model, based on the ratio number of surface atoms to that of its internal, is derived to calculate the size dependence of lattice volume of nanoscaled materials. The model is applied to Si, Sn and Au nanoparticles. For Si, that the lattice volume is increases from 20 Å 3 for bulk to 57 Å 3 for a 2 nm size nanocrystals. A model, for calculating melting point of nanoscaled materials, is modified by considering the effect of lattice volume. A good approach of calculating size-dependent melting point begins from the bulk state down to about 2 nm diameter nanoparticle. Both values of lattice volume and melting point obtained for nanosized materials are used to calculate lattice thermal expansion by using a formula applicable for tetrahedral semiconductors. Results for Si, change from 3.7 × 10 −6 K −1 for a bulk crystal down to a minimum value of 0.1 × 10 −6 K −1 for a 6 nm diameter nanoparticle.

Models for mean bonding length, melting point and lattice thermal expansion of nanoparticle materials

Energy Technology Data Exchange (ETDEWEB)

Omar, M.S., E-mail: dr_m_s_omar@yahoo.com [Department of Physics, College of Science, University of Salahaddin-Erbil, Arbil, Kurdistan (Iraq)

2012-11-15

Graphical abstract: Three models are derived to explain the nanoparticles size dependence of mean bonding length, melting temperature and lattice thermal expansion applied on Sn, Si and Au. The following figures are shown as an example for Sn nanoparticles indicates hilly applicable models for nanoparticles radius larger than 3 nm. Highlights: ► A model for a size dependent mean bonding length is derived. ► The size dependent melting point of nanoparticles is modified. ► The bulk model for lattice thermal expansion is successfully used on nanoparticles. -- Abstract: A model, based on the ratio number of surface atoms to that of its internal, is derived to calculate the size dependence of lattice volume of nanoscaled materials. The model is applied to Si, Sn and Au nanoparticles. For Si, that the lattice volume is increases from 20 Å{sup 3} for bulk to 57 Å{sup 3} for a 2 nm size nanocrystals. A model, for calculating melting point of nanoscaled materials, is modified by considering the effect of lattice volume. A good approach of calculating size-dependent melting point begins from the bulk state down to about 2 nm diameter nanoparticle. Both values of lattice volume and melting point obtained for nanosized materials are used to calculate lattice thermal expansion by using a formula applicable for tetrahedral semiconductors. Results for Si, change from 3.7 × 10{sup −6} K{sup −1} for a bulk crystal down to a minimum value of 0.1 × 10{sup −6} K{sup −1} for a 6 nm diameter nanoparticle.

N-Heterocyclic carbenes on close-packed coinage metal surfaces: bis-carbene metal adatom bonding scheme of monolayer films on Au, Ag and Cu.

Science.gov (United States)

Jiang, Li; Zhang, Bodong; Médard, Guillaume; Seitsonen, Ari Paavo; Haag, Felix; Allegretti, Francesco; Reichert, Joachim; Kuster, Bernhard; Barth, Johannes V; Papageorgiou, Anthoula C

2017-12-01

By means of scanning tunnelling microscopy (STM), complementary density functional theory (DFT) and X-ray photoelectron spectroscopy (XPS) we investigate the binding and self-assembly of a saturated molecular layer of model N -heterocyclic carbene (NHC) on Cu(111), Ag(111) and Au(111) surfaces under ultra-high vacuum (UHV) conditions. XPS reveals that at room temperature, coverages up to a monolayer exist, with the molecules engaged in metal carbene bonds. On all three surfaces, we resolve similar arrangements, which can be interpreted only in terms of mononuclear M(NHC) 2 (M = Cu, Ag, Au) complexes, reminiscent of the paired bonding of thiols to surface gold adatoms. Theoretical investigations for the case of Au unravel the charge distribution of a Au(111) surface covered by Au(NHC) 2 and reveal that this is the energetically preferential adsorption configuration.

Tin-phthalocyanine adsorption and diffusion on Cu and Au (111) surfaces: A density functional theory study

Science.gov (United States)

Qin, Dan; Ge, Xu-Jin; Lü, Jing-Tao

2018-05-01

Through density functional theory based calculations, we study the adsorption and diffusion of tin phthalocyanine (SnPc) molecule on Au(111) and Cu(111) surfaces. SnPc has two conformers with Sn pointing to the vacuum (Sn-up) and substrate (Sn-down), respectively. The binding energies of the two conformers with different adsorption sites on the two surfaces, including top, bridge, fcc, hcp, are calculated and compared. It is found that the SnPc molecule binds stronger on Cu(111) surface, with binding energy about 1 eV larger than that on Au(111). Only the bridge and top adsorption sites are stable on Cu(111), while all the four adsorption sites are stable on Au(111), with small diffusion barriers between them. Moreover, the flipping barrier from Sn-up to Sn-down conformer is of the same magnitude on the two metal surfaces. These results are consistent with a recent experiment [Zhang, et al., Angew. Chem., 56, 11769 (2017)], which shows that conformation change from Sn-up to Sn-down on Cu(111) surface can be induced by a C60-functionalized STM tip, while similar change is difficult to realize on Au(111), due to smaller diffusion barrier on Au(111).

Methanol Oxidation on Pt3Sn(111) for Direct Methanol Fuel Cells: Methanol Decomposition.

Science.gov (United States)

Lu, Xiaoqing; Deng, Zhigang; Guo, Chen; Wang, Weili; Wei, Shuxian; Ng, Siu-Pang; Chen, Xiangfeng; Ding, Ning; Guo, Wenyue; Wu, Chi-Man Lawrence

2016-05-18

PtSn alloy, which is a potential material for use in direct methanol fuel cells, can efficiently promote methanol oxidation and alleviate the CO poisoning problem. Herein, methanol decomposition on Pt3Sn(111) was systematically investigated using periodic density functional theory and microkinetic modeling. The geometries and energies of all of the involved species were analyzed, and the decomposition network was mapped out to elaborate the reaction mechanisms. Our results indicated that methanol and formaldehyde were weakly adsorbed, and the other derivatives (CHxOHy, x = 1-3, y = 0-1) were strongly adsorbed and preferred decomposition rather than desorption on Pt3Sn(111). The competitive methanol decomposition started with the initial O-H bond scission followed by successive C-H bond scissions, (i.e., CH3OH → CH3O → CH2O → CHO → CO). The Brønsted-Evans-Polanyi relations and energy barrier decomposition analyses identified the C-H and O-H bond scissions as being more competitive than the C-O bond scission. Microkinetic modeling confirmed that the vast majority of the intermediates and products from methanol decomposition would escape from the Pt3Sn(111) surface at a relatively low temperature, and the coverage of the CO residue decreased with an increase in the temperature and decrease in partial methanol pressure.

Probing the electronic structure and Au—C chemical bonding in AuCn− and AuCnH− (n = 2, 4, and 6) using high-resolution photoelectron spectroscopy

International Nuclear Information System (INIS)

León, Iker; Ruipérez, Fernando; Ugalde, Jesus M.; Wang, Lai-Sheng

2016-01-01

We report a joint photoelectron spectroscopy and theoretical study on AuC 4 − , AuC 6 − , and AuC n H − (n = 2, 4, and 6) using high-resolution photoelectron imaging and ab initio calculations. The ground state of AuC 2 H − , AuC 4 H − , and AuC 6 H − is found to be linear, while that of AuC 4 − and AuC 6 − is bent. All the species are found to be linear in their neutral ground states. The electron affinities (EAs) are measured to be 3.366(1) and 3.593(1) eV for AuC 4 and AuC 6 , respectively. Both bending and stretching frequencies are resolved in the spectra of AuC 4 − and AuC 6 − . High-resolution data of AuC n H − reveal major vibrational progressions in the Au—C stretching and bending modes. AuC 2 H − has a ground state stretching frequency of 445(10) cm −1 and a bending frequency of 260(10) cm −1 ; AuC 4 H − has a ground state stretching frequency of 340(10) cm −1 ; AuC 6 H − has a ground state stretching frequency of 260(10) cm −1 and a bending frequency of 55(10) cm −1 . The EAs are measured to be 1.475(1), 1.778(1), and 1.962(1) eV for AuC 2 H, AuC 4 H, and AuC 6 H, respectively. The strength of the Au—C bond decreases as the number of carbon atoms increases. The current study provides a wealth of electronic structure information about AuC 4 − , AuC 6 − , and AuC n H − (n = 2, 4, and 6) and their corresponding neutrals.

Computational and Empirical Trans-hydrogen Bond Deuterium Isotope Shifts Suggest that N1-N3 A:U Hydrogen Bonds of RNA are Shorter than those of A:T Hydrogen Bonds of DNA

International Nuclear Information System (INIS)

Kim, Yong-Ick; Manalo, Marlon N.; Perez, Lisa M.; LiWang, Andy

2006-01-01

Density functional theory calculations of isolated Watson-Crick A:U and A:T base pairs predict that adenine 13 C2 trans-hydrogen bond deuterium isotope shifts due to isotopic substitution at the pyrimidine H3, 2h Δ 13 C2, are sensitive to the hydrogen-bond distance between the N1 of adenine and the N3 of uracil or thymine, which supports the notion that 2h Δ 13 C2 is sensitive to hydrogen-bond strength. Calculated 2h Δ 13 C2 values at a given N1-N3 distance are the same for isolated A:U and A:T base pairs. Replacing uridine residues in RNA with 5-methyl uridine and substituting deoxythymidines in DNA with deoxyuridines do not statistically shift empirical 2h Δ 13 C2 values. Thus, we show experimentally and computationally that the C7 methyl group of thymine has no measurable affect on 2h Δ 13 C2 values. Furthermore, 2h Δ 13 C2 values of modified and unmodified RNA are more negative than those of modified and unmodified DNA, which supports our hypothesis that RNA hydrogen bonds are stronger than those of DNA. It is also shown here that 2h Δ 13 C2 is context dependent and that this dependence is similar for RNA and DNA

Development of Au-Ge based candidate alloys as an alternative to high-lead content solders

DEFF Research Database (Denmark)

Chidambaram, Vivek; Hald, John; Hattel, Jesper Henri

2010-01-01

Au-Ge based candidate alloys have been proposed as an alternative to high-lead content solders that are currently being used for high-temperature applications. The changes in microstructure and microhardness associated with the addition of low melting point metals namely In, Sb and Sn to the Au......-Ge-In and Au-Ge-Sn combinations was determined to be the classic solid solution strengthening. The Au-Ge-Sb combination was primarily strengthened by the refined (Ge) dispersed phase. The aging temperature had a significant influence on the microhardness in the case of the Au-Ge-Sn candidate alloy...

The synthesis and properties of some organometallic compounds containing group IV (Ge, Sn)-group II (Zn, Cd) metal---metal bonds

NARCIS (Netherlands)

Des Tombe, F.J.A.; Kerk, G.J.M. van der; Creemers, H.M.J.C.; Carey, N.A.D.; Noltes, J.G.

1972-01-01

The reactions of triphenylgermane and triphenyltin hydride with coordinatively saturated organozinc or organocadmium compounds give organometallic complexes containing Group IV (Ge, Sn)-Group II(Zn, Cd) metal---metal bonds. The 2,2′-bipyridine complexes show solvent-dependent charge-transfer

Carbon-sulfur bond formation by reductive elimination of gold(iii) thiolates.

Science.gov (United States)

Currie, Lucy; Rocchigiani, Luca; Hughes, David L; Bochmann, Manfred

2018-04-10

Whereas the reaction of the gold(iii) pincer complex (C^N^C)AuCl with 1-adamantyl thiol (AdSH) in the presence of base affords (C^N^C)AuSAd, the same reaction in the absence of base leads to formation of aryl thioethers as the products of reductive elimination of the Au-C and Au-S ligands (C^N^C = dianion of 2-6-diphenylpyridine or 2-6-diphenylpyrazine). Although high chemical stability is usually taken as a characteristic of pincer complexes, results show that thiols are capable of cleaving one of the pincer Au-C bonds. This reaction is not simply a function of S-H acidity, since no cleavage takes place with other more acidic X-H compounds, such as carbazole, amides, phenols and malonates. The reductive C-S elimination follows a second-order rate law, -d[1a]/dt = k[1a][AdSH]. Reductive elimination is enabled by displacement of the N-donor by thiol; this provides the conformational flexibility necessary for C-S bond formation to occur. Alternatively, reductive C-S bond formation can be induced by reaction of pre-formed thiolates (C^N^C)AuSR with a strong Brønsted acid, followed by addition of SMe2 as base. On the other hand, treatment of (C^N^C)AuR (R = Me, aryl, alkynyl) with thiols under similar conditions leads to selective C-C rather than C-S bond formation. The reaction of (C^N^C)AuSAd with H+ in the absence of a donor ligand affords the thiolato-bridged complex [{(C^N-CH)Au(μ-SAd)}2]2+ which was crystallographically characterised.

Supramolecular Assembly of Gold Nanoparticles in PS-b-P2VP Diblock Copolymers via Hydrogen Bonding

Science.gov (United States)

Jang, Se Gyu; Hawker, Craig J.; Kramer, Edward J.

2011-03-01

We report a simple route to control the spatial distribution of Au nanoparticles (Au-NPs) in PS- b -P2VP diblock copolymers using hydrogen bonding between P2VP and the hydroxyl-containing (PI-OH) units in PS- b -PIOH thiol-terminated ligands on Au-NP. End-functional thiol ligands of poly(styrene- b -1,2&3,4-isoprene-SH) are synthesized by anionic polymerization. After synthesis of Au-NPs, the inner PI block is hydroxylated by hydroboration and the resulting micelle-like Au-NPs consist of a hydrophobic PS outer brush and a hydrophilic inner PI-OH block. The influence of the hydroxyl groups is significant with strong segregation being observed to the PS/P2VP interface and then to the P2VP domain of lamellar-forming PS-b-P2VP diblock copolymers as the length of the PI-OH block is increased. The strong hydrogen bonding between nanoparticle block copolymer ligands and the P2VP block allows the Au-NPs to be incorporated within the P2VP domain to high Au--NP volume fractions ϕp without macrophase separation, driving transitions from lamellar to bicontinuous morphologies as ϕp increases.

Unexpected Au Alloying in Tailoring In-Doped SnTe Nanostructures with Gold Nanoparticles

Directory of Open Access Journals (Sweden)

Samuel Atherton

2017-03-01

Full Text Available Materials with strong spin-orbit interaction and superconductivity are candidates for topological superconductors that may host Majorana fermions (MFs at the edges/surfaces/vortex cores. Bulk-superconducting carrier-doped topological crystalline insulator, indium-doped tin telluride (In-SnTe is one of the promising materials. Robust superconductivity of In-SnTe nanostructures has been demonstrated recently. Intriguingly, not only 3-dimensional (3D nanostructures but also ultra-thin quasi-2D and quasi-1D systems can be grown by the vapor transport method. In particular, nanostructures with a controlled dimension will give us a chance to understand the dimensionality and the quantum confinement effects on the superconductivity of the In-SnTe and may help us work on braiding MFs in various dimensional systems for future topological quantum computation technology. With this in mind, we employed gold nanoparticles (GNPs with well-identified sizes to tailor In-SnTe nanostructures grown by vapor transport. However, we could not see clear evidence that the presence of the GNPs is necessary or sufficient to control the size of the nanostructures. Nevertheless, it should be noted that a weak correlation between the diameter of GNPs and the dimensions of the smallest nanostructures has been found so far. To our surprise, the ones grown under the vapor–liquid–solid mechanism, with the use of the GNPs, contained gold that is widely and inhomogeneously distributed over the whole body.

Bond length contraction in Au nanocrystals formed by ion implantation into thin SiO2

International Nuclear Information System (INIS)

Kluth, P.; Johannessen, B.; Giraud, V.; Cheung, A.; Glover, C.J.; Azevedo, G. de M; Foran, G.J.; Ridgway, M.C.

2004-01-01

Au nanocrystals (NCs) fabricated by ion implantation into thin SiO 2 and annealing were investigated by means of extended x-ray absorption fine structure (EXAFS) spectroscopy and transmission electron microscopy. A bond length contraction was observed and can be explained by surface tension effects in a simple liquid-drop model. Such results are consistent with previous reports on nonembedded NCs implying a negligible influence of the SiO 2 matrix. Cumulant analysis of the EXAFS data suggests surface reconstruction or relaxation involving a further shortened bond length. A deviation from the octahedral closed shell structure is apparent for NCs of size 25 A

Detection of DNA hybridization based on SnO2 nanomaterial enhanced fluorescence

International Nuclear Information System (INIS)

Gu Cuiping; Huang Jiarui; Ni Ning; Li Minqiang; Liu Jinhuai

2008-01-01

In this paper, enhanced fluorescence emissions were firstly investigated based on SnO 2 nanomaterial, and its application in the detection of DNA hybridization was also demonstrated. The microarray of SnO 2 nanomaterial was fabricated by the vapour phase transport method catalyzed by patterned Au nanoparticles on a silicon substrate. A probe DNA was immobilized on the substrate with patterned SnO 2 nanomaterial, respectively, by covalent and non-covalent linking schemes. When a fluorophore labelled target DNA was hybridized with a probe DNA on the substrate, fluorescence emissions were only observed on the surface of SnO 2 nanomaterial, which indicated the property of enhancing fluorescence signals from the SnO 2 nanomaterial. By comparing the different fluorescence images from covalent and non-covalent linking schemes, the covalent method was confirmed to be more effective for immobilizing a probe DNA. With the combined use of SnO 2 nanomaterial and the covalent linking scheme, the target DNA could be detected at a very low concentration of 10 fM. And the stability of SnO 2 nanomaterial under the experimental conditions was also compared with silicon nanowires. The findings strongly suggested that SnO 2 nanomaterial could be extensively applied in detections of biological samples with enhancing fluorescence property and high stability

Density functional theory studies of the adsorption of ethylene and oxygen on Pt(111) and Pt3Sn(111)

DEFF Research Database (Denmark)

Watwe, R.M.; Cortright, R.D.; Mavrikakis, Manos

2001-01-01

Density functional theory, employing periodic slab calculations, was used to investigate the interactions of ethylene and oxygen with Pt(111) and Pt3Sn(111). The predicted energetics and structures of adsorbed species on Pt(111) are in good agreement with experimental data. The binding energies...... more than adsorption on two-fold and one-fold sites. Oxygen atoms bond as strongly on Pt3Sn(111) as on Pt(111), and these atoms prefer to adsorb near Sn atoms on the surface. The addition of Sn to Pt(111) leads to a surface heterogeneity, wherein ethylidyne species prefer to adsorb away from Sn atoms...

Bonding Properties of a Novel Inorganometallic Complex, Ru(SnPh(3))(2)(CO)(2)(iPr-DAB) (iPr-DAB = N,N'-Diisopropyl-1,4-diaza-1,3-butadiene), and its Stable Radical-Anion, Studied by UV-Vis, IR, and EPR Spectroscopy, (Spectro-) Electrochemistry, and Density Functional Calculations.

Science.gov (United States)

Aarnts, Maxim P.; Wilms, Maikel P.; Peelen, Karin; Fraanje, Jan; Goubitz, Kees; Hartl, Frantisek; Stufkens, Derk J.; Baerends, Evert Jan; Vlcek, Antonín

1996-09-11

Ru(SnPh(3))(2)(CO)(2)(iPr-DAB) was synthesized and characterized by UV-vis, IR, (1)H NMR, (13)C NMR, (119)Sn NMR, and mass (FAB(+)) spectroscopies and by single-crystal X-ray diffraction, which proved the presence of a nearly linear Sn-Ru-Sn unit. Crystals of Ru(SnPh(3))(2)(CO)(2)(iPr-DAB).3.5C(6)H(6) form in the triclinic space group P&onemacr; in a unit cell of dimensions a = 11.662(6) Å, b = 13.902(3) Å, c = 19.643(2) Å, alpha = 71.24(2) degrees, beta = 86.91(4) degrees, gamma = 77.89(3) degrees, and V = 2946(3) Å(3). One-electron reduction of Ru(SnPh(3))(2)(CO)(2)(iPr-DAB) produces the stable radical-anion [Ru(SnPh(3))(2)(CO)(2)(iPr-DAB)](*-) that was characterized by IR, and UV-vis spectroelectrochemistry. Its EPR spectrum shows a signal at g = 1.9960 with well resolved Sn, Ru, and iPr-DAB (H, N) hyperfine couplings. DFT-MO calculations on the model compound Ru(SnH(3))(2)(CO)(2)(H-DAB) reveal that the HOMO is mainly of sigma(Sn-Ru-Sn) character mixed strongly with the lowest pi orbital of the H-DAB ligand. The LUMO (SOMO in the reduced complex) should be viewed as predominantly pi(H-DAB) with an admixture of the sigma(Sn-Ru-Sn) orbital. Accordingly, the lowest-energy absorption band of the neutral species will mainly belong to the sigma(Sn-Ru-Sn)-->pi(iPr-DAB) charge transfer transition. The intrinsic strength of the Ru-Sn bond and the delocalized character of the three-center four-electron Sn-Ru-Sn sigma-bond account for the inherent stability of the radical anion.

Bonding and orientation of 1,4-benzenedimethanethiol on Au(111) prepared from solution and from gas phase

International Nuclear Information System (INIS)

Pasquali, L; Terzi, F; Zanardi, C; Seeber, R; Paolicelli, G; Mahne, N; Nannarone, S

2007-01-01

The orientation and bonding of 1,4-benzenedimethanethiol molecules on Au(111) is studied by means of x-ray and ultraviolet (UV) photoemission, x-ray absorption and metastable deexcitation spectroscopy. The organic films are prepared both from solution and by exposing the clean substrate to the vapours of the substance in an evacuated environment. This leads to two different growth modes: when self-assembled monolayers (SAMs) are prepared from solution, the molecules tend to form a bilayer film with the molecules standing upright and with the molecular axis forming an angle of about 30 0 with respect to the substrate normal; when growth is carried out from the gas phase, the molecules tend to assume at the earliest stages of exposure a flat-lying configuration, with both sulfur end-groups bonding to Au; at increasing exposure the surface coverage presents a saturation and the chemisorbed molecules tend to assume an upright arrangement

α-Eleostearic acid-containing triglycerides for a continuous assay to determine lipase sn-1 and sn-3 regio-preference.

Science.gov (United States)

El Alaoui, Meddy; Soulère, Laurent; Noiriel, Alexandre; Queneau, Yves; Abousalham, Abdelkarim

2017-08-01

Lipases are essentially described as sn-1 and sn-3 regio-selective. Actually few methods are available to measure this lipase regio-selectivity, moreover they require chiral chromatography analysis or specific derivations which are discontinuous and time consuming. In this study we describe a new, convenient, sensitive and continuous spectrophotometric method to screen lipases regio-selectivity using synthetic triglycerides (TG) containing α-eleostearic acid (9Z, 11E, 13E-octadecatrienoic acid) either at the sn-1 position [1-α-eleostearoyl-2,3-octadecyl-sn-glycerol (sn-EOO)] or at the sn-3 position [1,2-octadecyl-3-α-eleostearoyl-sn-glycerol (sn-OOE)] and coated onto the wells of microtiter plates. A non-hydrolysable ether bond, with a non UV-absorbing alkyl chain, was introduced at the other sn positions to prevent acyl chain migration during TG synthesis or lipolysis. The synthesis of TG containing α-eleostearic acid was performed from S-glycidol in six steps to obtain sn-EOO and in five steps to sn-OOE. The α-eleostearic acid conjugated triene constitutes an intrinsic chromophore and, consequently, confers the strong UV absorption properties of this free fatty acid as well as of the TG harboring it. The lipase activity on coated sn-EOO or sn-OOE was measured by the increase in the absorbance at 272nm due to the transition of α-eleostearic acid from the adsorbed to the soluble state. Human and porcine pancreatic lipases, guinea pig pancreatic lipase related protein 2, Thermomyces lanuginosus lipase, Candida antarctica lipase A and Candida antarctica lipase B were all used to validate the assay. This continuous high-throughput screening method could determine directly without any processes after lipolysis the regio-selectivity of various lipases. Copyright © 2017 Elsevier B.V. All rights reserved.

Ethanol electrooxidation on Pt-Sn and Pt-Sn-W bulk alloys

Energy Technology Data Exchange (ETDEWEB)

Anjos, D.M. dos; Hahn, F.; Leger, J.M.; Kokoh, K.B. [Universite de Poitiers, Poitiers Cedex (France). Centre National de la Recherche Scientifique (CNRS). Equipe Electrocatalyse; Tremiliosi-Filho, G. [Universidade de Sao Paulo (USP), Sao Carlos, SP (Brazil). Inst. de Quimica

2008-07-01

Ethanol oxidation has been studied on Pt-Sn and Pt-Sn-W electrodes prepared in an arc-melting furnace. Different electrochemical techniques like cyclic voltammetry and chronoamperometry were used to evaluate the catalytic activity of these materials. The electro-oxidation process was also investigated by in situ infrared reflectance spectroscopy in order to determine adsorbed intermediates and reaction products. Experimental results indicated that Pt-Sn and Pt-Sn-W alloys are able to oxidize ethanol mainly to acetaldehyde and acetic acid. Adsorbed CO was also detected, demonstrating the viability of splitting the C-C bond in the ethanol molecule during the oxidation process. The adsorbed CO was further oxidized to CO{sub 2}.This reaction product was clearly detected by SNIFTIRS. Pt-Sn-W catalyst showed a better electrochemical performance than Pt-Sn that, in it turn, is better than Pt-alone. (author)

Formation of Au nano-patterns on various substrates using simplified nano-transfer printing method

Science.gov (United States)

Kim, Jong-Woo; Yang, Ki-Yeon; Hong, Sung-Hoon; Lee, Heon

2008-06-01

For future device applications, fabrication of the metal nano-patterns on various substrates, such as Si wafer, non-planar glass lens and flexible plastic films become important. Among various nano-patterning technologies, nano-transfer print method is one of the simplest techniques to fabricate metal nano-patterns. In nano-transfer printing process, thin Au layer is deposited on flexible PDMS mold, containing surface protrusion patterns, and the Au layer is transferred from PDMS mold to various substrates due to the difference of bonding strength of Au layer to PDMS mold and to the substrate. For effective transfer of Au layer, self-assembled monolayer, which has strong bonding to Au, is deposited on the substrate as a glue layer. In this study, complicated SAM layer coating process was replaced to simple UV/ozone treatment, which can activates the surface and form the -OH radicals. Using simple UV/ozone treatments on both Au and substrate, Au nano-pattern can be successfully transferred to as large as 6 in. diameter Si wafer, without SAM coating process. High fidelity transfer of Au nano-patterns to non-planar glass lens and flexible PET film was also demonstrated.

Electronic structure and isomer shifts of Sn halides

International Nuclear Information System (INIS)

Terra, J.; Guenzburger, D.

1988-01-01

The all-electron first-principles Discrete Variational method was employed to study the electronic structure of SnF 4 , SnCl 4 , SnBr 4 and SnI 4 . Values of the electronic density at the Sn nucleus were derived and related to 119 Sn Isomer Shifts to obtain the nuclear constant Δ 2 >. Differences in values of ρ(o) area discussed in terms of the chemical bonding between Sn and halogen atoms. (author) [pt

[Effect of TiO2-SiO2-SnOx film with different firing temperatures on bond strength of low-fusing dental porcelain to pure titanium].

Science.gov (United States)

Zhang, Zichuan; Zhang, Pei

2015-07-01

To evaluate the influence of TiO(2)-SiO(2)-SnOx nano-coatings with different firing temperatures on the bond strength of low-fusing dental porcelain to pure titanium. The surface of pure titanium was coated uniformly with TiO(2)-SiO(2)-SnOx nano-coatings by solution-gelatin (Sol-Gel) technology and then fired at 300 °C (group A) or 750 °C (group B) for 1 h. The specimens without any coatings were the control group (group C). There were 10 specimens in each group. Dental porcelain was sintered on the surface of titanium specimens. Surface roughness and contact angle of the coatings were also detected. The titanium-porcelain bond strength was investigated according to YY 0621-2008 standards using three-point flexure bond test. The phase composition of the TiO(2)-SiO(2)-SnOx nano-coatings was characterized by X-ray diffraction(XRD). The interface of titanium-porcelain and TiO(2)-SiO(2)-SnOx nano-coatings were observed using scanning electron microscope (SEM). No rutile phase was found in these specimens of group A and group B. The surface roughness of group A, B, C was (0.97 ± 0.06), (0.99 ± 0.03), (0.96 ± 0.07) µm, respectively. No significant difference was found among the three groups. Compared with that of group C (64.37° ± 3.01°), contact angles detected in group A (52.04° ± 3.15°) and group B (85.27° ± 4.17°) were significantly different (P porcelain in group A [(35.66 ± 2.65) MPa] was significantly increased compared with those in group B [(26.18 ± 2.22) MPa] and group C [(31.66 ± 3.52) MPa]. SEM photomicrographs of titanium-porcelain interface morphology of the specimens before porcelain sintering showed that TiO(2)-SiO(2)-SnOx nano-coatings in group A were compact and homogeneous with petty cracks and those in group B was loose and arranged disorderly. TiO(2)-SiO(2)-SnOx nano-coating fired at 300 °C is significantly effective in improving the titanium-porcelain bond strength.

Local atomic structure inheritance in Ag50Sn50 melt

International Nuclear Information System (INIS)

Bai, Yanwen; Bian, Xiufang; Qin, Jingyu; Hu, Lina; Yang, Jianfei; Zhang, Kai; Zhao, Xiaolin; Yang, Chuncheng; Zhang, Shuo; Huang, Yuying

2014-01-01

Local structure inheritance signatures were observed during the alloying process of the Ag 50 Sn 50 melt, using high-temperature X-ray diffraction and ab initio molecular dynamics simulations. The coordination number N m around Ag atom is similar in the alloy and in pure Ag melts (N m  ∼ 10), while, during the alloying process, the local structure around Sn atoms rearranges. Sn-Sn covalent bonds were substituted by Ag-Sn chemical bonds, and the total coordination number around Sn increases by about 70% as compared with those in the pure Sn melt. Changes in the electronic structure of the alloy have been studied by Ag and Sn K-edge X-ray absorption spectroscopy, as well as by calculations of the partial density of states. We propose that a leading mechanism for local structure inheritance in Ag 50 Sn 50 is due to s-p dehybridization of Sn and to the interplay between Sn-s and Ag-d electrons

Organotin(IV Derivatives of 2-Acetylpyridine-N(4-Phenylthiosemicarbazone, HAP4P, and 2-Hydroxyacetophenone-N(4-Phenylthiosemicarbazone, H2DAP4P: Crystal and Molecular Structure of [SnMe2(DAP4P] and [SnBu2(DAP4P

Directory of Open Access Journals (Sweden)

Sousa Gerimário F. de

2001-01-01

Full Text Available The reactions of 2-acetylpyridine-N(4-phenylthiosemicarbazone, HAP4P, and 2-hydroxyacetophenone-N(4-phenylthiosemicarbazone, H2DAP4P, with R4-mSnXm (m = 2, 3; R = Me, nBu, Ph and X = Cl, Br led to the formation of hexa- and penta-coordinated organotin(IV complexes, which were studied by microanalysis, IR, ¹H-NMR and Mössbauer spectroscopies. The molecular structures of [SnMe2(DAP4P] and [Sn nBu2(DAP4P] were determined by single-crystal X-ray diffraction studies. In the compounds [SnClMe2(AP4P] and [SnBrMe2(AP4P], the deprotonated ligand AP4P- is N,N,S-bonded to the Sn(IV atoms, which exhibit strongly distorted octahedral coordination. The structures of [SnMe2(DAP4P] and [Sn nBu2(DAP4P] revealed that the DAP4P2- anion acts as a O,N,S-tridentate ligand. In these cases, the Sn(IV atoms adopt a strongly distorted trigonal bipyramidal configuration where the azomethine N and the two C atoms are on the equatorial plane while the O and the S atoms occupy the axial positions.

The behaviour of the elements Ni, Co, Cu, Pb, Zn, Au, Ag, Mo, Sn, W and U in the magmatic, hydrothermal, sedimentary and weathering environments

International Nuclear Information System (INIS)

Anderson, J.R.

1978-01-01

In the last two decades much has been published on the behaviour of certain elements in the magmatic, hydrothermal, sedimentary and weathering environments, but the information is scattered throughout the literature. This situation prompted the present study on the elements Ni, Co, Cu, Pb, Zn, Au, Ag, Mo, Sn, W and U. The behaviour of the elements Ni, Cu, Pb, Zn, Au, Sn, W and U has been studied experimentally in some depth. Ag has been moderately studied, but there is very little information about Co and Mo. Studies on the complexes formed by the elements within the hydrothermal and aqueous environment are often inconclusive and controversial, but conclusions are drawn as to the more likely complexes formed. A genetic classification of ore deposits is used as a framework for the discussion. The source of the elements is regarded as being the mantle, and therefore discussion on other possible sources is beyond the scope of this dissertation. The crystal chemistry and geochemistry of the elements are presented and the essay concludes with a discussion on the elements within their depositional environments

Hirshfeld atom refinement for modelling strong hydrogen bonds.

Science.gov (United States)

Woińska, Magdalena; Jayatilaka, Dylan; Spackman, Mark A; Edwards, Alison J; Dominiak, Paulina M; Woźniak, Krzysztof; Nishibori, Eiji; Sugimoto, Kunihisa; Grabowsky, Simon

2014-09-01

High-resolution low-temperature synchrotron X-ray diffraction data of the salt L-phenylalaninium hydrogen maleate are used to test the new automated iterative Hirshfeld atom refinement (HAR) procedure for the modelling of strong hydrogen bonds. The HAR models used present the first examples of Z' > 1 treatments in the framework of wavefunction-based refinement methods. L-Phenylalaninium hydrogen maleate exhibits several hydrogen bonds in its crystal structure, of which the shortest and the most challenging to model is the O-H...O intramolecular hydrogen bond present in the hydrogen maleate anion (O...O distance is about 2.41 Å). In particular, the reconstruction of the electron density in the hydrogen maleate moiety and the determination of hydrogen-atom properties [positions, bond distances and anisotropic displacement parameters (ADPs)] are the focus of the study. For comparison to the HAR results, different spherical (independent atom model, IAM) and aspherical (free multipole model, MM; transferable aspherical atom model, TAAM) X-ray refinement techniques as well as results from a low-temperature neutron-diffraction experiment are employed. Hydrogen-atom ADPs are furthermore compared to those derived from a TLS/rigid-body (SHADE) treatment of the X-ray structures. The reference neutron-diffraction experiment reveals a truly symmetric hydrogen bond in the hydrogen maleate anion. Only with HAR is it possible to freely refine hydrogen-atom positions and ADPs from the X-ray data, which leads to the best electron-density model and the closest agreement with the structural parameters derived from the neutron-diffraction experiment, e.g. the symmetric hydrogen position can be reproduced. The multipole-based refinement techniques (MM and TAAM) yield slightly asymmetric positions, whereas the IAM yields a significantly asymmetric position.

Spectroelectrochemical Study of Carbon Monoxide and Ethanol Oxidation on Pt/C, PtSn(3:1/C and PtSn(1:1/C Catalysts

Directory of Open Access Journals (Sweden)

Rubén Rizo

2016-09-01

Full Text Available PtSn-based catalysts are one of the most active materials toward that contribute ethanol oxidation reaction (EOR. In order to gain a better understanding of the Sn influence on the carbon monoxide (principal catalyst poison and ethanol oxidation reactions in acidic media, a systematic spectroelectrochemical study was carried out. With this end, carbon-supported PtSnx (x = 0, 1/3 and 1 materials were synthesized and employed as anodic catalysts for both reactions. In situ Fourier transform infrared spectroscopy (FTIRS and differential electrochemical mass spectrometry (DEMS indicate that Sn diminishes the amount of bridge bonded CO (COB and greatly improves the CO tolerance of Pt-based catalysts. Regarding the effect of Sn loading on the EOR, it enhances the catalytic activity and decreases the onset potential. FTIRS and DEMS analysis indicate that the C-C bond scission occurs at low overpotentials and at the same potential values regardless of the Sn loading, although the amount of C-C bond breaking decreases with the rise of Sn in the catalytic material. Therefore, the elevated catalytic activity toward the EOR at PtSn-based electrodes is mainly associated with the improved CO tolerance and the incomplete oxidation of ethanol to form acetic acid and acetaldehyde species, causing the formation of a higher amount of both C2 products with the rise of Sn loading.

Liver scintigraphy with sup(99m)Tc-Sn-colloid

International Nuclear Information System (INIS)

Suzuki, Masaaki

1976-01-01

Basic and clinical studies of sup(99m)Tc-Sn-colloid (Tc-Sn-C) were made on liver scintigraphy for comparison with 198 Au-colloid in blood clearance, liver accumulation, and spleen imaging strength. Tc-Sn-C was excellent in ease of sterilization, simplicity of preparation, reduction in the exposure dose for the examiner, labeling rate, and stability, and it was effective as a drug for liver scintigraphy. The blood clearance T1/2 can be an indicator for the blood flow rate in the liver, similarly to the Au-C method. Although a decrease in the liver radioactivity after liver accumulation was observed, it was not thought to affect liver scintigraphy. A clear shadow of the liver was obtained in all cases, and there seemed to be no differences between the commercially prepared Tc-Sn-C and the Tc-Sn-C which must be prepared each time. The spleen imaging strength was thought to be effective as a supplementary diagnosis for splenic diseases. No allergic symptoms appeared immediately after examination. (Chiba, N.)

Evaluation of the liver scintigraphy with sup(99m)Tc-Sn-colloid, 2

International Nuclear Information System (INIS)

Kimura, Kazufumi; Nishimura, Tsunehiko; Takeda, Hiroshi; Furukawa, Toshiyuki; Kajiya, Fumihiko.

1975-01-01

Clinical significance of the liver scintigraphy with sup(99m)Tc-Sn-colloid was evaluated in comparison with those with 198 Au-colloid. The liver scintigrams with sup(99m)Tc-Sn-colloid and 198 Au-colloid were done in 36 cases of various hepatic diseases and RI accumulation curves in the liver and the spleen, and the blood disapearance curves were also obtained. The conclusions were as follows. The liver scintigrams with sup(99m)Tc-Sn-colloid proved to be more sensitive in the detection of tumors, especially, in the lower margin, left lobe and superficial layers of the liver than those with 198 Au-colloid. In all cases, including normal and cirrhotic subjects, visualizations of the spleen were seen on the scintigrams with sup(99m)Tc-Sn-colloid. In diffuse hepatic diseases, comparing both radiopharmaceuticals, the splenic accumulations were studied qualitatively and quantitatively. As a result, the ratio (spleen/liver) was thought to be useful for the differentiation of diffuse hepatic diseases concerned with splenic function and/or size. It was also shown that sup(99m)Tc-Sn-colloid was useful as a spleen scanning agent. The Tl/2 in the liver accumulation curves with sup(99m)Tc-Sn-colloid were not as clearly differentiated in the various hepatic diseases as those with 198 Au-colloid where those indexes were useful in the evaluation of liver functions. (auth.)

Reliable and repeatable bonding technology for high temperature automotive power modules for electrified vehicles

International Nuclear Information System (INIS)

Yoon, Sang Won; Shiozaki, Koji; Glover, Michael D; Mantooth, H Alan

2013-01-01

This paper presents the feasibility of highly reliable and repeatable copper–tin transient liquid phase (Cu–Sn TLP) bonding as applied to die attachment in high temperature operational power modules. Electrified vehicles are attracting particular interest as eco-friendly vehicles, but their power modules are challenged because of increasing power densities which lead to high temperatures. Such high temperature operation addresses the importance of advanced bonding technology that is highly reliable (for high temperature operation) and repeatable (for fabrication of advanced structures). Cu–Sn TLP bonding is employed herein because of its high remelting temperature and desirable thermal and electrical conductivities. The bonding starts with a stack of Cu–Sn–Cu metal layers that eventually transforms to Cu–Sn alloys. As the alloys have melting temperatures (Cu 3 Sn: > 600 °C, Cu 6 Sn 5 : > 400 °C) significantly higher than the process temperature, the process can be repeated without damaging previously bonded layers. A Cu–Sn TLP bonding process was developed using thin Sn metal sheets inserted between copper layers on silicon die and direct bonded copper substrates, emulating the process used to construct automotive power modules. Bond quality is characterized using (1) proof-of-concept fabrication, (2) material identification using scanning electron microscopy and energy-dispersive x-ray spectroscopy analysis, and (3) optical analysis using optical microscopy and scanning acoustic microscope. The feasibility of multiple-sided Cu–Sn TLP bonding is demonstrated by the absence of bondline damage in multiple test samples fabricated with double- or four-sided bonding using the TLP bonding process. (paper)

Characteristics and heat treatment of cold-sprayed Al-Sn binary alloy coatings

International Nuclear Information System (INIS)

Ning, Xian-Jin; Kim, Jin-Hong; Kim, Hyung-Jun; Lee, Changhee

2009-01-01

In this study, Al-Sn binary alloy coatings were prepared with Al-5 wt.% Sn (Al-5Sn) and Al-10 wt.% Sn (Al-10Sn) gas atomized powders by low pressure and high pressure cold spray process. The microstructure and microhardness of the coatings were characterized. To understand the coarsening of tin in the coating, the as-sprayed coatings were annealed at 150, 200, 250 and 300 o C for 1 h, respectively. The effect of annealing on microstructure and the bond strength of the coatings were investigated. The results show that Al-5Sn coating can be deposited by high pressure cold spray with nitrogen while Al-10Sn can only be deposited by low pressure cold spray with helium gas. Both Al-5Sn and Al-10Sn coatings present dense structures. The fraction of Sn in as-sprayed coatings is consistent with that in feed stock powders. The coarsening and/or migration of Sn phase in the coatings were observed when the annealing temperature exceeds 200 deg. C. Furthermore, the microhardness of the coatings decreased significantly at the annealing temperature of 250 deg. C. EDXA analysis shows that the heat treatment has no significant effect on fraction of Sn phase in Al-5Sn coatings. Bonding strength of as-sprayed Al-10Sn coating is slightly higher than that of Al-5Sn coating. Annealing at 200 o C can increase the bonding strength of Al-5Sn coatings.

Observation of H-bond mediated 3hJH2H3coupling constants across Watson-Crick AU base pairs in RNA

International Nuclear Information System (INIS)

Luy, Burkhard; Richter, Uwe; DeJong, Eric S.; Sorensen, Ole W.; Marino, John P.

2002-01-01

3h J H2H3 trans-hydrogen bond scalar coupling constants have been observed for the first time in Watson-Crick AU base pairs in uniformly 15 N-labeled RNA oligonucleotides using a new 2h J NN -HNN-E. COSY experiment. The experiment utilizes adenosine H2 (AH2) for original polarization and detection, while employing 2h J NN couplings for coherence transfer across the hydrogen bonds (H-bonds). The H3 protons of uracil bases are unperturbed throughout the experiment so that these protons appear as passive spins in E. COSY patterns. 3h J H2H3 coupling constants can therefore be accurately measured in the acquisition dimension from the displacement of the E. COSY multiplet components, which are separated by the relatively large 1 J H3N3 coupling constants in the indirect dimension of the two-dimensional experiment. The 3h J H2H3 scalar coupling constants determined for AU base pairs in the two RNA hairpins examined here have been found to be positive and range in magnitude up to 1.8 Hz. Using a molecular fragment representation of an AU base pair, density functional theory/finite field perturbation theory (DFT/FPT) methods have been applied to attempt to predict the relative contributions of H-bond length and angular geometry to the magnitude of 3h J H2H3 coupling constants. Although the DFT/FPT calculations did not reproduce the full range of magnitude observed experimentally for the 3h J H2H3 coupling constants, the calculations do predict the correct sign and general trends in variation in size of these coupling constants. The calculations suggest that the magnitude of the coupling constants depends largely on H-bond length, but can also vary with differences in base pair geometry. The dependency of the 3h J H2H3 coupling constant on H-bond strength and geometry makes it a new probe for defining base pairs in NMR studies of nucleic acids

Microstructural, electrical and frequency-dependent properties of Au/p-Cu2ZnSnS4/n-GaN heterojunction.

Science.gov (United States)

Rajagopal Reddy, V; Janardhanam, V; Won, Jonghan; Choi, Chel-Jong

2017-08-01

An Au/Cu 2 ZnSnS 4 (CZTS)/n-GaN heterojunction (HJ) is fabricated with a CZTS interlayer and probed its chemical states, structural, electrical and frequency-dependent characteristics by XPS, TEM, I-V and C-V measurements. XPS and TEM results confirmed that the CZTS films are formed on the n-GaN surface. The band gap of deposited CZTS film is found to be 1.55eV. The electrical properties of HJ correlated with the Au/n-GaN Schottky junction (SJ). The Au/CZTS/n-GaN HJ reveals a good rectification nature with high barrier height (0.82eV) compared to the Au/n-GaN SJ (0.69eV), which suggests the barrier height is influenced by the CZTS interlayer. The barrier height values assessed by I-V, Cheung's and Norde functions are closely matched with one other, thus the methods used here are reliable and valid. The extracted interface state density (N SS ) of Au/CZTS/n-GaN HJ is lower compared to the Au/n-GaN SJ that suggests the CZTS interlayer plays an important role in the reduction of N SS . Moreover, the capacitance-frequency (C-f) and conductance-frequency (G-f) characteristics of SJ and HJ are measured in the range of 1kHz-1MHz, and found that the capacitance and conductance strappingly dependent on frequency. It is found that the N SS estimated from C-f and G-f characteristics is lower compared to those estimated from I-V characteristics. Analysis confirmed that Poole-Frenkel emission dominates the reverse leakage current in both SJ and HJ, probably related to the structural defects and trap levels in the CZTS interlayer. Copyright © 2017 Elsevier Inc. All rights reserved.

SN Refsdal

DEFF Research Database (Denmark)

Kelly, P. L.; Brammer, G.; Selsing, J.

2016-01-01

(SNe), and we find strong evidence for a broad H-alpha P-Cygni profile in the HST grism spectrum at the redshift (z = 1.49) of the spiral host galaxy. SNe IIn, powered by circumstellar interaction, could provide a good match to the light curve of SN Refsdal, but the spectrum of a SN IIn would not show...... in the rest frame, provide additional evidence that supports the SN 1987A-like classification. In comparison with other examples of SN 1987A-like SNe, SN Refsdal has a blue B-V color and a high luminosity for the assumed range of potential magnifications. If SN Refsdal can be modeled as a scaled version of SN...

A dense and strong bonding collagen film for carbon/carbon composites

Energy Technology Data Exchange (ETDEWEB)

Cao, Sheng; Li, Hejun, E-mail: lihejun@nwpu.edu.cn; Li, Kezhi; Lu, Jinhua; Zhang, Leilei

2015-08-30

Graphical abstract: - Highlights: • Significantly enhancement of biocompatibility on C/C composites by preparing a collagen film. • The dense and continuous collagen film had a strong bonding strength with C/C composites after dehydrathermal treatment (DHT) crosslink. • Numerous oxygen-containing functional groups formed on the surface of C/C composites without matrix damage. - Abstract: A strong bonding collagen film was successfully prepared on carbon/carbon (C/C) composites. The surface conditions of the modified C/C composites were detected by contact angle measurements, scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS) and Raman spectra. The roughness, optical morphology, bonding strength and biocompatibility of collagen films at different pH values were detected by confocal laser scanning microscope (CLSM), universal test machine and cytology tests in vitro. After a 4-h modification in 30% H{sub 2}O{sub 2} solution at 100 °C, the contact angle on the surface of C/C composites was decreased from 92.3° to 65.3°. Large quantities of hydroxyl, carboxyl and carbonyl functional groups were formed on the surface of the modified C/C composites. Then a dense and continuous collagen film was prepared on the modified C/C substrate. Bonding strength between collagen film and C/C substrate was reached to 8 MPa level when the pH value of this collagen film was 2.5 after the preparing process. With 2-day dehydrathermal treatment (DHT) crosslinking at 105 °C, the bonding strength was increased to 12 MPa level. At last, the results of in vitro cytological test showed that this collagen film made a great improvement on the biocompatibility on C/C composites.

A dense and strong bonding collagen film for carbon/carbon composites

International Nuclear Information System (INIS)

Cao, Sheng; Li, Hejun; Li, Kezhi; Lu, Jinhua; Zhang, Leilei

2015-01-01

Graphical abstract: - Highlights: • Significantly enhancement of biocompatibility on C/C composites by preparing a collagen film. • The dense and continuous collagen film had a strong bonding strength with C/C composites after dehydrathermal treatment (DHT) crosslink. • Numerous oxygen-containing functional groups formed on the surface of C/C composites without matrix damage. - Abstract: A strong bonding collagen film was successfully prepared on carbon/carbon (C/C) composites. The surface conditions of the modified C/C composites were detected by contact angle measurements, scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS) and Raman spectra. The roughness, optical morphology, bonding strength and biocompatibility of collagen films at different pH values were detected by confocal laser scanning microscope (CLSM), universal test machine and cytology tests in vitro. After a 4-h modification in 30% H 2 O 2 solution at 100 °C, the contact angle on the surface of C/C composites was decreased from 92.3° to 65.3°. Large quantities of hydroxyl, carboxyl and carbonyl functional groups were formed on the surface of the modified C/C composites. Then a dense and continuous collagen film was prepared on the modified C/C substrate. Bonding strength between collagen film and C/C substrate was reached to 8 MPa level when the pH value of this collagen film was 2.5 after the preparing process. With 2-day dehydrathermal treatment (DHT) crosslinking at 105 °C, the bonding strength was increased to 12 MPa level. At last, the results of in vitro cytological test showed that this collagen film made a great improvement on the biocompatibility on C/C composites

Reduction-oxidation Enabled Glass-ceramics to Stainless Steel Bonding Part II interfacial bonding analysis

Energy Technology Data Exchange (ETDEWEB)

Dai, Steve Xunhu [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-09-01

Among glass-ceramic compositions modified with a variety of oxidants (AgO, FeO, NiO, PbO, SnO, CuO, CoO, MoO₃ and WO₃) only CuO and CoO doped glass-ceramics showed existence of bonding oxides through reduction-oxidation (redox) at the GC-SS interface. The CuO-modified glass-ceramics demonstrate the formation of a continuous layer of strong bonding Cr₂O₃ at the interface in low partial oxygen (PO₂) atmosphere. However, in a local reducing atmosphere, the CuO is preferentially reduced at the surface of glass-ceramic rather than the GC-SS interface for redox. The CoO-modified glass-ceramics demonstrate improved GC-SS bonding. But the low mobility of Co⁺⁺ ions in the GC limited the amount of CoO that can diffuse to and participate in redox at the interface.

K2 Au(IO3)5 and β-KAu(IO3)4: Polar Materials with Strong SHG Responses Originating from Synergistic Effect of AuO4 and IO3 Units.

Science.gov (United States)

Xu, Xiang; Hu, Chun-Li; Li, Bing-Xuan; Mao, Jiang-Gao

2016-01-26

Two new polar potassium gold iodates, namely, K2 Au(IO3)5 (Cmc21) and β-KAu(IO3)4 (C2), have been synthesized and structurally characterized. Both compounds feature zero-dimensional polar [Au(IO3)4](-) units composed of an AuO4 square-planar unit coordinated by four IO3(-) ions in a monodentate fashion. In β-KAu(IO3)4, isolated [Au(IO3)4](-) ions are separated by K(+) ions, whereas in K2 Au(IO3)5, isolated [Au(IO3)4](-) ions and non-coordinated IO3(-) units are separated by K(+) ions. Both compounds are thermally stable up to 400 °C and exhibit high transmittance in the NIR region (λ=800-2500 nm) with measured optical band gaps of 2.65 eV for K2 Au(IO3 )5 and 2.75 eV for β-KAu(IO3)4. Powder second-harmonic generation measurements by using λ=2.05 μm laser radiation indicate that K2 Au(IO3)5 and β-KAu(IO3)4 are both phase-matchable materials with strong SHG responses of approximately 1.0 and 1.3 times that of KTiOPO4, respectively. Theoretical calculations based on DFT methods confirm that such strong SHG responses originate from a synergistic effect of the AuO4 and IO3 units. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Variations of color with alloying elements in Pd-free Au-Pt-based high noble dental alloys

International Nuclear Information System (INIS)

Shiraishi, Takanobu; Takuma, Yasuko; Miura, Eri; Fujita, Takeshi; Hisatsune, Kunihiro

2007-01-01

The effects of alloying addition of a small amount of base metals (In, Sn, Fe, Zn) on color variations in Pd-free Au-Pt-based high noble dental alloys were investigated in terms of rectilinear and polar color coordinates. The ternary Au-Pt-X (X = In, Sn, Fe, Zn) and quaternary Au-Pt-In-Y (Y = Sn, Fe, Zn) alloys were prepared from high purity component metals. The amount of alloying base metals, X and Y, were restricted up to 2 at.%. The alloying addition of a small amount of Fe, In, Sn, to a binary Au-10 at.% Pt alloy (referred to as AP10) effectively increased chroma, C *. On the other hand, the addition of Zn to the parent alloy AP10 did not change color coordinates greatly. The increase in chroma in the present Au-Pt-based high noble alloys was attributed to the increase in the slope of spectral reflectance curve at its absorption edge near 515 nm. It was found that the addition of a small amount of Fe to the parent alloy AP10 markedly increased lightness, L *, and the addition of Sn gave a very light tint of red to the parent alloy. Although red-green chromaticity index a * contributed to chroma to some extent, contribution of yellow-blue chromaticity index b * was much greater in determining chroma in this Pd-free Au-Pt-based multi-component alloys. The present results are expected to be valuable in case color is to be taken into account in designing Pd-free Au-Pt-based high noble dental alloys

Variations of color with alloying elements in Pd-free Au-Pt-based high noble dental alloys

Energy Technology Data Exchange (ETDEWEB)

Shiraishi, Takanobu [Department of Dental and Biomedical Materials Science, Unit of Basic Medical Sciences, Graduate School of Biomedical Sciences, Nagasaki University, 1-7-1 Sakamoto, Nagasaki 852-8588 (Japan)]. E-mail: siraisi@nagasaki-u.ac.jp; Takuma, Yasuko [Department of Dental and Biomedical Materials Science, Unit of Basic Medical Sciences, Graduate School of Biomedical Sciences, Nagasaki University, 1-7-1 Sakamoto, Nagasaki 852-8588 (Japan); Miura, Eri [Department of Dental and Biomedical Materials Science, Unit of Basic Medical Sciences, Graduate School of Biomedical Sciences, Nagasaki University, 1-7-1 Sakamoto, Nagasaki 852-8588 (Japan); Fujita, Takeshi [Department of Dental and Biomedical Materials Science, Unit of Basic Medical Sciences, Graduate School of Biomedical Sciences, Nagasaki University, 1-7-1 Sakamoto, Nagasaki 852-8588 (Japan); Hisatsune, Kunihiro [Department of Dental and Biomedical Materials Science, Unit of Basic Medical Sciences, Graduate School of Biomedical Sciences, Nagasaki University, 1-7-1 Sakamoto, Nagasaki 852-8588 (Japan)

2007-06-15

The effects of alloying addition of a small amount of base metals (In, Sn, Fe, Zn) on color variations in Pd-free Au-Pt-based high noble dental alloys were investigated in terms of rectilinear and polar color coordinates. The ternary Au-Pt-X (X = In, Sn, Fe, Zn) and quaternary Au-Pt-In-Y (Y = Sn, Fe, Zn) alloys were prepared from high purity component metals. The amount of alloying base metals, X and Y, were restricted up to 2 at.%. The alloying addition of a small amount of Fe, In, Sn, to a binary Au-10 at.% Pt alloy (referred to as AP10) effectively increased chroma, C *. On the other hand, the addition of Zn to the parent alloy AP10 did not change color coordinates greatly. The increase in chroma in the present Au-Pt-based high noble alloys was attributed to the increase in the slope of spectral reflectance curve at its absorption edge near 515 nm. It was found that the addition of a small amount of Fe to the parent alloy AP10 markedly increased lightness, L *, and the addition of Sn gave a very light tint of red to the parent alloy. Although red-green chromaticity index a * contributed to chroma to some extent, contribution of yellow-blue chromaticity index b * was much greater in determining chroma in this Pd-free Au-Pt-based multi-component alloys. The present results are expected to be valuable in case color is to be taken into account in designing Pd-free Au-Pt-based high noble dental alloys.

Short strong hydrogen bonds in proteins: a case study of rhamnogalacturonan acetylesterase

International Nuclear Information System (INIS)

Langkilde, Annette; Kristensen, Søren M.; Lo Leggio, Leila; Mølgaard, Anne; Jensen, Jan H.; Houk, Andrew R.; Navarro Poulsen, Jens-Christian; Kauppinen, Sakari; Larsen, Sine

2008-01-01

The short hydrogen bonds in rhamnogalacturonan acetylesterase have been investigated by structure determination of an active-site mutant, 1 H NMR spectra and computational methods. Comparisons are made to database statistics. A very short carboxylic acid carboxylate hydrogen bond, buried in the protein, could explain the low-field (18 p.p.m.) 1 H NMR signal. An extremely low-field signal (at approximately 18 p.p.m.) in the 1 H NMR spectrum of rhamnogalacturonan acetylesterase (RGAE) shows the presence of a short strong hydrogen bond in the structure. This signal was also present in the mutant RGAE D192N, in which Asp192, which is part of the catalytic triad, has been replaced with Asn. A careful analysis of wild-type RGAE and RGAE D192N was conducted with the purpose of identifying possible candidates for the short hydrogen bond with the 18 p.p.m. deshielded proton. Theoretical calculations of chemical shift values were used in the interpretation of the experimental 1 H NMR spectra. The crystal structure of RGAE D192N was determined to 1.33 Å resolution and refined to an R value of 11.6% for all data. The structure is virtually identical to the high-resolution (1.12 Å) structure of the wild-type enzyme except for the interactions involving the mutation and a disordered loop. Searches of the Cambridge Structural Database were conducted to obtain information on the donor–acceptor distances of different types of hydrogen bonds. The short hydrogen-bond interactions found in RGAE have equivalents in small-molecule structures. An examination of the short hydrogen bonds in RGAE, the calculated pK a values and solvent-accessibilities identified a buried carboxylic acid carboxylate hydrogen bond between Asp75 and Asp87 as the likely origin of the 18 p.p.m. signal. Similar hydrogen-bond interactions between two Asp or Glu carboxy groups were found in 16% of a homology-reduced set of high-quality structures extracted from the PDB. The shortest hydrogen bonds in RGAE are

Electron-Poor Polar Intermetallics: Complex Structures, Novel Clusters, and Intriguing Bonding with Pronounced Electron Delocalization.

Science.gov (United States)

Lin, Qisheng; Miller, Gordon J

2018-01-16

Intermetallic compounds represent an extensive pool of candidates for energy related applications stemming from magnetic, electric, optic, caloric, and catalytic properties. The discovery of novel intermetallic compounds can enhance understanding of the chemical principles that govern structural stability and chemical bonding as well as finding new applications. Valence electron-poor polar intermetallics with valence electron concentrations (VECs) between 2.0 and 3.0 e - /atom show a plethora of unprecedented and fascinating structural motifs and bonding features. Therefore, establishing simple structure-bonding-property relationships is especially challenging for this compound class because commonly accepted valence electron counting rules are inappropriate. During our efforts to find quasicrystals and crystalline approximants by valence electron tuning near 2.0 e - /atom, we observed that compositions close to those of quasicrystals are exceptional sources for unprecedented valence electron-poor polar intermetallics, e.g., Ca 4 Au 10 In 3 containing (Au 10 In 3 ) wavy layers, Li 14.7 Mg 36.8 Cu 21.5 Ga 66 adopting a type IV clathrate framework, and Sc 4 Mg x Cu 15-x Ga 7.5 that is incommensurately modulated. In particular, exploratory syntheses of AAu 3 T (A = Ca, Sr, Ba and T = Ge, Sn) phases led to interesting bonding features for Au, such as columns, layers, and lonsdaleite-type tetrahedral frameworks. Overall, the breadth of Au-rich polar intermetallics originates, in part, from significant relativistics effect on the valence electrons of Au, effects which result in greater 6s/5d orbital mixing, a small effective metallic radius, and an enhanced Mulliken electronegativity, all leading to ultimate enhanced binding with nearly all metals including itself. Two other successful strategies to mine electron-poor polar intermetallics include lithiation and "cation-rich" phases. Along these lines, we have studied lithiated Zn-rich compounds in which structural

Gold surfaces and nanoparticles are protected by Au(0)-thiyl species and are destroyed when Au(I)-thiolates form

DEFF Research Database (Denmark)

Reimers, Jeffrey R.; Ford, Michael J.; Halder, Arnab

2016-01-01

that it is the noble character of gold and nanoparticle surfaces that destabilizes Au(I)-thiolates. Bonding results from large van der Waals forces, influenced by covalent bonding induced through s-d hybridization and charge polarization effects that perturbatively mix in some Au(I)-thiolate character. A simple method...

A facile one-pot method to Au–SnO2-graphene ternary hybrid

International Nuclear Information System (INIS)

Xu, Diou; Li, Xiaotian; Zhang, Dawei

2014-01-01

In this article, we propose a facile one-pot route for synthesizing Au–SnO 2 -graphene ternary hybrid. In the system, SnCl 2 not only as the precursor of SnO 2 , but also is employed as reducing agent for the effective reduction of both GO and HAuCl 4 to graphene and Au nanoparticles, respectively. The obtained Au–SnO 2 -graphene hybrid materials are characterized by atomic force microscopy, transmission electron microscopy, X-ray diffraction, Raman spectrum, X-ray photo-electron spectroscopy, and thermal gravimetric analysis. It is found that the content of Au nanoparticles decorated on the surface of graphene can be simply adjusted by changing the amount of HAuCl 4 used in the synthesis process

NaAuS chicken-wire-like semiconductor: Electronic structure and optical properties

International Nuclear Information System (INIS)

Reshak, A.H.; Khan, Saleem Ayaz; Kamarudin, H.; Bila, Jiri

2014-01-01

Highlights: • Chicken wire like semiconductor NaAuS was investigated. • Good agreement with experimental data was found. • Electronic charge density of chicken wire like semiconductor NaAuS was obtained. • The calculated uniaxial anisotropy is −0.0005, indicating the strong anisotropy. -- Abstract: The electronic structure, charge density and optical properties of NaAuS a chicken-wire-like semiconductor was calculated using full potential linear augmented plane wave based on density functional theory. The Ceperley-Alder local density approximation, Perdew Becke Ernzerhof Generalized gradient approximation and Engel Voskov Generalized Gradient Approximation were applied to solve the exchange correlation potential. The investigation of band structures and density of states elucidates that Engle Vasko Generalized Gradient Approximation shows close agreement to the experimental data. The calculated valence charge density shows pure ionic nature of Au–Au bond. It becomes partially covalent when Au is connected with two Na atoms. The linear optical susceptibilities of chicken-wire-like NaAuS semiconductor are calculated so as to obtain further insight into the electronic properties. The uniaxial anisotropy is −0.0005, indicating the strong anisotropy of the dielectric function in the NaAuS a chicken-wire-like semiconductor

NaAuS chicken-wire-like semiconductor: Electronic structure and optical properties

Energy Technology Data Exchange (ETDEWEB)

Reshak, A.H. [Institute of Complex Systems, FFPW, CENAKVA, University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Khan, Saleem Ayaz, E-mail: sayaz_usb@yahoo.com [Institute of Complex Systems, FFPW, CENAKVA, University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic); Kamarudin, H. [Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Bila, Jiri [Department of Instrumentation and Control Engineering, Faculty of Mechanical Engineering, CTU in Prague, Technicka 4, 166 07 Prague 6 (Czech Republic)

2014-01-05

Highlights: • Chicken wire like semiconductor NaAuS was investigated. • Good agreement with experimental data was found. • Electronic charge density of chicken wire like semiconductor NaAuS was obtained. • The calculated uniaxial anisotropy is −0.0005, indicating the strong anisotropy. -- Abstract: The electronic structure, charge density and optical properties of NaAuS a chicken-wire-like semiconductor was calculated using full potential linear augmented plane wave based on density functional theory. The Ceperley-Alder local density approximation, Perdew Becke Ernzerhof Generalized gradient approximation and Engel Voskov Generalized Gradient Approximation were applied to solve the exchange correlation potential. The investigation of band structures and density of states elucidates that Engle Vasko Generalized Gradient Approximation shows close agreement to the experimental data. The calculated valence charge density shows pure ionic nature of Au–Au bond. It becomes partially covalent when Au is connected with two Na atoms. The linear optical susceptibilities of chicken-wire-like NaAuS semiconductor are calculated so as to obtain further insight into the electronic properties. The uniaxial anisotropy is −0.0005, indicating the strong anisotropy of the dielectric function in the NaAuS a chicken-wire-like semiconductor.

Probing the electronic structure and Au–C chemical bonding in AuC2− and AuC2 using high-resolution photoelectron spectroscopy

International Nuclear Information System (INIS)

León, Iker; Yang, Zheng; Wang, Lai-Sheng

2014-01-01

We report photoelectron spectroscopy (PES) and high-resolution PE imaging of AuC 2 − at a wide range of photon energies. The ground state of AuC 2 − is found to be linear (C ∞v , 1 Σ + ) with a …8π 4 4δ 4 17σ 2 9π 4 18σ 2 valence configuration. Detachments from all the five valence orbitals of the ground state of AuC 2 − are observed at 193 nm. High-resolution PE images are obtained in the energy range from 830 to 330 nm, revealing complicated vibronic structures from electron detachment of the 18σ, 9π, and 17σ orbitals. Detachment from the 18σ orbital results in the 2 Σ + ground state of neutral AuC 2 , which, however, is bent due to strong vibronic coupling with the nearby 2 Π state from detachment of a 9π electron. The 2 Σ + – 2 Π vibronic and spin-orbit coupling results in complicated vibronic structures for the 2 Σ + and 2 Π 3/2 states with extensive bending excitations. The electron affinity of AuC 2 is measured accurately to be 3.2192(7) eV with a ground state bending frequency of 195(6) cm −1 . The first excited state ( 2 A′) of AuC 2 , corresponding to the 2 Π 3/2 state at the linear geometry, is only 0.0021 eV above the ground state ( 2 A′) and has a bending frequency of 207(6) cm −1 . The 2 Π 1/2 state, 0.2291 eV above the ground state, is linear with little geometry change relative to the anion ground state. The detachment of the 17σ orbital also results in complicated vibronic structures, suggesting again a bent state due to possible vibronic coupling with the lower 2 Π state. The spectrum at 193 nm shows the presence of a minor species with less than 2% intensity relative to the ground state of AuC 2 − . High-resolution data of the minor species reveal several vibrational progressions in the Au–C stretching mode, which are assigned to be from the metastable 3 Π 2,1,0 spin-orbit excited states of AuC 2 − to the 2 Π 3/2,1/2 spin-orbit states of neutral AuC 2 . The spin-orbit splittings of the 3 Π and 2 �

Wetting behaviour of lead-free Sn-based alloys on Cu and Ni substrates

International Nuclear Information System (INIS)

Amore, S.; Ricci, E.; Borzone, G.; Novakovic, R.

2008-01-01

The present work was carried out in the framework of the study of new lead-free solder alloys for technical applications in electronic devices. In the focus of this characterisation the wetting behaviour of several Sn-rich alloys belonging to the In-Sn, Au-Sn and Cu-Sn systems has been studied by measuring the contact angle variations on Cu and Ni substrates as a function of time and temperature. The interface between the alloy and the substrate has been analysed by the use of optical microscopy and scanning electron microscopy combined with energy-dispersive X-ray spectrometry in order to study the reaction between the alloy and the solid substrate and the possible formation of different compounds at the interface. A remarkable effect of the two different substrates on the behaviour of the contact angle as a function of temperature and on the morphology of the interface between the liquid solder and the solid substrate was observed for the In-Sn and Cu-Sn, while the Au-Sn system shows a very similar wetting behaviour on Cu and Ni

Portuguese granites associated with Sn-W and Au mineralizations

OpenAIRE

Ana M.R. Neiva

2002-01-01

In northern and central Portugal, there are different tin-bearing granites. Most of them are of S-type, others have mixed characteristics of I-type and S-type granites and a few are of I-type. Tin-tungsten deposits are commonly associated with Hercynian tin-bearing S-type granites. Some quartz veins with wolframite are associated with an I-type granite, which has a low Sn content. In suites of tin-bearing S-type granitic rocks, Sn content increases as a function of the degree of fractional cr...

Comprehensive Die Shear Test of Silicon Packages Bonded by Thermocompression of Al Layers with Thin Sn Capping or Insertions

Directory of Open Access Journals (Sweden)

Shiro Satoh

2018-04-01

Full Text Available Thermocompression bonding for wafer-level hermetic packaging was demonstrated at the lowest temperature of 370 to 390 °C ever reported using Al films with thin Sn capping or insertions as bonding layer. For shrinking the chip size of MEMS (micro electro mechanical systems, a smaller size of wafer-level packaging and MEMS–ASIC (application specific integrated circuit integration are of great importance. Metal-based bonding under the temperature of CMOS (complementary metal-oxide-semiconductor backend process is a key technology, and Al is one of the best candidates for bonding metal in terms of CMOS compatibility. In this study, after the thermocompression bonding of two substrates, the shear fracture strength of dies was measured by a bonding tester, and the shear-fractured surfaces were observed by SEM (scanning electron microscope, EDX (energy dispersive X-ray spectrometry, and a surface profiler to clarify where the shear fracture took place. We confirmed two kinds of fracture mode. One mode is Si bulk fracture mode, where the die shear strength is 41.6 to 209 MPa, proportionally depending on the area of Si fracture. The other mode is bonding interface fracture mode, where the die shear strength is 32.8 to 97.4 MPa. Regardless of the fracture modes, the minimum die shear strength is practical for wafer-level MEMS packaging.

Facile synthesis of terminal-alkyne bioorthogonal molecules for live -cell surface-enhanced Raman scattering imaging through Au-core and silver/dopamine-shell nanotags.

Science.gov (United States)

Chen, Meng; Zhang, Ling; Yang, Bo; Gao, Mingxia; Zhang, Xiangmin

2018-03-01

Alkyne is unique, specific and biocompatible in the Raman-silent region of the cell, but there still remains a challenge to achieve ultrasensitive detection in living systems due to its weak Raman scattering. Herein, a terminal alkyne ((E)-2-[4-(ethynylbenzylidene)amino]ethane-1-thiol (EBAE)) with surface-enhanced Raman scattering is synthesized. The EBAE molecule possesses S- and C-termini, which can be directly bonded to gold nanoparticles and dopamine/silver by forming the Au-S chemical bond and the carbon-metal bond, respectively. The distance between Raman reporter and AuNPs/AgNPs can be reduced, contributing to forming hot-spot-based SERS substrate. The alkyne functionalized nanoparticles are based on Au core and encapsulating polydopamine shell, defined as Au-core and dopamine/Ag-shell (ACDS). The bimetallic ACDS induce strong SERS signals for molecular imaging that arise from the strong electromagnetic field. Furthermore, the EBAE provides a distinct peak in the cellular Raman-silent region with nearly zero background interference. The EBAE Raman signals could be tremendously enhanced when the Raman reporter is located at the middle of the Au-core and dopamine/Ag-shell. Therefore, this work could have huge potential benefits for the highly sensitive detection of intercellular information delivery by connecting the recognition molecules in biomedical diagnostics. Graphical abstract Terminal-alkyne-functionalized Au-core and silver/dopamine-shell nanotags for live-cell surface-enhanced Raman scattering imaging.

Carbon-supported PdM (M = Au and Sn) nanocatalysts for the electrooxidation of ethanol in high pH media

Science.gov (United States)

He, Qinggang; Chen, Wei; Mukerjee, Sanjeev; Chen, Shaowei; Laufek, František

Carbon-supported Pd 4Au- and Pd 2.5Sn-alloyed nanoparticles were prepared by a chemical reduction method, and characterized by a wide array of experimental techniques including mass spectrometry, transmission electron microscopy, and X-ray diffraction spectroscopy. Ethanol electrooxidation on the as-synthesized catalysts and commercial Pt/C was then investigated and compared in alkaline media by cyclic voltammetry, chronoamperometry, and electrochemical impedance spectroscopy studies at room temperature. Voltammetric and chronoamperometric measurements showed higher current density and longer term stability in ethanol oxidation with the palladium alloy nanocatalysts than with the commercial one. Electrochemical impedance spectroscopy and Tafel plots were employed to examine the charge-transfer kinetics of ethanol electrooxidation. The results suggest that whereas the reaction kinetics might be somewhat more sluggish on the Pd-based alloy catalysts than on commercial Pt/C, the former appeared to have a higher tolerance to surface poisoning. Overall, the Pd-based alloy catalysts represent promising candidates for the electrocatalytic oxidation of ethanol, and Pd 4Au/C displays the best catalytic activity among the series for the ethanol oxidation in alkaline media.

INDRA at GSI; INDRA au GSI

Energy Technology Data Exchange (ETDEWEB)

Bougault, R.; Bocage, F.; Durand, D.; Lopez, O.; Steckmeyer, J.C.; Tamain, B.; Vient, E. [Lab. de Physique Corpusculaire, Caen Univ., 14 (France); Collaboration INDRA: IPN-Orsay, DAPNIA-Saclay, SUBATECH-Nantes, IPN- Lyon, GANIL-Caen

1997-12-31

In connection to the decision of installing the INDRA detector by the SIS synchrocyclotron at GSI (Darmstadt, Germany) the report presents the tasks taken into account by the LPC-Caen. These refer to the detector displacement and (mechanical) installation at GSI, the tests before beam (i.e. electronics acquisition software, detectors, etc.) as well as the data acquisition and processing. The physical pro-arguments mention the possibility of disposing of heavy ion beams in a range from 50 MeV to several GeV/nucleon so extending the study of multifragmentation done at GANIL between 30 and 90 MeV/nucleon. More specific, the scientific program of INDRA at GSI inserts studies between those done at around Fermi energy, were the reaction mechanisms are of type of deep inelastic scattering/incomplete fusion, and the studies in the relativistic energy domain where the individual properties of nucleons and transparency of nuclear matter implies mechanisms of the participant-spectator type (fire-ball creation). Also mentioned as fields of extensive studies are: the multifragmentation and its fundamental relation with the nuclear matter equation of state, the role of reaction dynamics in the appearance of collective effects of the radial flow type and its relations with the nuclear compressibility and phase transitions and the thermodynamics of nuclear matter. It appeared that the heavy systems Xe + Sn and Au + Au are the best compromise for the different topics to be approached. The bombarding energies extend from 50 to 150 MeV/nucleon. The report ends with the table giving for six heavy systems (Xe + Sn, Au + Au, C + Au, Ar + Au and P + Au) the required bombarding energies 15 refs.

NMR and IR Investigations of Strong Intramolecular Hydrogen Bonds

Directory of Open Access Journals (Sweden)

Poul Erik Hansen

2017-03-01

Full Text Available For the purpose of this review, strong hydrogen bonds have been defined on the basis of experimental data, such as OH stretching wavenumbers, νOH, and OH chemical shifts, δOH (in the latter case, after correction for ring current effects. Limits for O–H···Y systems are taken as 2800 > νOH > 1800 cm−1, and 19 ppm > δOH > 15 ppm. Recent results as well as an account of theoretical advances are presented for a series of important classes of compounds such as β-diketone enols, β-thioxoketone enols, Mannich bases, proton sponges, quinoline N-oxides and diacid anions. The O···O distance has long been used as a parameter for hydrogen bond strength in O–H···O systems. On a broad scale, a correlation between OH stretching wavenumbers and O···O distances is observed, as demonstrated experimentally as well as theoretically, but for substituted β-diketone enols this correlation is relatively weak.

Au-Ge based Candidate Alloys for High-Temperature Lead-Free Solder Alternatives

DEFF Research Database (Denmark)

Chidambaram, Vivek; Hald, John; Hattel, Jesper Henri

2009-01-01

Au-Ge based candidate alloys have been proposed as an alternative to high-lead content solders that are currently being used for high-temperature applications. The influence of the low melting point metals namely In, Sb and Sn to the Au-Ge eutectic with respect to the microstructure and microhard......Au-Ge based candidate alloys have been proposed as an alternative to high-lead content solders that are currently being used for high-temperature applications. The influence of the low melting point metals namely In, Sb and Sn to the Au-Ge eutectic with respect to the microstructure...... was primarily strengthened by the refined (Ge) dispersed phase. The distribution of phases played a relatively more crucial role in determining the ductility of the bulk solder alloy. In the present work it was found that among the low melting point metals, the addition of Sb to the Au-Ge eutectic would...

Synthesis and fundamental properties of stable Ph(3)SnSiH(3) and Ph(3)SnGeH(3) hydrides: model compounds for the design of Si-Ge-Sn photonic alloys.

Science.gov (United States)

Tice, Jesse B; Chizmeshya, Andrew V G; Groy, Thomas L; Kouvetakis, John

2009-07-06

The compounds Ph(3)SnSiH(3) and Ph(3)SnGeH(3) (Ph = C(6)H(5)) have been synthesized as colorless solids containing Sn-MH(3) (M = Si, Ge) moieties that are stable in air despite the presence of multiple and highly reactive Si-H and Ge-H bonds. These molecules are of interest since they represent potential model compounds for the design of new classes of IR semiconductors in the Si-Ge-Sn system. Their unexpected stability and high solubility also makes them a safe, convenient, and potentially useful delivery source of -SiH(3) and -GeH(3) ligands in molecular synthesis. The structure and composition of both compounds has been determined by chemical analysis and a range of spectroscopic methods including multinuclear NMR. Single crystal X-ray structures were determined and indicated that both compounds condense in a Z = 2 triclinic (P1) space group with lattice parameters (a = 9.7754(4) A, b = 9.8008(4) A, c = 10.4093(5) A, alpha = 73.35(10)(o), beta = 65.39(10)(o), gamma = 73.18(10)(o)) for Ph(3)SnSiH(3) and (a = 9.7927(2) A, b = 9.8005(2) A, c = 10.4224(2) A, alpha = 74.01(3)(o), beta = 65.48(3)(o), gamma = 73.43(3)(o)) for Ph(3)SnGeH(3). First principles density functional theory simulations are used to corroborate the molecular structures of Ph(3)SnSiH(3) and Ph(3)SnGeH(3), gain valuable insight into the relative stability of the two compounds, and provide correlations between the Si-Sn and Ge-Sn bonds in the molecules and those in tetrahedral Si-Ge-Sn solids.

Strong anharmonicity in the phonon spectra of PbTe and SnTe from first principles

Science.gov (United States)

Ribeiro, Guilherme A. S.; Paulatto, Lorenzo; Bianco, Raffaello; Errea, Ion; Mauri, Francesco; Calandra, Matteo

2018-01-01

At room temperature, PbTe and SnTe are efficient thermoelectrics with a cubic structure. At low temperature, SnTe undergoes a ferroelectric transition with a critical temperature strongly dependent on the hole concentration, while PbTe is an incipient ferroelectric. By using the stochastic self-consistent harmonic approximation, we investigate the anharmonic phonon spectra and the occurrence of a ferroelectric transition in both systems. We find that vibrational spectra strongly depend on the approximation used for the exchange-correlation kernel in density-functional theory. If gradient corrections and the theoretical volume are employed, then the calculation of the phonon frequencies as obtained from the diagonalization of the free-energy Hessian leads to phonon spectra in good agreement with experimental data for both systems. In PbTe we evaluate the linear thermal expansion coefficient γ =2.3 ×10-5K-1 , finding it to be in good agreement with experimental value of γ =2.04 ×10-5K-1 . Furthermore, we study the phonon spectrum and we do reproduce the transverse optical mode phonon satellite detected in inelastic neutron scattering and the crossing between the transverse optical and the longitudinal acoustic modes along the Γ X direction. The phonon satellite becomes broader at high temperatures but its energy is essentially temperature independent, in agreement with experiments. We decompose the self-consistent harmonic free energy in second-, third-, and fourth-order anharmonic terms. We find that the third- and fourth-order terms are small. However, treating the third-order term perturbatively on top of the second-order self-consistent harmonic free energy overestimates the energy of the satellite associated with the transverse optical mode. On the contrary, a perturbative treatment on top of the harmonic Hamiltonian breaks down and leads to imaginary phonon frequencies already at 300 K. In the case of SnTe, we describe the occurrence of a ferroelectric

Diffusion of 1,4-butanedithiol radicals on Au(111) and Au(100): A DFT-based comparison

Energy Technology Data Exchange (ETDEWEB)

Franke, Andreas; Pehlke, Eckhard [Institut fuer Theoretische Physik und Astrophysik, Universitaet Kiel, 24098 Kiel (Germany)

2010-07-01

Organic molecules chemisorbed on surfaces hold the perspective of surface functionalization. The 1,4-butanedithiol radical chemisorbed at the Au(111) or Au(100) surface serves as a model system for the S-Au molecule-substrate bond. Density functional total-energy calculations have been carried out for the chemisorption of the radical on the unreconstructed Au surfaces, which are both known to be stabilized under electrochemical conditions. Local minima with close-by energies indicate multi-valley potential-energy surfaces, which originate from the interplay between the two S-Au adsorbate-substrate bonds and the internal degrees of freedom of the butanedithiol radical. Diffusion paths of the radical on both Au surfaces have been calculated within DFT using VASP. The diffusion barriers for translation and rotation of the radical differ. They can be fine-tuned by varying the applied potential in the electrochemical cell. This is considered theoretically by inspecting the variation of the dipole moment along the reaction paths. Consequences for the dynamics of succeeding diffusion hops are discussed.

Intercalation of organic molecules into SnS2 single crystals

International Nuclear Information System (INIS)

Toh, M.L.; Tan, K.J.; Wei, F.X.; Zhang, K.K.; Jiang, H.; Kloc, C.

2013-01-01

SnS 2 is a layered semiconductor with a van der Waals gap separating the covalently bonded layers. In this study, post-synthesis intercalation of donor organic amine molecules, such as ethylenediamine (en), into tin disulfide and secondary intercalation of p-phenylenediamine (PPD) and 1, 5-naphthalenediamine (NDA) into SnS 2e n have been verified with X-ray diffraction. PPD and NDA did not intercalate directly even during prolonged annealing but replaced en readily if en was already present in the van der Waals gap. The c-lattice dilation is proportional to the intercalant size. Unit cell lattices of intercalated products were determined from the positions of the X-ray diffraction peaks. Optical images taken during the intercalation showed that intercalation progressed from the periphery towards the interior of the crystal. TEM diffraction patterns in the [0 0 1] direction of SnS 2 after intercalation revealed defects and stacking mismatches among the SnS 2 layers caused by the intercalation. UV–Vis absorption studies showed a red shift in the band edge of the SnS 2 material after intercalation. The band edge was 2.2 eV for pristine SnS 2 ; after intercalation with en or PPD, the absorbance spectra band edges shifted to approximately 0.7 eV or 0.5 eV, respectively. - Graphical Abstract: SnS 2 single crystals were intercalated with organic amine molecules such as ethylenediamine, phenylenediamine and naphthalenediamine. Absorption studies showed red shift of band edge after intercalation, which was consistent with optical observations. X-ray diffraction indicated lattice dilation in the c-lattice of SnS 2 after intercalation. Highlights: ► Organic molecules intercalated inhomogenously between covalently bonded SnS 2 layers. ► Ethylenediamine (en) intercalate directly into SnS 2 . ► Phenylenediamine (PPD) and naphthalenediamine (NDA) can be intercalated into SnS 2 secondary. ► In a secondary intercalation the bonds between layers are weakened by direct

Structures, energetics and magnetic properties of (NiSn) n clusters ...

Indian Academy of Sciences (India)

The preference for tetrahedron unit of Ni3 Sn is seen in the lowest-energy configuration of these clusters. The multi-centre bonding between Ni atoms play an important role in stabilizing the stoichiometric Ni–Sn clusters. Doping of Sn atoms enhances the binding energy and reduces the ionization potential of nickel clusters.

Three-Dimensional Bioprinting of Oppositely Charged Hydrogels with Super Strong Interface Bonding.

Science.gov (United States)

Li, Huijun; Tan, Yu Jun; Liu, Sijun; Li, Lin

2018-04-04

A novel strategy to improve the adhesion between printed layers of three-dimensional (3D) printed constructs is developed by exploiting the interaction between two oppositely charged hydrogels. Three anionic hydrogels [alginate, xanthan, and κ-carrageenan (Kca)] and three cationic hydrogels [chitosan, gelatin, and gelatin methacrylate (GelMA)] are chosen to find the optimal combination of two oppositely charged hydrogels for the best 3D printability with strong interface bonding. Rheological properties and printability of the hydrogels, as well as structural integrity of printed constructs in cell culture medium, are studied as functions of polymer concentration and the combination of hydrogels. Kca2 (2 wt % Kca hydrogel) and GelMA10 (10 wt % GelMA hydrogel) are found to be the best combination of oppositely charged hydrogels for 3D printing. The interfacial bonding between a Kca layer and a GelMA layer is proven to be significantly higher than that of the bilayered Kca or bilayered GelMA because of the formation of polyelectrolyte complexes between the oppositely charged hydrogels. A good cell viability of >96% is obtained for the 3D-bioprinted Kca-GelMA construct. This novel strategy has a great potential for 3D bioprinting of layered constructs with a strong interface bonding.

Theoretical prediction of the noble gas complexes HeAuF and NeAuF

Institute of Scientific and Technical Information of China (English)

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2009-01-01

Ab initio calculations were carried out to investigate the structures and the stability of the noble gas complexes HeAuF and NeAuF through MP2 and CCSD(T) methods.The HeAuF was predicted to have a linear structure with weak He-Au covalent bonding,the distance of which is closer to the covalent limit in comparison with the corresponding van der Waals limit.The dissociation energy with respect to He + AuF was found to be 24 and 26 kJ·mol-1 at the CCSD(T)/basis set B and B’ levels,respectively.However,similar calculations for NeAuF indicate that NeAuF is not a stable species.

SN 2013fs and SN 2013fr: exploring the circumstellar-material diversity in Type II supernovae

Science.gov (United States)

Bullivant, Christopher; Smith, Nathan; Williams, G. Grant; Mauerhan, Jon C.; Andrews, Jennifer E.; Fong, Wen-Fai; Bilinski, Christopher; Kilpatrick, Charles D.; Milne, Peter A.; Fox, Ori D.; Cenko, S. Bradley; Filippenko, Alexei V.; Zheng, WeiKang; Kelly, Patrick L.; Clubb, Kelsey I.

2018-05-01

We present photometry and spectroscopy of SN 2013fs and SN 2013fr in the first ˜100 d post-explosion. Both objects showed transient, relatively narrow H α emission lines characteristic of SNe IIn, but later resembled normal SNe II-P or SNe II-L, indicative of fleeting interaction with circumstellar material (CSM). SN 2013fs was discovered within 8 h of explosion; one of the earliest SNe discovered thus far. Its light curve exhibits a plateau, with spectra revealing strong CSM interaction at early times. It is a less luminous version of the transitional SN IIn PTF11iqb, further demonstrating a continuum of CSM interaction intensity between SNe II-P and SNe IIn. It requires dense CSM within 6.5 × 1014 cm of the progenitor, from a phase of advanced pre-SN mass loss beginning shortly before explosion. Spectropolarimetry of SN 2013fs shows little continuum polarization (˜0.5 per cent, consistent with zero), but noticeable line polarization during the plateau phase. SN 2013fr morphed from an SN IIn at early times to an SN II-L. After the first epoch, its narrow lines probably arose from host-galaxy emission, but the bright, narrow H α emission at early times may be intrinsic to the SN. As for SN 2013fs, this would point to a short-lived phase of strong CSM interaction if proven to be intrinsic, suggesting a continuum between SNe IIn and SNe II-L. It is a low-velocity SN II-L like SN 2009kr, but more luminous. SN 2013fr also developed an infrared excess at later times, due to warm CSM dust that requires a more sustained phase of strong pre-SN mass loss.

An in situ FTIR spectroscopic and thermogravimetric analysis study of the dehydration and dihydroxylation of SnO2: the contribution of the (100), (110) and (111) facets.

Science.gov (United States)

Christensen, P A; Attidekou, P S; Egdell, R G; Maneelok, S; Manning, D A C

2016-08-17

Nanoparticulate SnO2 produced by a hydrothermal method was characterised by BET, XRD, TGA-MS and in situ variable temperature diffuse reflectance infra red spectroscopy (DRIFTS) to determine the surface behaviour of water. For the (100) facets, hydrogen bonding does not occur, and water adsorption is less strong than for the (111) and (110) facets where hydrogen bonding does occur. Reversible uptake of oxygen was observed. These findings have implications for other surface-gas reactions in which Ni and Sb co-doped SnO2 (NATO) anodes are used for ozone generation. BET showed the relatively high surface area and nanometer scale of the SnO2 particles, whilst XRD confirmed the nano dimension of the crystallites and showed only the cassiterite phase. TGA analysis indicated four temperature regions over which mass loss was observed. These and the in situ DRIFTS studies revealed the existence of various forms of water associated with specific crystal facets of the SnO2, as well as the existence of isolated O-H groups and adsorbed oxygen species. Electronic absorptions were also observed and the data rationalised in terms of the existence of both free electron absorptions, and absorptions from oxygen vacancy states. The role of adsorbed molecular oxygen in electrochemical ozone generation at Ni and Sb co-doped SnO2 (NATO) anodes was strongly suggested by this work.

A new Ti-Zr-Hf-Cu-Ni-Si-Sn bulk amorphous alloy with high glass-forming ability

International Nuclear Information System (INIS)

Huang, Y.J.; Shen, J.; Sun, J.F.; Yu, X.B.

2007-01-01

The effect of Sn substitution for Cu on the glass-forming ability was investigated in Ti 41.5 Zr 2.5 Hf 5 Cu 42.5-x Ni 7.5 Si 1 Sn x (x = 0, 1, 3, 5, 7) alloys by using differential scanning calorimetry (DSC) and X-ray diffractometry. The alloy containing 5% Sn shows the highest glass-forming ability (GFA) among the Ti-Zr-Hf-Cu-Ni-Si-Sn system. Fully amorphous rod sample with diameters up to 6 mm could be successfully fabricated by the copper mold casting Ti 41.5 Zr 2.5 Hf 5 Cu 37.5 Ni 7.5 Si 1 Sn 5 alloy. The activation energies for glass transition and crystallization for Ti 41.5 Zr 2.5 Hf 5 Cu 37.5 Ni 7.5 Si 1 Sn 5 amorphous alloy are both larger than those values for the Sn-free alloy. The enhancement in GFA and thermal stability after the partial replacement of Cu by Sn may be contributed to the strong atomic bonding nature between Ti and Sn and the increasing of atomic packing density. The amorphous Ti 41.5 Zr 2.5 Hf 5 Cu 37.5 Ni 7.5 Si 1 Sn 5 alloy also possesses superior mechanical properties

Quaternary chalcogenides La{sub 3}Sn{sub 0.5}InS{sub 7} and La{sub 3}Sn{sub 0.5}InSe{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Iyer, Abishek K.; Lee, Emma J.; Bernard, Guy M.; Michaelis, Vladimir K.; Mar, Arthur [Department of Chemistry, University of Alberta, Edmonton, AB (Canada); Yin, Wenlong [Department of Chemistry, University of Alberta, Edmonton, AB (Canada); Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang (China)

2017-12-13

The quaternary chalcogenides La{sub 3}Sn{sub 0.5}InS{sub 7} and La{sub 3}Sn{sub 0.5}InSe{sub 7} were prepared by reactions of the elements at 1050 C and 950 C, respectively. They adopt noncentrosymmetric structures [hexagonal, space group P6{sub 3}, Z = 2; a = 10.2993(11) Aa, c = 6.0921(6) Aa for La{sub 3}Sn{sub 0.5}InS{sub 7}; a = 10.6533(7) Aa, c = 6.4245(4) Aa for La{sub 3}Sn{sub 0.5}InSe{sub 7}] in which the half-occupancy of Sn atoms within octahedral sites classifies them as belonging to the La{sub 3}Mn{sub 0.5}SiS{sub 7}-type branch of the large family of quaternary rare-earth chalcogenides RE{sub 3}M{sub 1-x}M{sup '}Ch{sub 7}. The site distribution in La{sub 3}Sn{sub 0.5}InCh{sub 7}, with higher-valent Sn atoms occupying octahedral instead of tetrahedral sites, is reversed from the typical situation observed in other RE{sub 3}M{sub 1-x}M{sup '}Ch{sub 7} compounds. The ordered distribution of Sn atoms in octahedral sites and In atoms in tetrahedral sites was evaluated by bond valence sum analyses. Moreover, {sup 119}Sn solid-state nuclear magnetic resonance (NMR) spectroscopy confirms the occupation of Sn{sup 4+} species exclusively within octahedral sites. An optical bandgap of 1.45 eV was found for La{sub 3}Sn{sub 0.5}InS{sub 7}. Band structure calculations on an ordered superstructure model of La{sub 3}Sn{sub 0.5}InS{sub 7} reveal that avoidance of strongly Sn-S antibonding levels is an important driving force for the Sn deficiency. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Carbon-supported PdM (M = Au and Sn) nanocatalysts for the electrooxidation of ethanol in high pH media

Energy Technology Data Exchange (ETDEWEB)

He, Qinggang; Mukerjee, Sanjeev [Department of Chemistry and Chemical Biology, Northeastern University, 360 Huntington Avenue, Boston, MA 02115 (United States); Chen, Wei; Chen, Shaowei [Department of Chemistry and Biochemistry, University of California, 1156 High Street, Santa Cruz, CA 95064 (United States); Laufek, Frantisek [Czech Geological Survey (Czech Republic)

2009-02-15

Carbon-supported Pd{sub 4}Au- and Pd{sub 2.5}Sn-alloyed nanoparticles were prepared by a chemical reduction method, and characterized by a wide array of experimental techniques including mass spectrometry, transmission electron microscopy, and X-ray diffraction spectroscopy. Ethanol electrooxidation on the as-synthesized catalysts and commercial Pt/C was then investigated and compared in alkaline media by cyclic voltammetry, chronoamperometry, and electrochemical impedance spectroscopy studies at room temperature. Voltammetric and chronoamperometric measurements showed higher current density and longer term stability in ethanol oxidation with the palladium alloy nanocatalysts than with the commercial one. Electrochemical impedance spectroscopy and Tafel plots were employed to examine the charge-transfer kinetics of ethanol electrooxidation. The results suggest that whereas the reaction kinetics might be somewhat more sluggish on the Pd-based alloy catalysts than on commercial Pt/C, the former appeared to have a higher tolerance to surface poisoning. Overall, the Pd-based alloy catalysts represent promising candidates for the electrocatalytic oxidation of ethanol, and Pd{sub 4}Au/C displays the best catalytic activity among the series for the ethanol oxidation in alkaline media. (author)

Synthesis and molecular structures of niobocene derivatives containing Nb-Sn-Nb metallochain

International Nuclear Information System (INIS)

Skripkin, Yu.V.; Volkov, O.G.; Pasynskij, A.A.

1985-01-01

The [Cp 2 Nb(CO)] 2 SnCl 2 (1) complex is synthesized in the form of crystals with 63% yield by the Cp 2 Nb(CO)H reaction wih SnCl 4 in THF in the presence of Et 3 N. The complex 1 is also prepared by interaction of Cp 2 Nb(CO)H with Cp 2 Nb(CO)SnCl 3 with 16% yield. The crystalline more sluble analog [(CH 3 C 5 H 4 ) 2 Nb(CO)] 2 ShCl 2 (2) is extracted, which contains the chain of Nb-Sn-Nb with short Nb-Sn(2.840)2)A bonds and 140.69(5) deg angle between them. The (Cp 2 NbH) 2 Sn(Cl)Et (3) complex is prepared wih 12% yield, possessing the structure analogous to type 2. In 3 each fragment CpNb is connected with the terminal hydride (Nb-H, 1.66(1) and 1.69(1)A) atom forms shortened bond with tin atom Nb-Sn 2.868(1) and 2.856(1) A, NbSnNb angle is 129.44(5)

Gold chloride clusters with Au(III) and Au(I) probed by FT-ICR mass spectrometry and MP2 theory.

Science.gov (United States)

Lemke, Kono H

2014-05-07

Microsolvated clusters of gold chloride are probed by electrospray ionization mass spectrometry (ESI-MS) and scalar relativistic electronic structure calculations. Electrospray ionization of aqueous AuCl3 leads to mononuclear clusters of types [AuCl2](+)(H2O)n (n = 0-4), [AuOHCl](+)(H2O)n (n = 0-1) and [AuCl2](+)(HCl)2(H2O)n (n = 0-4). In addition, strong ion signals due to dinuclear [Au2Cl5-xOHx](+)(H2O)n (x = 0-1) are present in ESI mass spectra of aqueous AuCl3, with the abundance of individual dinuclear species controlled by the concentration-dependent variation of the precursor complexes [AuCl2-xOHx](+)(H2O)n and AuCl3. Equilibrium structures, energies and thermodynamic properties of mono- and dinuclear gold clusters have been predicted using MP2 and CCSD(T) theory, and these data have been applied to examine the influence of microsolvation on cluster stability. Specifically, results from CCSD(T) calculations indicate that non-covalently bound ion-neutral complexes Au(+)(Cl2)(H2O)n, with formal Au(I), are the dominant forms of mononuclear gold with n = 0-2, while higher hydrates (n > 2) are covalently bound [AuCl2](+)(H2O)n complexes in which gold exists as Au(III). MP2 calculations show that the lowest energy structure of dinuclear gold is an ion-molecule cluster [Au2Cl(Cl2)2](+) consisting of a single-bridged digold-chloronium ion bound end-on to two dichlorine ligands, with two higher energy isomers, single-bridged [Au2Cl3(Cl2)](+) and double-bridged [Au2Cl5](+) clusters. Finally, AuAu interactions in the singly-bridged clusters [Au2Cl(Cl2)2](+)(H2O)n and [Au2Cl3(Cl2)](+)(H2O)n are examined employing a wide range of computational tools, including natural bond order (NBO) analysis and localized orbital locator (LOL) profiles.

The mystery of gold's chemical activity: local bonding, morphology and reactivity of atomic oxygen.

Science.gov (United States)

Baker, Thomas A; Liu, Xiaoying; Friend, Cynthia M

2011-01-07

Recently, gold has been intensely studied as a catalyst for key synthetic reactions. Gold is an attractive catalyst because, surprisingly, it is highly active and very selective for partial oxidation processes suggesting promise for energy-efficient "green" chemistry. The underlying origin of the high activity of Au is a controversial subject since metallic gold is commonly thought to be inert. Herein, we establish that one origin of the high activity for gold catalysis is the extremely reactive nature of atomic oxygen bound in 3-fold coordination sites on metallic gold. This is the predominant form of O at low concentrations on the surface, which is a strong indication that it is most relevant to catalytic conditions. Atomic oxygen bound to metallic Au in 3-fold sites has high activity for CO oxidation, oxidation of olefins, and oxidative transformations of alcohols and amines. Among the factors identified as important in Au-O interaction are the morphology of the surface, the local binding site of oxygen, and the degree of order of the oxygen overlayer. In this Perspective, we present an overview of both theory and experiments that identify the reactive forms of O and their associated charge density distributions and bond strengths. We also analyze and model the release of Au atoms induced by O binding to the surface. This rough surface also has the potential for O(2) dissociation, which is a critical step if Au is to be activated catalytically. We further show the strong parallels between product distributions and reactivity for O-covered Au at low pressure (ultrahigh vacuum) and for nanoporous Au catalysts operating at atmospheric pressure as evidence that atomic O is the active species under working catalytic conditions when metallic Au is present. We briefly discuss the possible contributions of oxidants that may contain intact O-O bonds and of the Au-metal oxide support interface in Au catalysis. Finally, the challenges and future directions for fully

Dynamic breaking of a single gold bond

DEFF Research Database (Denmark)

Pobelov, Ilya V.; Lauritzen, Kasper Primdal; Yoshida, Koji

2017-01-01

While one might assume that the force to break a chemical bond gives a measure of the bond strength, this intuition is misleading. If the force is loaded slowly, thermal fluctuations may break the bond before it is maximally stretched, and the breaking force will be less than the bond can sustain...... of a single Au-Au bond and show that the breaking force is dependent on the loading rate. We probe the temperature and structural dependencies of breaking and suggest that the paradox can be explained by fast breaking of atomic wires and slow breaking of point contacts giving very similar breaking forces....

An Accurate Redetermination of the $^{118}Sn$ Binding Energy

CERN Document Server

Borzakov, S B; Faikow-Stanczyk, H; Grigoriev, Yu V; Panteleev, T; Pospísil, S; Smotritsky, L M; Telezhnikov, S A

2001-01-01

The energy of well-known strong {gamma}-line from {{^198}Au}, the "gold standard", has been modified in the light of new adjustments in the fundamental constants and the value of 411.80176(12) keV was determined which is 0.29 eV lower than the latest 1999 value. An energy calibration procedure for determining the neutron binding energy, {B_n}, from complicated {(n , gamma)}-spectra has been developed. A mathematically simple minimization function consisting only of terms having as parameters the coefficients of the energy calibration curve (polynomial) is used. A priori information about the relationships among the energies of different peaks on the spectrum is taking into account by a Monte Carlo simulation. The procedure was used in obtaining of {B_n} for {{^118}Sn} and {{^64}Cu}. The {gamma}-ray spectrum from thermal neutron radiative capture by {{^117}Sn} has been measured on the IBR-2 pulsed reactor. {gamma}-rays were detected by a 72 cm^3 HPGe-detector. {B_n} for {{^64}Cu} was obtained from two {gamma}-...

Radio observations reveal a smooth circumstellar environment around the extraordinary type Ib supernova 2012au

Energy Technology Data Exchange (ETDEWEB)

Kamble, Atish; Soderberg, Alicia M.; Margutti, Raffaella; Milisavljevic, Dan; Chakraborti, Sayan; Dittmann, Jason; Drout, Maria; Sanders, Nathan [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Chomiuk, Laura [Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Medvedev, Mikhail [The Department of Physics and Astronomy, University of Kansas, Lawrence, KS 66045 (United States); Chevalier, Roger [Department of Astronomy, University of Virginia, P.O. Box 400325, Charlottesville, VA 22904-4325 (United States); Chugai, Nikolai [Institute of Astronomy, Russian Academy of Sciences, Pyatnitskaya 48, 109017 Moscow (Russian Federation); Fransson, Claes [Department of Astronomy, The Oskar Klein Centre, Stockholm University, AlbaNova University Centre, SE-106 91 Stockholm (Sweden); Nakar, Ehud, E-mail: atish.vyas@gmail.com [Raymond and Beverly Sackler School of Physics and Astronomy, Tel Aviv University, Tel Aviv 69978 (Israel)

2014-12-10

We present extensive radio and X-ray observations of SN 2012au, an energetic, radio-luminous supernova of Type Ib that exhibits multi-wavelength properties bridging subsets of hydrogen-poor superluminous supernovae, hypernovae, and normal core-collapse supernovae. The observations closely follow models of synchrotron emission from a shock-heated circumburst medium that has a wind density profile (ρ∝r {sup –2}). We infer a sub-relativistic velocity for the shock wave v ≈ 0.2 c and a radius of r ≈ 1.4 × 10{sup 16}cm at 25 days after the estimated date of explosion. For a wind velocity of 1000 km s{sup –1}, we determine the mass-loss rate of the progenitor to be M-dot =3.6×10{sup −6} M{sub ⊙} yr{sup −1}, consistent with the estimates from X-ray observations. We estimate the total internal energy of the radio-emitting material to be E ≈ 10{sup 47} erg, which is intermediate to SN 1998bw and SN 2002ap. The evolution of the radio light curve of SN 2012au is in agreement with its interaction with a smoothly distributed circumburst medium and the absence of stellar shells ejected from previous outbursts out to r ≈ 10{sup 17} cm from the supernova site. We conclude that the bright radio emission from SN 2012au was not dissimilar from other core-collapse supernovae despite its extraordinary optical properties, and that the evolution of the SN 2012au progenitor star was relatively quiet, marked with a steady mass loss, during the final years preceding explosion.

Bonding and M?ssbauer Isomer Shifts in (Tl,Pb) - 1223 Cuprate

Institute of Scientific and Technical Information of China (English)

无

2002-01-01

By using the chemical bond theory of dielectric description,the chemical bond parameters of (Tl,Pb) - 1223 was calculated.The results show that the Sr-O,Tl-O,and Ca-O types of bond have higher ionic character and the Cu-O types of bond have more covalent character.M?ssbauer isomer shifts of 57Fe and 119Sn doped in (Tl,Pb) -1223 were calculated by using the chemical environmental factor,he,defined by covalency and electronic polarizability.Four valence state tin and three valence iron sites were identified in 57Fe,and 119Sn doped (Tl,Pb) -1223 superconductor.We conclude that all of the Fe atoms substitute the Cu at square planar Cu (1) site,whereas Sn prefers to substitute the square pyramidal Cu (2) site.

Wafer level hermetic packaging based on Cu-Sn isothermal solidification technology

International Nuclear Information System (INIS)

Cao Yuhan; Luo Le

2009-01-01

A novel wafer level bonding method based on Cu-Sn isothermal solidification technology is established. A multi-layer sealing ring and the bonding processing are designed, and the amount of solder and the bonding parameters are optimized based on both theoretical and experimental results. Verification shows that oxidation of the solder layer, voids and the scalloped-edge appearance of the Cu 6 Sn 5 phase are successfully avoided. An average shear strength of 19.5 MPa and an excellent leak rate of around 1.9 x 10 -9 atm cc/s are possible, meeting the demands of MIL-STD-883E. (semiconductor technology)

Electron microscopy characterization of a molybdenum diffusion barrier in metallizations for chip carriers

International Nuclear Information System (INIS)

He Anqiang; Ivey, Douglas G.

2004-01-01

Mo layers have been studied as potential diffusion barriers for Au-Sn solder bonds in micro/optoelectronic device packaging. Solder was electroplated as alternating AuSn and Au 5 Sn multi-layers on wafers covered with Ti as an adhesion layer, followed by Mo as the diffusion barrier and Au as a capping layer. Samples were annealed at 340-420 deg. C for as long as 20 min. Scanning and transmission electron microscopy (SEM and TEM) were utilized to characterize interfacial reactions. Mo was found to be metallurgically stable, relative to the Au-Sn solder and the other metallization components, at temperatures up to at least 420 deg. C. However, the effectiveness of Mo as a barrier can be compromised by two factors. One of these is related to surface roughness associated with AlN or Al 2 O 3 carriers. Non-uniform metallization coverage can lead to breaks in the Mo barrier, resulting in contact between the carrier and molten solder during bonding applications. In addition, thermal stresses generated during heating and cooling can lead to cracking and spalling of the Mo and adhesion layers, exposing the carrier material to molten solder. Pre-annealing can help to relieve the thermal stresses and prevent spalling

CO oxidation on Alsbnd Au nano-composite systems

Science.gov (United States)

Rajesh, C.; Majumder, C.

2018-03-01

Using first principles method we report the CO oxidation behaviour of Alsbnd Au nano-composites in three different size ranges: Al6Au8, Al13Au42 and a periodic slab of Alsbnd Au(1 1 1) surface. The clusters prefer enclosed structures with alternating arrangement of Al and Au atoms, maximising Auδ-sbnd Alδ+ bonds. Charge distribution analysis suggests the charge transfer from Al to Au atoms, corroborated by the red shift in the density of states spectrum. Further, CO oxidation on these nano-composite systems was investigated through both Eley - Rideal and Langmuir Hinshelwood mechanism. While, these clusters interact with O2 non-dissociatively with an elongation of the Osbnd O bond, further interaction with CO led to formation of CO2 spontaneously. On contrary, the CO2 evolution by co-adsorption of O2 and CO molecules has a transition state barrier. On the basis of the results it is inferred that nano-composite material of Alsbnd Au shows significant promise toward effective oxidative catalysis.

The Krásná Hora, Milešov, and Příčovy Sb-Au ore deposits, Bohemian Massif: mineralogy, fluid inclusions, and stable isotope constraints on the deposit formation

Science.gov (United States)

Němec, Matěj; Zachariáš, Jiří

2018-02-01

The Krásná Hora-Milešov and Příčovy districts (Czech Republic) are the unique examples of Sb-Au subtype orogenic gold deposits in the Bohemian Massif. They are represented by quartz-stibnite veins and massive stibnite lenses grading into low-grade, disseminated ores in altered host rocks. Gold postdates the stibnite and is often replaced by aurostibite. The ore zones are hosted by hydrothermally altered dikes of lamprophyres (Krásná Hora-Milešov) or are associated with local strike-slip faults (Příčovy). Formation of Sb-Au deposits probably occurred shortly after the main gold-bearing event (348-338 Ma; Au-only deposits) in the central part of the Bohemian Massif. Fluid inclusion analyses suggest that stibnite precipitated at 250 to 130 °C and gold at 200 to 130 °C from low-salinity aqueous fluids. The main quartz gangue hosting the ore precipitated from the same type of fluid at about 300 °C. Early quartz-arsenopyrite veins are not associated with the Sb-Au deposition and formed from low-salinity, aqueous-carbonic fluid at higher pressure and temperature ( 250 MPa, 400 °C). The estimated oxygen isotope composition of the ore-bearing fluid (4 ± 1‰ SMOW; based on post-ore calcite) suggests its metamorphic or mixed magmatic-metamorphic origin and excludes the involvement of meteoric water. Rapid cooling of warm hydrothermal fluids reacting with "cold" host rock was probably the most important factor in the formation of both stibnite and gold.

Topological surface Fermi arcs in the magnetic Weyl semimetal Co3Sn2S2

Science.gov (United States)

Xu, Qiunan; Liu, Enke; Shi, Wujun; Muechler, Lukas; Gayles, Jacob; Felser, Claudia; Sun, Yan

2018-06-01

Very recently, the half-metallic compound Co3Sn2S2 was proposed to be a magnetic Weyl semimetal (WSM) with Weyl points only 60 meV above the Fermi level EF. Owing to the low charge carrier density and large Berry curvature induced, Co3Sn2S2 possesses both a large anomalous Hall conductivity and a large anomalous Hall angle, which provide strong evidence for the existence of Weyl points in Co3Sn2S2 . In this work, we theoretically study the surface topological feature of Co3Sn2S2 and its counterpart Co3Sn2Se2 . By cleaving the sample at the weak Sn-S/Se bonds, one can achieve two different surfaces terminated with Sn and S/Se atoms, respectively. The resulting Fermi-arc-related states can range from the energy of the Weyl points to EF-0.1 eV in the Sn-terminated surface. Therefore, it should be possible to observe the Fermi arcs in angle-resolved photoemission spectroscopy (ARPES) measurements. Furthermore, in order to simulate quasiparticle interference in scanning tunneling microscopy (STM) measurements, we also calculate the joint density of states for both terminals. This work should be helpful for a comprehensive understanding of the topological properties of these two magnetic WSMs and further ARPES and STM measurements.

Effects of Ni{sub 3}Sn{sub 4} and (Cu,Ni){sub 6}Sn{sub 5} intermetallic layers on cross-interaction between Pd and Ni in solder joints

Energy Technology Data Exchange (ETDEWEB)

Baek, Yong-Ho [Department of Materials Science and Engineering, Korea University, Seoul 136-713 (Korea, Republic of); Division of Advanced Circuit Interconnect, Samsung Electro-Mechanics Co., Ltd., Suwon 443-743 (Korea, Republic of); Chung, Bo-Mook [Department of Materials Science and Engineering, Korea University, Seoul 136-713 (Korea, Republic of); Department of Research and Development, KPM TECH, Ansan 425-090 (Korea, Republic of); Choi, Young-Sik [Division of Advanced Circuit Interconnect, Samsung Electro-Mechanics Co., Ltd., Suwon 443-743 (Korea, Republic of); Choi, Jaeho [Department of Advanced Metal and Materials Engineering, Gangneung-Wonju National University, Gangneung 210-702 (Korea, Republic of); Huh, Joo-Youl, E-mail: jyhuh@korea.ac.kr [Department of Materials Science and Engineering, Korea University, Seoul 136-713 (Korea, Republic of)

2013-12-05

Highlights: •Ni{sub 3}Sn{sub 4} acts as a source of Ni atoms, leading to a strong cross-interaction with Pd. •(Cu,Ni){sub 6}Sn{sub 5} is an effective Ni diffusion barrier, inhibiting Pd resettlement. •Dissolution kinetics of (Pd,Ni)Sn{sub 4} was interpreted based on the Sn–Ni–Pd isotherm. •Cu addition to solder alleviates the (Pd,Ni)Sn{sub 4}-related risk of reliability deterioration. -- Abstract: We examined the effects of layers of intermetallic compound (IMC) Ni{sub 3}Sn{sub 4} and (Cu,Ni){sub 6}Sn{sub 5} formed at the solder/Ni interface, on the cross-interactions between Pd and Ni during solid-state aging and reflow soldering. Two types of diffusion couples, Pd/Sn/Ni and Pd/Sn–Cu/Ni, were aged at 150 °C to study the solid-state interactions. In contrast to the Pd/Sn/Ni couples in which a Ni{sub 3}Sn{sub 4} layer formed at the Ni interface, the Pd/Sn–Cu/Ni couple where a (Cu,Ni){sub 6}Sn{sub 5} layer formed at the Ni interface exhibited no significant interaction between Pd and Ni. The (Cu,Ni){sub 6}Sn{sub 5} layer acted as an effective barrier against Ni diffusion and thus inhibited the resettlement of (Pd,Ni)Sn{sub 4} onto the Ni interface. For the interaction during reflow, Sn–3.5Ag and Sn–3.0Ag–0.5Cu solder balls were isothermally reflowed on an electroless Ni(P)/electroless Pd/immersion Au (ENEPIG) surface finish at 250 °C, and the dissolution kinetics of the (Pd,Ni)Sn{sub 4} particles converted from the 0.2-μm-thick Pd-finish layer were examined. The spalled (Pd,Ni)Sn{sub 4} particles very quickly dissolved into the molten solder when the IMC layer formed on the Ni substrate was (Cu,Ni){sub 6}Sn{sub 5} rather than Ni{sub 3}Sn{sub 4}. The dependence of the dissolution kinetics of the spalled (Pd,Ni)Sn{sub 4} particles on the IMC layers was rationalized on the basis of a Sn–Ni–Pd isotherm at 250 °C. The present study suggests that the formation of a dense (Cu,Ni){sub 6}Sn{sub 5} layer at the solder/Ni interface can effectively

Bonding and Moessbauer Isomer Shifts in （Hg,Pb）—1223 Cuprate

Institute of Scientific and Technical Information of China (English)

高发明; 田永君; 谌岩; 李东春; 董海峰; 张思远

2003-01-01

By using the chemical bond theory of dielectric description,the chemical bond parameters of(Hg,Pb)-1223 were calculated.The results show that the(Ba,Sr)-O and Ca-0 types of bond have higher ionic character,while the Cu-O and(Hg,Pb)-0 types of bond have more covalent character.Moessbauer isomer shifts of 57Fe and 119Sn doped in(Hg,Pb)-1223 were calculated by using the chemical environmental factor,he,defined by covalency and electronic polarizability.Four valence state tin and three valence iron sites were identified in 57Fe and 119Sn doped(Hg,Pb)-1223 superconductor.It can be concluded that all of the Fe atoms substitute the Cu at square planar Cu(1) site,Whereas Sn prefers to substitute the square pyramidal Cu(2) site.

SORPTION OF Au(III BY Saccharomyces cerevisiae BIOMASS

Directory of Open Access Journals (Sweden)

Amaria Amaria

2010-07-01

Full Text Available Au(III sorption by S. cerevisiae biomass extracted from beer waste industry was investigated. Experimentally, the sorption was conducted in batch method. This research involved five steps: 1 identification the functional groups present in the S. cerevisiae biomass by infrared spectroscopic technique, 2 determination of optimum pH, 3 determination of the sorption capacity and energy, 4 determination of the sorption type by conducting desorption of sorbed Au(III using specific eluents having different desorption capacity such as H2O (van der Waals, KNO3 (ion exchange, HNO3 (hydrogen bond, and tiourea (coordination bond, 5 determination of effective eluents in Au(III desorption by partial desorption of sorbed Au(III using thiourea, NaCN and KI. The remaining Au(III concentrations in filtrate were analyzed using Atomic Absorption Spectrophotometer. The results showed that: 1 Functional groups of S. cerevisiae biomass that involved in the sorption processes were hydroxyl (-OH, carboxylate (-COO- and amine (-NH2, 2 maximum sorption was occurred at pH 4, equal to 98.19% of total sorption, 3 The sorption capacity of biomass was 133.33 mg/g (6.7682E-04 mol/g and was involved sorption energy 23.03 kJ mol-1, 4 Sorption type was dominated by coordination bond, 5 NaCN was effective eluent to strip Au(III close to 100%.   Keywords: sorption, desorption, S. cerevisiae biomass, Au(III

Intercalation of organic molecules into SnS{sub 2} single crystals

Energy Technology Data Exchange (ETDEWEB)

Toh, M.L.; Tan, K.J.; Wei, F.X.; Zhang, K.K.; Jiang, H. [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Ave., Singapore 639798 (Singapore); Kloc, C., E-mail: ckloc@ntu.edu.sg [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Ave., Singapore 639798 (Singapore)

2013-02-15

SnS{sub 2} is a layered semiconductor with a van der Waals gap separating the covalently bonded layers. In this study, post-synthesis intercalation of donor organic amine molecules, such as ethylenediamine (en), into tin disulfide and secondary intercalation of p-phenylenediamine (PPD) and 1, 5-naphthalenediamine (NDA) into SnS{sub 2e}n have been verified with X-ray diffraction. PPD and NDA did not intercalate directly even during prolonged annealing but replaced en readily if en was already present in the van der Waals gap. The c-lattice dilation is proportional to the intercalant size. Unit cell lattices of intercalated products were determined from the positions of the X-ray diffraction peaks. Optical images taken during the intercalation showed that intercalation progressed from the periphery towards the interior of the crystal. TEM diffraction patterns in the [0 0 1] direction of SnS{sub 2} after intercalation revealed defects and stacking mismatches among the SnS{sub 2} layers caused by the intercalation. UV-Vis absorption studies showed a red shift in the band edge of the SnS{sub 2} material after intercalation. The band edge was 2.2 eV for pristine SnS{sub 2}; after intercalation with en or PPD, the absorbance spectra band edges shifted to approximately 0.7 eV or 0.5 eV, respectively. - Graphical Abstract: SnS{sub 2} single crystals were intercalated with organic amine molecules such as ethylenediamine, phenylenediamine and naphthalenediamine. Absorption studies showed red shift of band edge after intercalation, which was consistent with optical observations. X-ray diffraction indicated lattice dilation in the c-lattice of SnS{sub 2} after intercalation. Highlights: Black-Right-Pointing-Pointer Organic molecules intercalated inhomogenously between covalently bonded SnS{sub 2} layers. Black-Right-Pointing-Pointer Ethylenediamine (en) intercalate directly into SnS{sub 2}. Black-Right-Pointing-Pointer Phenylenediamine (PPD) and naphthalenediamine (NDA) can be

119Sn MAS NMR Study of Probe Molecules Interaction with Sn-BEA: The Origin of Penta- and Hexacoordinated Tin Formation

DEFF Research Database (Denmark)

Yakimov, Alexander V.; G. Kolyagin, Yury; Tolborg, Søren

2016-01-01

and weak Lewis acidity, respectively. The adsorption of acetonitrile and methanol resulted in observation of pentacoordinated tin species, due to the formation of 1:1 adsorption complexes over both Sn-sites. Water adsorption led first to formation of pentacoordinated tin species, which were further...... by the formation of pentacoordinated Sn species in the case of weak sites and hexacoordinated Sn over sites with strong Lewis acidity, pointing to the possibility of dissociative adsorption of secondary alcohols over strong Sn-sites....

Determination of a new structure type in the Sc–Fe–Ge–Sn system

International Nuclear Information System (INIS)

Brgoch, Jakoah; Ran, Sheng; Thimmaiah, Srinivasa; Canfield, Paul C.; Miller, Gordon J.

2013-01-01

Highlights: ► A new structure type with the composition Sc 4 Fe 5 Ge 6.10(3) Sn 1.47(2) . ► Crystallizes in the space group Immm (No. 71, oI144). ► Sample obtained using a reactive Sn flux. ► Electronic structure calculations indicate polar intermetallic bonding network. - Abstract: A new structure type has been discovered in the system Sc–Fe–Ge–Sn by employing Sn as a flux medium. According to single crystal X-ray diffraction, the new structure has a composition of Sc 4 Fe 5 Ge 6.10(3) Sn 1.47(2) and crystallizes in the space group Immm (No. 71, oI144) with lattice parameters of a = 5.230(1) Å, b = 13.467(3) Å, and c = 30.003(6) Å. The structure is composed of square anti-prismatic clusters that are condensed into zig-zag chains along the [0 1 0] direction. These chains are further condensed through a split Sn/Ge position, forming a three-dimensional network. Magnetization measurements indicate an antiferromagnetic phase transition near 240 K. Electronic structure calculations identified the most favorable bonding network in this new system. Using crystal orbital Hamilton population (COHP) curves and their integrated values (ICOHP), a polar intermetallic bonding network involving Sc–Ge as well as Fe–Sn and Fe–Ge contacts can be assigned to this new structure type.

Systematics of Structural, Phase Stability, and Cohesive Properties of η'-Cu6(Sn,In)5 Compounds Occurring in In-Sn/Cu Solder Joints

Science.gov (United States)

Ramos, S. B.; González Lemus, N. V.; Deluque Toro, C. E.; Cabeza, G. F.; Fernández Guillermet, A.

2017-07-01

Motivated by the high solubility of In in ( mC44) η'-Cu6Sn5 compound as well as the occurrence of an In-doped η'-intermetallic in the microstructure of Cu/In-Sn/Cu solder joints, a theoretical study has been carried out to investigate the various physical effects of incorporating In at Sn Wyckoff sites of the binary η'-phase. Systematic ab initio calculations using the projected augmented wave method and Vienna Ab initio Simulation Package were used to determine the composition dependence of the structural and cohesive properties of η'-Cu6(Sn,In)5 compounds, compared with those expected from the binary end-member compounds Cu6Sn5 and Cu6In5. The molar volume shows significant deviations from Vegard's law. The predicted composition dependence of the cohesive properties is discussed using two complementary approaches, viz. a valence-electron density approach as well as a bond-number approach, both accounting for the roughly linear dependence of the cohesive energy on the In content. A microscopic interpretation for this general trend is given in terms of the key contributions to chemical bonding in this class of compounds, namely Cu d-electron overlap and hybridization of Cu d-states with In and Sn p-electron states. Moreover, a crystallographic site approach is developed to accurately establish the phase-stabilizing effect of incorporating In at specific Wyckoff positions of the ( mC44) η'-Cu6Sn5 structure.

The point-defect of carbon nanotubes anchoring Au nanoparticles

DEFF Research Database (Denmark)

Lv, Y. A.; Cui, Y. H.; Li, X. N.

2010-01-01

The understanding of the interaction between Au and carbon nanotubes (CNTs) is very important since Au/CNTs composites have wide applications in many fields. In this study, we investigated the dispersion of Au nanoparticles on the CNTs by transmission electron microscopy and the bonding mechanism...

Using a Full Complex Site Transfer Function to Estimate Strong Ground Motion in Port-au-Prince (Haiti).

Science.gov (United States)

ST Fleur, S.; Courboulex, F.; Bertrand, E.; Mercier De Lepinay, B. F.; Hough, S. E.; Boisson, D.; Momplaisir, R.

2017-12-01

To assess the possible impact of a future earthquake in the urban area of Port-au-Prince (Haiti), we have implemented a simulation approach for complex ground motions produced by an earthquake. To this end, we have integrated local site effect in the prediction of strong ground motions in Port-au-Prince using the complex transfer functions method, which takes into account amplitude changes as well as phase changes. This technique is particularly suitable for basins where a conventional 1D digital approach proves inadequate, as is the case in Port-au-Prince. To do this, we use the results of the Standard Spectral Ratio (SSR) approach of St Fleur et al. (2016) to estimate the amplitude of the response of the site to a nearby rock site. Then, we determine the phase difference between sites, interpreted as changes in the phase of the signal related to local site conditions, using the signals of the 2010 earthquake aftershocks records. Finally, the accelerogram of the simulated earthquake is obtain using the technique of the inverse Fourier transform. The results of this study showed that the strongest soil motions are expected in neighborhoods of downtown Port-au-Prince and adjacent hills. In addition, this simulation method by complex transfer functions was validated by comparison with recorded actual data. Our simulated response spectra reproduce very well both the amplitude and the shape of the response spectra of recorded earthquakes. This new approach allowed to reproduce the lengthening of the signal that could be generated by surface waves at certain stations in the city of Port-au-Prince. However, two points of vigilance must be considered: (1) a good signal-to-noise ratio is necessary to obtain a robust estimate of the site-reference phase shift (ratio at least equal to 10); (2) unless the amplitude and phase changes are measured on strong motion records, this technique does not take non-linear effects into account.

A new Ti-Zr-Hf-Cu-Ni-Si-Sn bulk amorphous alloy with high glass-forming ability

Energy Technology Data Exchange (ETDEWEB)

Huang, Y.J. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Shen, J. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China)]. E-mail: junshen@hit.edu.cn; Sun, J.F. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Yu, X.B. [Lab of Energy Science and Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China)]. E-mail: yuxuebin@hotmail.com

2007-01-16

The effect of Sn substitution for Cu on the glass-forming ability was investigated in Ti{sub 41.5}Zr{sub 2.5}Hf{sub 5}Cu{sub 42.5-x}Ni{sub 7.5}Si{sub 1}Sn {sub x} (x = 0, 1, 3, 5, 7) alloys by using differential scanning calorimetry (DSC) and X-ray diffractometry. The alloy containing 5% Sn shows the highest glass-forming ability (GFA) among the Ti-Zr-Hf-Cu-Ni-Si-Sn system. Fully amorphous rod sample with diameters up to 6 mm could be successfully fabricated by the copper mold casting Ti{sub 41.5}Zr{sub 2.5}Hf{sub 5}Cu{sub 37.5}Ni{sub 7.5}Si{sub 1}Sn{sub 5} alloy. The activation energies for glass transition and crystallization for Ti{sub 41.5}Zr{sub 2.5}Hf{sub 5}Cu{sub 37.5}Ni{sub 7.5}Si{sub 1}Sn{sub 5} amorphous alloy are both larger than those values for the Sn-free alloy. The enhancement in GFA and thermal stability after the partial replacement of Cu by Sn may be contributed to the strong atomic bonding nature between Ti and Sn and the increasing of atomic packing density. The amorphous Ti{sub 41.5}Zr{sub 2.5}Hf{sub 5}Cu{sub 37.5}Ni{sub 7.5}Si{sub 1}Sn{sub 5} alloy also possesses superior mechanical properties.

Evaluation of the liver scintigraphy with sup(99m)Tc-Sn-colloid, 1

International Nuclear Information System (INIS)

Kimura, Kazufumi; Kusumi, Yoshimi; Nishimura, Tsunehiko; Takeda, Hiroshi; Furukawa, Toshiyuki

1975-01-01

sup(99m)Tc-Sn-colloid, supplied by Dinabot Radioisotope Lab. in a kit ''Auto vial; Sn-colloid'', was compared with 198 Au-colloid as a liver scanning agent by the electrolysis method. The preparation procedure was short and very simple, and the labelling efficiency was more than 99.7% in the authors chromatographic studies. Sequential whole body and liver radioactivities after intravenous administration of sup(99m)Tc-Sn-colloid were measured for a period of 24 hours. Because radioactivity in the whole body and liver was diminished only by the decay of sup(99m)Tc. So, the excretion of sup(99m)Tc-Sn-colloid from the whole body and the liver was thought to be negligible. Phantom studies showed that tumor models of 2 cm in diameter in the superficial layers could be detected more cleary than those in the deep layers by using sup(99m)Tc-Sn-colloid. Using 2-3 mCi of sup(99m)Tc-Sn-colloid, a scintiphoto of 50,000 counts was taken in about ten seconds. So, it was possible to obtain motionless liver scintigrams with breath-holding. Blood disappearance curves of both colloids were measured by a scintillation counter and radioisotope accumulation curves in the liver and the spleen were measured by an Anger camera with data processing system. sup(99m)Tc-Sn-colloid was eliminated from the blood more rapidly than 198 Au-colloid and was accumulated in the liver more rapidly than 198 Au-colloid. The splenic uptake of the former exceeded that of the latter. As seen in these studies, the agents differ appreciably from each other in their behavior. These differences were discussed to be due to the character of the particle such as size, etc. And other reasons may lie in the differences of phagocytic activities of the liver and the spleen. (Evans, J.)

Current bonding systems for resin-bonded restorations and fixed partial dentures made of silver–palladium–copper–gold alloy

Directory of Open Access Journals (Sweden)

Hideo Matsumura

2011-02-01

Full Text Available This review article describes about the bonding systems for noble metal alloys, bonding techniques of restorations and fixed partial dentures (FPDs made of Ag–Pd–Cu–Au alloys, and their clinical performance. Thione monomers, 6-(4-vinylbenzyl-n-propyl amino-1,3,5-triazine-2,4-dithione (VTD, 6-methacryloyloxyhexyl-2-thiouracil-5-carboxylate (MTU-6, and 10-methacryloxydecyl 6,8-dithiooctanoate (MDDT, has been proved effective for bonding noble metal alloys. An acrylic adhesive consists of the tri-n-butylborane (TBB initiator, methyl methacrylate (MMA monomer liquid with 5% 4-methacryloyloxyethyl trimellitate anhydride (4-META, and poly(methyl methacrylate (PMMA, is being used for bonding metallic restorations to abutment surfaces. Clinical performance of restorations and FPDs made of Ag–Pd–Cu–Au alloys is overall excellent when they are seated with the currently available noble metal bonding systems.

Analyses of the Sn IX-Sn XII spectra in the EUV region

International Nuclear Information System (INIS)

Churilov, S S; Ryabtsev, A N

2006-01-01

The Sn IX-Sn XII spectra excited in a vacuum spark have been analysed in the 130-160 A wavelength region. The analysis was based on the energy parameter extrapolation in the isonuclear Sn VI-VIII and Sn XIII-XIV sequence. 266 spectral lines belonging to the 4d m -(4d m-1 4f+4p 5 4d m+1 ) (m=6-3) transition arrays were classified in the Sn IX-Sn XII spectra for the first time. All 18 level energies of the 4d 3 configuration and 39 level energies of the strongly interacting 4d 2 4f and 4p 5 4d 4 configurations were established in the Sn XII spectrum. The energy differences between the majority of the 4d m levels and about 40 levels of the 4d m-1 4f+4p 5 4d m+1 configurations were determined in each of the Sn IX, Sn X and Sn XI spectra (m=6-4). As a result, all intense lines were classified in the 130-140 A region relevant to the extreme ultraviolet (EUV) lithography. It was shown that the most of the intense lines in the 2% bandwidth at 135 A belong to the transitions in the Sn XI-Sn XIII spectra

Uptake of Au(III) Ions by Aluminum Hydroxide and Their Spontaneous Reduction to Elemental Gold (Au(0)).

Science.gov (United States)

Yokoyama; Matsukado; Uchida; Motomura; Watanabe; Izawa

2001-01-01

The behavior of AuCl(4)(-) ions during the formation of aluminum hydroxide at pH 6 was examined. With an increase in NaCl concentration, the content of gold taken up by aluminum hydroxide decreased, suggesting that chloro-hydroxy complexes of Au(III) ion were taken up due to the formation of Al-O-Au bonds. It was found unexpectedly that the Au(III) ions taken up were spontaneously reduced to elemental gold without addition of a specific reducing reagent and then colloidal gold particles were formed. The mechanisms for the uptake of Au(III) ions by aluminum hydroxide and for their spontaneous reduction are discussed. Copyright 2001 Academic Press.

Determination of a new structure type in the Sc-Fe-Ge-Sn system

Energy Technology Data Exchange (ETDEWEB)

Brgoch, Jakoah [Department of Chemistry, Iowa State University, Ames, IA 50011 (United States); Ran, Sheng [Ames Laboratory, US Department of Energy, Ames, IA 50011 (United States); Department of Physics and Astronomy, Iowa State University, Ames, IA 50011 (United States); Thimmaiah, Srinivasa [Department of Chemistry, Iowa State University, Ames, IA 50011 (United States); Ames Laboratory, US Department of Energy, Ames, IA 50011 (United States); Canfield, Paul C. [Ames Laboratory, US Department of Energy, Ames, IA 50011 (United States); Department of Physics and Astronomy, Iowa State University, Ames, IA 50011 (United States); Miller, Gordon J., E-mail: gmiller@iastate.edu [Department of Chemistry, Iowa State University, Ames, IA 50011 (United States); Ames Laboratory, US Department of Energy, Ames, IA 50011 (United States)

2013-01-05

Highlights: Black-Right-Pointing-Pointer A new structure type with the composition Sc{sub 4}Fe{sub 5}Ge{sub 6.10(3)}Sn{sub 1.47(2)}. Black-Right-Pointing-Pointer Crystallizes in the space group Immm (No. 71, oI144). Black-Right-Pointing-Pointer Sample obtained using a reactive Sn flux. Black-Right-Pointing-Pointer Electronic structure calculations indicate polar intermetallic bonding network. - Abstract: A new structure type has been discovered in the system Sc-Fe-Ge-Sn by employing Sn as a flux medium. According to single crystal X-ray diffraction, the new structure has a composition of Sc{sub 4}Fe{sub 5}Ge{sub 6.10(3)}Sn{sub 1.47(2)} and crystallizes in the space group Immm (No. 71, oI144) with lattice parameters of a = 5.230(1) A, b = 13.467(3) A, and c = 30.003(6) A. The structure is composed of square anti-prismatic clusters that are condensed into zig-zag chains along the [0 1 0] direction. These chains are further condensed through a split Sn/Ge position, forming a three-dimensional network. Magnetization measurements indicate an antiferromagnetic phase transition near 240 K. Electronic structure calculations identified the most favorable bonding network in this new system. Using crystal orbital Hamilton population (COHP) curves and their integrated values (ICOHP), a polar intermetallic bonding network involving Sc-Ge as well as Fe-Sn and Fe-Ge contacts can be assigned to this new structure type.

A Transient Liquid Phase Sintering Bonding Process Using Nickel-Tin Mixed Powder for the New Generation of High-Temperature Power Devices

Science.gov (United States)

Feng, Hongliang; Huang, Jihua; Yang, Jian; Zhou, Shaokun; Zhang, Rong; Chen, Shuhai

2017-07-01

A transient liquid phase sintering (TLPS) bonding process, Ni-Sn TLPS bonding was developed for the new generation of power semiconductor packaging. A model Ni/Ni-Sn/Ni sandwiched structure was assembled by using 30Ni-70Sn mixed powder as the reactive system. The results show that the bonding layer is composed of Ni3Sn4 and residual fine Ni particles with a small amount of Ni3Sn2 at 340°C for 240 min, which has a heat-resistant temperature higher than 790°C. The microstructural evolution and thermal characteristic of the bonding layer for various times at 300°C and 340°C were also studied, respectively. This reveals that, after isothermally holding for 240 min at 300°C and for 180 min at 340°C, Sn has been completely transformed into Ni-Sn intermetallic compounds (IMCs) and the bonding layer is mainly composed of Ni3Sn4 and residual Ni particles. The analysis result for the mechanical properties of the joint shows that the hardness of the bonding layer at 340°C for 240 min is uniform and that the average value reaches 3.66 GPa, which is close to that of the Ni3Sn4 block material. The shear test shows that, as the holding time increases from 60 min to 180 min at 340°C, because of the existence of Sn, the disparity of shear strength between room temperature and 350°C is large. But when the holding time is 180 min or longer, Sn has been completely transformed into Ni-Sn IMCs. Their performances are very similar whether at room temperature or 350°C.

FT-IR spectroelectrochemical study of the reduction of 1,4-dinitrobenzene on Au electrode: Hydrogen bonding and protonation in proton donor mixed media

International Nuclear Information System (INIS)

Tian Dexiang; Jin Baokang

2011-01-01

Highlights: → 1,4-Dinitrobenzene electrochemical reduction on the Au electrode is explored. → Radical anion (PNB· - ) is found both in aprotic media and in proton donors mixed media. → The H-bonding forming between PNB· - , PNB 2- and proton donors in low donors concentration. → The protonation of PNB 2- occurs in high concentration proton donor mixed media. - Abstract: The electrochemical behavior of 1,4-dinitrobenzene (1,4-PNB) on the Au electrode was investigated by cyclic voltammetry (CV), in situ FT-IR spectroelectrochemistry, cyclic voltabsorptometry (CVA) and derivative cyclic voltabsorptometry (DCVA) techniques. In aprotic media, 1,4-dinitrobenzene is reversibly reduced in two-step one-electron transfer. A series of IR absorption bands at 1056, 1210, 1341, 1356, 1464 and 1549 cm -1 , tracing to PNB; PNB· - and PNB 2- are observed. In the presence of proton donors mixed media, with increasing concentrations of proton donors, hydrogen-bonding and protonation process are found successively. The values of combining proton donors with per PNB 2- to form hydrogen-bonding are estimated by using electrochemical parameters. The result of forming aromatic nitroso compound is supported by tracing the change of IR absorption bands at 1149 and 1587 cm -1 at high concentration of proton donors. Based on CVA and DCVA techniques, it is clearly distinguished that the mechanisms of electrochemical reduction of PNB are elaborated in different systems.

Coordination Chemistry of [E(Idipp)]2+ Ligands (E = Ge, Sn): Metal Germylidyne [Cp*(CO)2W≡Ge(Idipp)]+ and Metallotetrylene [Cp*(CO)3W–E(Idipp)]+ Cations

KAUST Repository

Lebedev, Yury

2017-04-12

The synthesis and full characterization of the NHC-stabilized tungstenochlorostannylene [Cp*(CO)3W–SnCl(Idipp)] (1Sn), the NHC-stabilized chlorogermylidyne complex [Cp*(CO)2W═GeCl(Idipp)] (2), the tungsten germylidyne complex salt [Cp*(CO)2W≡Ge(Idipp)][B(C6H3-3,5-(CF3)2)4] (3), and the cationic metallostannylene [Cp*(CO)3W–Sn(Idipp)][Al(OC(CF3)3)4] (4Sn) are reported (Idipp = 2,3-dihydro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2-ylidene, Cp* = η5-C5Me5). Metathetical exchange of SnCl2(Idipp) with Li[Cp*W(CO)3] afforded selectively 1Sn. Photolytic decarbonylation of the Ge analogue [Cp*(CO)3W–GeCl(Idipp)] (1Ge) afforded the NHC-stabilized chlorogermylidyne complex (2), featuring a trigonal-planar coordinated germanium center and a W–Ge double bond (W–Ge 2.3496(5) Å). Chloride abstraction from 2 with Na[B(C6H3-3,5-(CF3)2)4] yielded the germylidyne complex salt 3, which contains an almost linear W–Ge–C1 linkage (angle at Ge = 168.7(1)°) and a W–Ge triple bond (2.2813(4) Å). Chloride elimination from 1Ge afforded the tungstenogermylene salt [Cp*(CO)3W–Ge(Idipp)][B(C6H3-3,5-(CF3)2)4] (4Ge), which in contrast to 1Ge could not be decarbonylated to form 3 despite the less strongly bound carbonyl ligands. The tin compounds 1Sn and 4Sn did not afford products bearing multiple W–Sn bonds. Treatment of 4Ge with Me2NC≡CNMe2 yielded unexpectedly the neutral germyl complex 5 containing a pendant 1-germabicyclo-[3,2,0]-hepta-2,5-diene ligand instead of the anticipated [2 + 1]-cycloaddition product at the Ge-center.

Synthesis and characterization of some reduced ternary and quaternary molybdenum oxide phases with strong metal-metal bonds

International Nuclear Information System (INIS)

Lii, K.H.

1985-10-01

In the course of our research on reduced ternary and quaternary molybdenum oxides, very interesting compounds with strong metal-metal bonds were discovered. Among these solid-state materials are found discrete cluster arrays and structures with extended metal-metal bonding. Further study in this system has revealed that many new structures exist in this new realm. The synthesis, structures, bonding, and properties of these new oxides, which are briefly summarized in tabular form, are presented in this thesis. 144 refs., 63 figs., 79 tabs

The properties and structure of Sn---Ca---P---O---F glasses

International Nuclear Information System (INIS)

Ding, J.Y.; Shih, P.Y.; Yung, S.W.; Hsu, K.L.; Chin, T.S.

2003-01-01

Low melting modified calcium stannous fluorophosphate glasses based on a basic composition 40P 2 O 5 -25SnO-30SnF 2 -5CaF 2 (in mol%) with glass transition temperature T g ranging 220-240 deg. C have been prepared. The effect of Al(OH) 3 or SiO 2 addition on the properties of these glasses has also been determined. Aluminum and silicon compounds decrease the dissolution rate in water and thermal expansion coefficient while increase the density, T g and softening temperature. The effect of Al(OH) 3 addition on the increase of chemical durability is better for these glasses, due to the partial crystallization effect in stannous calcium silicofluorophosphate glasses. With an addition of 4 wt.% Al(OH) 3 , the dissolution rate of the glass in 30 deg. C water decreases from 1.0x10 -5 to 1.3x10 -7 g cm -2 min. The structure of Al(OH) 3 added glasses was studied by 27 Al and 31 P MAS NMR and Fourier transform IR (FTIR) spectroscopies to explain the relationship between glass properties and composition. The 27 Al spectra show three different aluminum environments [Al(OP) 6 , Al(OP) 5 and Al(OP) 4 ], and Al(OP) 6 species seem to be predominant in these glasses. The formation of P---O-Al covalent bond and more strongly ionic bonds increase the strength of the glass network in stannous calcium aluminofluorophosphate glasses. FTIR spectra indicate the presence of P--F bond in the short range glass structure

Charge transport through O-deficient Au-MgO-Au junctions

KAUST Repository

Fadlallah, M. M.; Eckern, Ulrich; Rungger, Ivan; Schuster, Cosima; Schwingenschlö gl, Udo

2009-01-01

Metal-oxide heterostructures have been attracting considerable attention in recent years due to various technological applications. We present results of electronic structure and transport calculations for the Au-MgO-Au (metal-insulator-metal) heterostructure based on density-functional theory and the nonequilibrium Green’s functions method. The dependence of the conductance of the heterostructure on the thickness of the MgO interlayer and the interface spacing is studied. In addition, we address the effects of O vacancies. We observe deviations from an exponentially suppressed conductance with growing interlayer thickness caused by Au-O chemical bonds. Electronic states tracing back to O vacancies can increase the conductance. Furthermore, this effect can be enhanced by enlarging the interface spacing as the vacancy induced Mg states are shifted toward the Fermi energy.

Charge transport through O-deficient Au-MgO-Au junctions

KAUST Repository

Fadlallah, M. M.

2009-12-29

Metal-oxide heterostructures have been attracting considerable attention in recent years due to various technological applications. We present results of electronic structure and transport calculations for the Au-MgO-Au (metal-insulator-metal) heterostructure based on density-functional theory and the nonequilibrium Green’s functions method. The dependence of the conductance of the heterostructure on the thickness of the MgO interlayer and the interface spacing is studied. In addition, we address the effects of O vacancies. We observe deviations from an exponentially suppressed conductance with growing interlayer thickness caused by Au-O chemical bonds. Electronic states tracing back to O vacancies can increase the conductance. Furthermore, this effect can be enhanced by enlarging the interface spacing as the vacancy induced Mg states are shifted toward the Fermi energy.

Zintl-phases with layer anions: preparation and crystal structures of the isotypic compounds SrSn sub 2 As sub 2 and Sr sub 0. 87 Ba sub 0. 13 Sn sub 2 As sub 2 and a single crystal structure determination of KSnSb. Zintl-Phasen mit Schichtanionen: Darstellung und Kristallstrukturen der isotypen Verbindungen SrSn sub 2 As sub 2 und Sr sub 0,87 Ba sub 0,13 Sn sub 2 As sub 2 sowie eine Einkristallstrukturbestimmung von KSnSb

Energy Technology Data Exchange (ETDEWEB)

Eisenmann, B; Klein, J [Abt. 2 fuer Anorganische Chemie, Technische Hochschule Darmstadt (Germany)

1991-06-01

The metallic reflecting compounds SrSn{sub 2}As{sub 2} and Sr{sub 0.87}Ba{sub 0.13}Sn{sub 2}As{sub 2} were prepared from the melt, they crystallize in the trigonal rhombohedral system (space group R3m, Z = 3) with lattice constants see ''Inhaltsuebersicht''. In the crystal structure of the isotypic compounds threebonded Sn atoms and threebonded As atoms together form puckered layers which are isostructural to grey As. The mean values of the bond lengths Sn -- As are 277.6 pm (SrSn{sub 2}As{sub 2}) and 279.1 pm (Sr{sub 0.87}Ba{sub 0.13}Sn{sub 2}As{sub 2}) resp. Along (001) the alkaline earth atoms occupy the octahedral interstices of As atoms between each second SnAs layer. The single crystal structure determination of KSnSb confirms the results of the X-ray powder analysis, but leads to slightly different values for the bond lengths.

Gold nanoparticles physicochemically bonded onto tungsten disulfide nanosheet edges exhibit augmented plasmon damping

Science.gov (United States)

Forcherio, Gregory T.; Dunklin, Jeremy R.; Backes, Claudia; Vaynzof, Yana; Benamara, Mourad; Roper, D. Keith

2017-07-01

Augmented plasmonic damping of dipole-resonant gold (Au) nanoparticles (NP) physicochemically bonded onto edges of tungsten disulfide (WS2) nanosheets, ostensibly due to hot electron injection, is quantified using electron energy loss spectroscopy (EELS). EELS allows single-particle spatial resolution. A measured 0.23 eV bandwidth expansion of the localized surface plasmon resonance upon covalent bonding of 20 nm AuNP to WS2 edges was deemed significant by Welch's t-test. Approximately 0.19 eV of the measured 0.23 eV expansion went beyond conventional radiative and nonradiative damping mechanisms according to discrete dipole models, ostensibly indicating emergence of hot electron transport from AuNP into the WS2. A quantum efficiency of up to 11±5% spanning a 7 fs transfer process across the optimized AuNP-TMD ohmic junction is conservatively calculated. Putative hot electron transport for AuNP physicochemically bonded to TMD edges exceeded that for AuNP physically deposited onto the TMD basal plane. This arose from contributions due to (i) direct physicochemical bond between AuNP and WS2; (ii) AuNP deposition at TMD edge sites; and (iii) lower intrinsic Schottky barrier. This improves understanding of photo-induced doping of TMD by metal NP which could benefit emerging catalytic and optoelectronic applications.

The complex structure of liquid Cu{sub 6}Sn{sub 5} alloy

Energy Technology Data Exchange (ETDEWEB)

Qin Jingyu; Gu Tingkun; Bian Xiufang [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Southern Campus, Jinan 250061 (China); Liu Hui [Shandong High Performance Computing Center, Shandong University, Southern Campus, Jinan 250061 (China)

2009-04-15

By applying ab initio molecular dynamics simulation to liquid Cu{sub 6}Sn{sub 5} alloy, the hetero-coordination tendency is discovered by Bathia-Thornton partial correlation functions and a chemical short-range parameter. However the local structural environment of Sn in l-Cu{sub 6}Sn{sub 5} alloy resembles that of liquid Sn by Voronoi analysis. A new feature, i.e. a subpeak in between the first and second peaks, is discovered by the present method which implies that topologically disordered {beta}-Sn-type structural units may exist in l-Cu{sub 6}Sn{sub 5} alloy. The local density states of electrons show that both Cu-Sn and Sn-Sn bonding exist in l-Cu{sub 6}Sn{sub 5} alloy. This work suggests that chemical short-range order between unlike atoms and self-coordination between Sn atoms coexists in l-Cu{sub 6}Sn{sub 5} alloy.

Hydrogen-bonded clusters of 1, 1'-ferrocenedicarboxylic acid on Au(111) are initially formed in solution

Science.gov (United States)

Quardokus, Rebecca C.; Wasio, Natalie A.; Brown, Ryan D.; Christie, John A.; Henderson, Kenneth W.; Forrest, Ryan P.; Lent, Craig S.; Corcelli, Steven A.; Alex Kandel, S.

2015-03-01

Low-temperature scanning tunneling microscopy is used to observe self-assembled structures of ferrocenedicarboxylic acid (Fc(COOH)2) on the Au(111) surface. The surface is prepared by pulse-deposition of Fc(COOH)2 dissolved in methanol, and the solvent is evaporated before imaging. While the rows of hydrogen-bonded dimers that are common for carboxylic acid species are observed, the majority of adsorbed Fc(COOH)2 is instead found in six-molecule clusters with a well-defined and chiral geometry. The coverage and distribution of these clusters are consistent with a random sequential adsorption model, showing that solution-phase species are determinative of adsorbate distribution for this system under these reaction conditions.

Microstructure, Tensile Adhesion Strength and Thermal Shock Resistance of TBCs with Different Flame-Sprayed Bond Coat Materials Onto BMI Polyimide Matrix Composite

Science.gov (United States)

Abedi, H. R.; Salehi, M.; Shafyei, A.

2017-10-01

In this study, thermal barrier coatings (TBCs) composed of different bond coats (Zn, Al, Cu-8Al and Cu-6Sn) with mullite top coats were flame-sprayed and air-plasma-sprayed, respectively, onto bismaleimide matrix composites. These polyimide matrix composites are of interest to replace PMR-15, due to concerns about the toxicity of the MDA monomer from which PMR-15 is made. The results showed that pores and cracks appeared at the bond coat/substrate interface for the Al-bonded TBC because of its high thermal conductivity and diffusivity resulting in transferring of high heat flux and temperature to the polymeric substrate during top coat deposition. The other TBC systems due to the lower conductivity and diffusivity of bonding layers could decrease the adverse thermal effect on the polymer substrate during top coat deposition and exhibited adhesive bond coat/substrate interfaces. The tensile adhesion test showed that the adhesion strength of the coatings to the substrate is inversely proportional to the level of residual stress in the coatings. However, the adhesion strength of Al bond-coated sample decreased strongly after mullite top coat deposition due to thermal damage at the bond coat/substrate interface. TBC system with the Cu-6Sn bond coat exhibited the best thermal shock resistance, while Al-bonded TBC showed the lowest. It was inferred that thermal mismatch stresses and oxidation of the bond coats were the main factors causing failure in the thermal shock test.

Co-Au core-shell nanocrystals formed by sequential ion implantation into SiO2

International Nuclear Information System (INIS)

Kluth, P.; Hoy, B.; Johannessen, B.; Dunn, S. G.; Foran, G. J.; Ridgway, M. C.

2006-01-01

Co-Au core-shell nanocrystals (NCs) were formed by sequential ion implantation of Au and Co into thin SiO 2 . The NCs were investigated by means of transmission electron microscopy and extended x-ray absorption fine structure spectroscopy. The latter reveals a bond length expansion in the Co core compared to monatomic Co NCs. Concomitantly, a significant contraction of the bond length and a significant reduction of the effective Au-Au coordination number were observed in the Au shells. Increased Debye-Waller factors indicate significant strain in the NCs. These experimental results verify recent theoretical predictions

Demonstration of Improved Charge Transfer in Graphene/Au Nanorods Plasmonic Hybrids Stabilized by Benzyl Thiol Linkers

Directory of Open Access Journals (Sweden)

Giuseppe Valerio Bianco

2016-01-01

Full Text Available Hybrids based on graphene decorated with plasmonic gold (Au nanostructures are being investigated as possible materials combination to add to graphene functionalities of tunable plasmon resonance and enhanced absorption at selected wavelength in the visible-near-infrared region of the spectrum. Here, we report a solution drop-casting approach for fabricating stable hybrids based on chemical vapor deposition (CVD graphene and Au nanorods, which are able to activate effective charge transfer from graphene. We demonstrate that CVD graphene functionalization by benzyl thiol (BZT provides the linker to strong anchoring, via S-Au bonds, Au nanorods to graphene. Optical measurements by spectroscopic ellipsometry give evidence of the introduction of plasmon resonances at 1.85 and 2.25 eV in the Au nanorods/BZT/graphene hybrids, which enable surface enhanced Raman scattering (SERS detection. Furthermore, an effective electron transfer from graphene to Au nanorods, resulting in an enhancement of p-type doping of graphene with a consequent decrease of its sheet resistance, is probed by Raman spectroscopy and corroborated by electrical measurements.

Evaluation of sup(99m)Tc-Sn-colloid on liver scintigram

Energy Technology Data Exchange (ETDEWEB)

Matsuyuki, Y; Kanao, K; Honda, M; Ishihara, S [Sumitomo Hospital, Osaka (Japan)

1975-04-01

sup(99m)Tc-Sn-colloid injectable solution and Sn-colloid preparation set were used for nuclear medical examination of the liver and their efficiency was discussed. Both sup(99m)Tc-Sn-colloid injectable solution and Sn-colloid preparation set showed the same kinetics in vivo, and the sup(99m)Tc-Sn-colloid rapidly disappeared from the serum and concentrated to the liver and spleen. Comparing /sup 198/Au-colloid, sup(99m)Tc-Sn-colloid could be increased the administration dose, and provided easy examination within short time period, easy observation from multiple directions, and improvement of resolution by scinticamera. Imaging of the spleen with sup(99m)Tc-Sn-colloid was slightly superior to that with sup(99m)Tc-sulfur-colloid. sup(99m)Tc-Sn-colloid injectable solution which required no procedure of labeling was evaluated as the most safe and easy technique. Side effects were not recognized. As the results, already made preparation, such as sup(99m)Tc-Sn-colloid injectable solution, which provided easy preparation with less absorbed dose of the tissue and high resolution would be frequently required.

Evaluation of sup(99m)Tc-Sn-colloid on liver scintigram

International Nuclear Information System (INIS)

Matsuyuki, Yoshihiko; Kanao, Keisuke; Honda, Minoru; Ishihara, Shizumori

1975-01-01

sup(99m)Tc-Sn-colloid injectable solution and Sn-colloid preparation set were used for nuclear medical examination of the liver and their efficiency was discussed. Both sup(99m)Tc-Sn-colloid injectable solution and Sn-colloid preparation set showed the same kinetics in vivo, and the sup(99m)Tc-Sn-colloid rapidly disappeared from the serum and concentrated to the liver and spleen. Comparing 198 Au-colloid, sup(99m)Tc-Sn-colloid could be increased the administration dose, and provided easy examination within short time period, easy observation from multiple directions, and improvement of resolution by scinticamera. Imaging of the spleen with sup(99m)Tc-Sn-colloid was slightly superior to that with sup(99m)Tc-sulfur-colloid. sup(99m)Tc-Sn-colloid injectable solution which required no procedure of labeling was evaluated as the most safe and easy technique. Side effects were not recognized. As the results, already made preparation, such as sup(99m)Tc-Sn-colloid injectable solution, which provided easy preparation with less absorbed dose of the tissue and high resolution would be frequently required. (Mukohata, S.)

Preferential Au precipitation at deformation-induced defects in Fe–Au and Fe–Au–B–N alloys

Energy Technology Data Exchange (ETDEWEB)

Zhang, S., E-mail: S.Zhang-1@tudelft.nl [Fundamental Aspects of Materials and Energy, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629 JB Delft (Netherlands); Langelaan, G. [Fundamental Aspects of Materials and Energy, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629 JB Delft (Netherlands); Brouwer, J.C.; Sloof, W.G. [Department of Materials Science and Engineering, Delft University of Technology, Mekelweg 2, 2628 CD Delft (Netherlands); Brück, E. [Fundamental Aspects of Materials and Energy, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629 JB Delft (Netherlands); Zwaag, S. van der [Novel Aerospace Materials Group, Faculty of Aerospace Engineering, Delft University of Technology, Kluyverweg 1, 2629 HS Delft (Netherlands); Dijk, N.H. van [Fundamental Aspects of Materials and Energy, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629 JB Delft (Netherlands)

2014-01-25

Highlights: • Fe–Au–B–N forms a good model alloy system for self healing of deformation damage. • Solute Au atoms exclusively precipitate at grain boundaries, cracks and cavities. • XPS indicates a strong tendency for Au segregation on free surfaces at 550 °C. • Interstitial B and N form hexagonal BN on free surfaces at 550 °C. • Selective Au precipitation at open volume defects can cause autonomous repair. -- Abstract: The influence of deformation-induced defects on the isothermal precipitation of Au was studied in high-purity Fe–Au and Fe–Au–B–N alloys. Preferential Au precipitation upon annealing at 550 °C is observed at local plastic indentations. In fractured Fe–Au–B–N, solute Au atoms were found to heterogeneously precipitate at grain boundaries and local micro-cracks. This is supported by in-situ creep tests that showed a strong tendency for Au precipitation at cracks and cavities also formed during creep loading at 550 °C. Complementary X-ray photoelectron spectroscopy experiments indicate a strong tendency of Au, B and N segregation onto free surface during aging. The observed site-specific precipitation of Au holds interesting opportunities for defect healing in steels subjected to creep deformation.

Intermolecular and very strong intramolecular C-SeO/N chalcogen bonds in nitrophenyl selenocyanate crystals.

Science.gov (United States)

Wang, Hui; Liu, Ju; Wang, Weizhou

2018-02-14

Single-crystal X-ray diffraction reveals that polymorphic ortho-nitrophenyl selenocyanate (o-NSC, crystals 1a and 1b) and monomorphic para-nitrophenyl selenocyanate (p-NSC, crystal 2) crystals are all stabilized mainly by intermolecular and very strong intramolecular C-SeO/N chalcogen bonds, as well as by other different interactions. Thermogravimetric (TG) and differential scanning calorimetry thermogram (DSC) analyses show that the starting decomposition temperatures and melting points of the three crystals are different, following the order 1b > 1a > 2, which is consistent with the structural characteristics of the crystals. In addition, atoms in molecules (AIM) and natural bond orbital (NBO) analyses indicate that the total strengths of the C-SeO and C-SeN chalcogen bonds decrease in the order 1b > 1a > 2. This study could be significant for engineering functional crystals based on robust C-SeO and C-SeN chalcogen bonds, and for designing drugs containing selenium as well as understanding their interaction in biosystems.

SN REFSDAL: CLASSIFICATION AS A LUMINOUS AND BLUE SN 1987A-LIKE TYPE II SUPERNOVA

Energy Technology Data Exchange (ETDEWEB)

Kelly, P. L.; Filippenko, A. V.; Graham, M. L. [Department of Astronomy, University of California, Berkeley, CA 94720-3411 (United States); Brammer, G.; Strolger, L.-G.; Riess, A. G. [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Selsing, J.; Hjorth, J.; Christensen, L. [Dark Cosmology Centre, Niels Bohr Institute, University of Copenhagen, Juliane Maries Vej 30, DK-2100 Copenhagen (Denmark); Foley, R. J. [Department of Physics, University of Illinois at Urbana-Champaign, 1110 W. Green Street, Urbana, IL 61801 (United States); Rodney, S. A. [Department of Physics and Astronomy, University of South Carolina, 712 Main St., Columbia, SC 29208 (United States); Treu, T. [University of California, Los Angeles, CA 90095 (United States); Steidel, C. C.; Strom, A.; Zitrin, A. [California Institute of Technology, 1200 East California Boulevard, Pasadena, CA 91125 (United States); Schmidt, K. B.; McCully, C. [Department of Physics, University of California, Santa Barbara, CA 93106-9530 (United States); Bradač, M. [University of California, Davis, 1 Shields Avenue, Davis, CA 95616 (United States); Jha, S. W. [Department of Physics and Astronomy, Rutgers, The State University of New Jersey, Piscataway, NJ 08854 (United States); Graur, O., E-mail: pkelly@astro.berkeley.edu [Center for Cosmology and Particle Physics, New York University, New York, NY 10003 (United States); and others

2016-11-10

We have acquired Hubble Space Telescope (HST) and Very Large Telescope near-infrared spectra and images of supernova (SN) Refsdal after its discovery as an Einstein cross in fall 2014. The HST light curve of SN Refsdal has a shape consistent with the distinctive, slowly rising light curves of SN 1987A-like SNe, and we find strong evidence for a broad H α P-Cygni profile and Na I D absorption in the HST grism spectrum at the redshift ( z = 1.49) of the spiral host galaxy. SNe IIn, largely powered by circumstellar interaction, could provide a good match to the light curve of SN Refsdal, but the spectrum of a SN IIn would not show broad and strong H α and Na I D absorption. From the grism spectrum, we measure an H α expansion velocity consistent with those of SN 1987A-like SNe at a similar phase. The luminosity, evolution, and Gaussian profile of the H α emission of the WFC3 and X-shooter spectra, separated by ∼2.5 months in the rest frame, provide additional evidence that supports the SN 1987A-like classification. In comparison with other examples of SN 1987A-like SNe, photometry of SN Refsdal favors bluer B - V and V - R colors and one of the largest luminosities for the assumed range of potential magnifications. The evolution of the light curve at late times will provide additional evidence about the potential existence of any substantial circumstellar material. Using MOSFIRE and X-shooter spectra, we estimate a subsolar host-galaxy metallicity (8.3 ± 0.1 dex and <8.4 dex, respectively) near the explosion site.

Clarification of the interaction between Au atoms and the anatase TiO2 (112) surface using density functional theory

Science.gov (United States)

Tada, Kohei; Koga, Hiroaki; Okumura, Mitsutaka; Tanaka, Shingo

2018-04-01

A model (112) surface slab of anatase TiO2 (112) was optimized, and the adsorption of Au atoms onto the (112) surface was investigated by first-principles calculations based on DFT (density functional theory) with the generalized gradient approximation (GGA). Furthermore, the results were compared with those of Au/anatase TiO2 (101) system. The (112) surface has a ridge and a groove (zig-zag structure). The Au atoms were strongly adsorbed in the grooves but became unstable as they climbed toward the ridges, and the promotion of electrons in the 5d orbitals to the 6s and 6p orbitals in the absorbed Au atom occurred. At the Au/anatase TiO2 interface, the Au-Ti4+ coordinate bond in the (112) system is stronger than that in the (101) system because the promotion of electrons is greater in the former interaction than the latter. The results suggest that Au/anatase TiO2 catalysts with a higher dispersion of Au nanoparticles could be prepared when the (112) surface is preferentially exposed.

Electronic bond tuning with heterocyclic carbenes

KAUST Repository

Falivene, Laura

2013-01-01

We discuss the impact of the nature of the heterocyclic carbene ring, when used as a complex forming ligand, on the relative stability of key intermediates in three typical Ru, Pd and Au promoted reactions. Results show that P-heterocyclic carbenes have a propensity to increase the bonding of the labile ligand and of the substrate in Ru-promoted olefin metathesis, whereas negligible impact is expected on the stability of the ruthenacycle intermediate. In the case of Pd cross-coupling reactions, dissociation of a P-heterocyclic carbene is easier than dissociation of the N-heterocyclic analogue. In the case of the Au-OH synthon, the Au-OH bond is weakened with the P-heterocyclic carbene ligands. A detailed energy decomposition analysis is performed to rationalize these results. © 2013 The Royal Society of Chemistry.

Gold nanoparticles physicochemically bonded onto tungsten disulfide nanosheet edges exhibit augmented plasmon damping

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Gregory T. Forcherio

2017-07-01

Full Text Available Augmented plasmonic damping of dipole-resonant gold (Au nanoparticles (NP physicochemically bonded onto edges of tungsten disulfide (WS2 nanosheets, ostensibly due to hot electron injection, is quantified using electron energy loss spectroscopy (EELS. EELS allows single-particle spatial resolution. A measured 0.23 eV bandwidth expansion of the localized surface plasmon resonance upon covalent bonding of 20 nm AuNP to WS2 edges was deemed significant by Welch’s t-test. Approximately 0.19 eV of the measured 0.23 eV expansion went beyond conventional radiative and nonradiative damping mechanisms according to discrete dipole models, ostensibly indicating emergence of hot electron transport from AuNP into the WS2. A quantum efficiency of up to 11±5% spanning a 7 fs transfer process across the optimized AuNP-TMD ohmic junction is conservatively calculated. Putative hot electron transport for AuNP physicochemically bonded to TMD edges exceeded that for AuNP physically deposited onto the TMD basal plane. This arose from contributions due to (i direct physicochemical bond between AuNP and WS2; (ii AuNP deposition at TMD edge sites; and (iii lower intrinsic Schottky barrier. This improves understanding of photo-induced doping of TMD by metal NP which could benefit emerging catalytic and optoelectronic applications.

Field emission from patterned SnO2 nanostructures

International Nuclear Information System (INIS)

Zhang Yongsheng; Yu Ke; Li Guodong; Peng Deyan; Zhang Qiuxiang; Hu Hongmei; Xu Feng; Bai Wei; Ouyang Shixi; Zhu Ziqiang

2006-01-01

A simple and reliable method has been developed for synthesizing finely patterned tin dioxide (SnO 2 ) nanostructure arrays on silicon substrates. A patterned Au catalyst film was prepared on the silicon wafer by radio frequency (RF) magnetron sputtering and photolithographic patterning processes. The patterned SnO 2 nanostructures arrays, a unit area is of ∼500 μm x 200 μm, were synthesized via vapor phase transport method. The surface morphology and composition of the as-synthesized SnO 2 nanostructures were characterized by means of scanning electron microscopy (SEM) and X-ray diffraction (XRD). The mechanism of formation of SnO 2 nanostructures was also discussed. The measurement of field emission (FE) revealed that the as-synthesized SnO 2 nanorods, nanowires and nanoparticles arrays have a lower turn-on field of 2.6, 3.2 and 3.9 V/μm, respectively, at the current density of 0.1 μA/cm 2 . This approach must have a wide variety of applications such as fabrications of micro-optical components and micropatterned oxide thin films used in FE-based flat panel displays, sensor arrays and so on

Electrooxidations of ethanol, acetaldehyde and acetic acid using PtRuSn/C catalysts prepared by modified alcohol-reduction process

Energy Technology Data Exchange (ETDEWEB)

Wu, Gang [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29208 (United States); Swaidan, Raja [Department of Chemical Engineering, Cooper Union, New York, NY 10003 (United States); Cui, Guofeng [School of Chemistry and Chemical Engineering, Sun-Yat Sen University, Guangzhou 510275 (China)

2007-10-11

Well-dispersed ternary PtRuSn catalysts of various atomic ratios (60:30:10, 60:20:20 and 60:10:30) were deposited onto carbon using modified alcohol-reduction process for electrochemical oxidation of ethanol. The alloy phase structure and surface morphology for each variation of the PtRuSn/C catalysts were determined by XRD and HRTEM. In order to evaluate the contributions of Ru and Sn in the different stages of ethanol oxidation, electrochemical oxidations of adsorbed CO, ethanol, acetaldehyde and acetic acid were performed on each PtRuSn/C catalyst. The results indicated that the Ru-rich PtRuSn/C catalyst (60:30:10) exhibited the lowest onset potential for the electrooxidations of adsorbed CO, ethanol and acetaldehyde, revealing that the removal through oxidation of the intermediate C{sub 1} and C{sub 2} species from Pt sites is primarily attributed to the Ru and Pt{sub 3}Sn alloy structures. However, for the overall oxidation of ethanol, the Sn-rich PtRuSn/C catalyst (60:10:30) containing PtSn phase and SnO{sub 2} structure is favorable for the activation of C-C bond breaking, thereby generating higher current density (mass activity) at higher potentials. Moreover, in the electrooxidation of acetic acid, a remarkable improvement for oxidizing acetic acid to C{sub 1} species was observed in the Sn-rich PtRuSn/C catalyst (60:10:30), while the Ru-rich PtRuSn/C catalyst (60:30:10) was almost incapable of breaking the C-C bond to further oxidize acetic acid. The possible reasons for the different reactivities on the studied PtRuSn/C catalysts were discussed based on the removal of intermediates and activation of the C-C bonds on the different surfaces. (author)

Hf{sub 3}Fe{sub 4}Sn{sub 4} and Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x}: Two stannide intermetallics with low-dimensional iron sublattices

Energy Technology Data Exchange (ETDEWEB)

Calta, Nicholas P. [Department of Chemistry, Northwestern University (United States); Kanatzidis, Mercouri G., E-mail: m-kanatzidis@northwestern.edu [Department of Chemistry, Northwestern University (United States); Materials Science Division, Argonne National Laboratory (United States)

2016-04-15

This article reports two new Hf-rich intermetallics synthesized using Sn flux: Hf{sub 3}Fe{sub 4}Sn{sub 4} and Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x}. Hf{sub 3}Fe{sub 4}Sn{sub 4} adopts an ordered variant the Hf{sub 3}Cu{sub 8} structure type in orthorhombic space group Pnma with unit cell edges of a=8.1143(5) Å, b=8.8466(5) Å, and c=10.6069(6) Å. Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x}, on the other hand, adopts a new structure type in Cmc2{sub 1} with unit cell edges of a=5.6458(3) Å, b=35.796(2) Å, and c=8.88725(9) Å for x=0. It exhibits a small amount of phase width in which Sn substitutes on one of the Fe sites. Both structures are fully three-dimensional and are characterized by pseudo one- and two-dimensional networks of Fe–Fe homoatomic bonding. Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x} exhibits antiferromagnetic order at T{sub N}=46(2) K and its electrical transport behavior indicates that it is a normal metal with phonon-dictated resistivity. Hf{sub 3}Fe{sub 4}Sn{sub 4} is also an antiferromagnet with a rather high ordering temperature of T{sub N}=373(5) K. Single crystal resistivity measurements indicate that Hf{sub 3}Fe{sub 4}Sn{sub 4} behaves as a Fermi liquid at low temperatures, indicating strong electron correlation. - Graphical abstract: Slightly different growth conditions in Sn flux produce two new intermetallic compounds: Hf{sub 3}Fe{sub 4}Sn{sub 4} and Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x}. - Highlights: • Single crystals of both Hf{sub 3}Fe{sub 4}Sn{sub 4} and Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x} were grown using Sn flux. • The crystal structures were determined using single crystal X-ray diffraction. • The Fe moments in Hf{sub 3}Fe{sub 4}Sn{sub 4} display AFM order below T{sub N}=373 K. • The Fe moments in Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x} display AFM order below T{sub N}=46 K.

Core-level photoelectron study of Si(1 1 1) sq root 7x sq root 3-(Pb, Sn) surface

CERN Document Server

Soda, K; Takada, T; Yoshimoto, O; Kato, M; Yagi, S; Morita, K; Kamada, M

2003-01-01

The Sn 4d and Pb 5d core-level photoelectron spectra have been studied in order to clarify their bonding properties and atomic arrangement on a Si(1 1 1) sq root 7x sq root 3-(Pb, Sn) surface, which is formed by the coadsorption of 0.4 ML Pb and 0.4 ML Sn and shows two kinds of bright spots in the scanning tunneling microscopic (STM) images: (A) those aligned zigzag on the T sub 1 site and (B) those on the T sub 1 and H sub 3 sites along the [1 1 -2] direction. The Pb 5d spectrum shows a single spin-orbit-split feature with weak tailing towards the high binding energy side, while the Sn 4d spectrum exhibits shoulder structures at the high binding energy side of the main peaks. This definitely indicates at least two different Sn-Si bonds or inequivalent Sn adsorbing sites and single bond or site for Pb. Thus the spots A at the T sub 1 site and those B at the T sub 1 and H sub 3 sites in the STM images are ascribed to Pb and Sn adatoms, respectively. The formation process of this surface will be also discussed ...

Contrastive thermoelectric properties of strained SnSe crystals from the first-principles calculations

Science.gov (United States)

Tang, Yu; Cheng, Feng; Li, Decong; Deng, Shuping; Chen, Zhong; Sun, Luqi; Liu, Wenting; Shen, Lanxian; Deng, Shukang

2018-06-01

SnSe is a promising thermoelectric material with a record high dimensionless figure of merit ZT at high temperature ∼923 K. However, the ZT values for low-Temperature Pnma phase SnSe are just 0.1-0.9. Here, we use First-principle combine with Boltzmann transport theory methods to study the effect of tensile and compressible strain on the thermoelectric transport properties. The power factor of SnSe with -4% strain have a large boost along b and c directions of 7.7 and 3.9 μW cm-1 K-2, respectively, which are 2.5 and 2 times as large as those pristine SnSe. The charge density distributions reveal that the overlap of wave function has significant change due to the changed bond lengths and bond angles under different strain, which lead to the change of band gap and band dispersion. Our work provides a new effective strategy to enhance the thermoelectric properties of materials.

Apatite Formation and Biocompatibility of a Low Young's Modulus Ti-Nb-Sn Alloy Treated with Anodic Oxidation and Hot Water.

Directory of Open Access Journals (Sweden)

Hidetatsu Tanaka

Full Text Available Ti-6Al-4V alloy is widely prevalent as a material for orthopaedic implants because of its good corrosion resistance and biocompatibility. However, the discrepancy in Young's modulus between metal prosthesis and human cortical bone sometimes induces clinical problems, thigh pain and bone atrophy due to stress shielding. We designed a Ti-Nb-Sn alloy with a low Young's modulus to address problems of stress disproportion. In this study, we assessed effects of anodic oxidation with or without hot water treatment on the bone-bonding characteristics of a Ti-Nb-Sn alloy. We examined surface analyses and apatite formation by SEM micrographs, XPS and XRD analyses. We also evaluated biocompatibility in experimental animal models by measuring failure loads with a pull-out test and by quantitative histomorphometric analyses. By SEM, abundant apatite formation was observed on the surface of Ti-Nb-Sn alloy discs treated with anodic oxidation and hot water after incubation in Hank's solution. A strong peak of apatite formation was detected on the surface using XRD analyses. XPS analysis revealed an increase of the H2O fraction in O 1s XPS. Results of the pull-out test showed that the failure loads of Ti-Nb-Sn alloy rods treated with anodic oxidation and hot water was greater than those of untreated rods. Quantitative histomorphometric analyses indicated that anodic oxidation and hot water treatment induced higher new bone formation around the rods. Our findings indicate that Ti-Nb-Sn alloy treated with anodic oxidation and hot water showed greater capacity for apatite formation, stronger bone bonding and higher biocompatibility for osteosynthesis. Ti-Nb-Sn alloy treated with anodic oxidation and hot water treatment is a promising material for orthopaedic implants enabling higher osteosynthesis and lower stress disproportion.

A further insight into the biosorption mechanism of Au(III by infrared spectrometry

Directory of Open Access Journals (Sweden)

Lin Zhongyu

2011-10-01

Full Text Available Abstract Background The interactions of microbes with metal ions form an important basis for our study of biotechnological applications. Despite the recent progress in studying some properties of Au(III adsorption and reduction by Bacillus megatherium D01 biomass, there is still a need for additional data on the molecular mechanisms of biosorbents responsible for their interactions with Au(III to have a further insight and to make a better exposition. Results The biosorption mechanism of Au(III onto the resting cell of Bacillus megatherium D01 biomass on a molecular level has been further studied here. The infrared (IR spectroscopy on D01 biomass and that binding Au(III demonstrates that the molecular recognition of and binding to Au(III appear to occur mostly with oxygenous- and nitrogenous-active groups of polysaccharides and proteins in cell wall biopolymers, such as hydroxyl of saccharides, carboxylate anion of amino-acid residues (side-chains of polypeptide backbone, peptide bond (amide I and amide II bands, etc.; and that the active groups must serve as nucleation sites for Au(0 nuclei growth. A further investigation on the interactions of each of the soluble hydrolysates of D01, Bacillus licheniformis R08, Lactobacillus sp. strain A09 and waste Saccharomyces cerevisiae biomasses with Au(III by IR spectrometry clearly reveals an essential biomacromolecule-characteristic that seems the binding of Au(III to the oxygen of the peptide bond has caused a significant, molecular conformation-rearrangement in polypeptide backbones from β-pleated sheet to α-helices and/or β-turns of protein secondary structure; and that this changing appears to be accompanied by the occurrence, in the peptide bond, of much unbound -C=O and H-N- groups, being freed from the inter-molecular hydrogen-bonding of the β-pleated sheet and carried on the helical forms, as well as by the alternation in side chain steric positions of protein primary structure. This might

An accurate redetermination of the 118Sn binding energy

International Nuclear Information System (INIS)

Borzakov, S.B.; Panteleev, Ts.Ts.; Telezhnikov, S.A.; Chrien, R.E.; Faikow-Stanczyk, H.; Grigor'ev, Yu.V.; Pospisil, S.; Smotritskij, L.M.

2001-01-01

The energy of well-known strong γ-line from 198 Au, the 'gold standard', has been modified in the light of new adjustments in the fundamental constants and the value of 411.80176(12) keV was determined which is 0.29 eV lower than the latest 1999 value. An energy calibration procedure for determining the neutron binding energy, B n , from complicated (n,γ)-spectra has been developed. A mathematically simple minimization function consisting only of terms having as parameters the coefficients of the energy calibration curve (polynomial) is used. A priori information about the relationships among the energies of different peaks on the spectrum was taken into account by a Monte Carlo simulation. The procedure was used in obtaining of B n for 118 Sn and 64 Cu. The γ-ray spectrum from thermal neutron radiative capture by 117 Sn has been measured on the IBR-2 pulsed reactor. γ-rays were detected by a 72 cm 2 HPGe-detector. B n for 64 Cu was obtained from two γ-spectra. One spectrum was measured on the IBR-2 by the same detector. The other spectrum was measured with a pair spectrometer at the Brookhaven High Flux Beam Reactor. From these two spectra B n for 64 Cu was determined equal to 7915.52(8) keV. The mean value of two most precise results of B n for 118 Sn was determined to be 9326.35(9) keV. The B n for 57Fe was determined to be 7646.08(9) keV

Ternary silicides ScIr{sub 4}Si{sub 2} and RERh{sub 4}Si{sub 2} (RE = Sc, Y, Tb-Lu) and quaternary derivatives RERh{sub 4}Si{sub 2-x}Sn{sub x} (RE = Y, Nd, Sm, Gd-Lu) - structure, chemical bonding, and solid state NMR spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Vosswinkel, Daniel; Benndorf, Christopher; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Eckert, Hellmut [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Sao Paulo Univ., Sao Carlos (Brazil). Inst. of Physics; Matar, Samir F. [Bordeaux Univ., CNRS, ICMCB, UPR 9048, Pessac (France)

2016-11-01

The silicides ScIr{sub 4}Si{sub 2} and RERh{sub 4}Si{sub 2} (RE = Sc, Y, Tb-Lu) and silicide stannides RERh{sub 4}Si{sub 2-x}Sn{sub x}(RE = Y, Nd, Sm, Gd-Lu) were synthesized from the elements by arc-melting and subsequent annealing. The new compounds crystallize with the orthorhombic YRh{sub 4}Ge{sub 2} type structure, space group Pnma. They were characterized by X-ray powder patterns and several structures were refined from single crystal X-ray diffractometer data. The main structural motifs of this series of silicides are tricapped trigonal prisms formed by the transition metal and rare earth atoms. One of the two crystallographically independent silicon sites allows for formation of solid solutions with tin, exemplarily studied for ErRh{sub 4}Si{sub 2-x}Sn{sub x}. Electronic structure calculations reveal strong covalent Rh-Si bonding as the main stability factor. Multinuclear ({sup 29}Si, {sup 45}Sc, and {sup 89}Y) magic-angle spinning (MAS) NMR spectra of the structure representatives with diamagnetic rare-earth elements (Sc, Y, Lu) are found to be consistent with the crystallographic data and specifically confirm the selective substitution of Sn in the Si2 sites in the quaternary compounds YRh{sub 4}SiSn and LuRh{sub 4}SiSn.

Split resonance modes of a AuBRC plasmonic nanosystem caused by the coupling effect

International Nuclear Information System (INIS)

Ni, Yuan; Kan, Caixia; Xu, Haiying; Wang, Changshun

2016-01-01

A plasmonic nanosystem can give rise to particular optical responses due to a coupling effect. In this work, we investigate the optical properties and field distributions of a novel ‘matrioska’ nanocavity structure composed of a Au nanorod (AuNR) within a nanobox (AuNB) via finite-difference time-domain (FDTD) simulation. This nanocavity can be fabricated by a two-step wet-chemical method. The multiple SPR modes of optical spectrum for nanocavity are caused by the strong interaction between the AuNR-core and AuNB-shell when the incident light is perpendicular or parallel to the long axis of the Au box/rod nanocavity (AuBRC). The SPR modes are known as the dipole–dipole bonding resonance mode in the lower-energy region and the antibonding resonance mode in the higher-energy region. It is proposed that AuBRC can escape the orientation confinement of AuNR because the multiple modes occur and provide a potential application for the enhancement of the photoluminescence signal. Additionally, the SPR modes red-shift with increasing the offset of the AuNR-core, whereas the SPR mode dramatically blue-shifts when the conductive coupling is formed. The intense ‘hot-spot’ could be induced within a small interaction region in the conductive coupled system. The SPR line-shape of high quality would also be promoted. The SPR is highly sensitive to the medium, which is promising in the sensing and detecting devices. (paper)

A Review of SnSe: Growth and Thermoelectric Properties

Science.gov (United States)

Nguyen, Van Quang; Kim, Jungdae; Cho, Sunglae

2018-04-01

SnSe is a 2D semiconductor with an indirect energy gap of 0.86 - 1 eV; it is widely used in solar cell, optoelectronics, and electronic device applications. Recently, SnSe has been considered as a robust candidate for energy conversion applications due to its high thermoelectric performance ( ZT = 2.6 in p-type and 2.2 in n-type), which is assigned mainly to its anhamornic bonding leading to an ultralow thermal conductivity. In this review, we first discuss the crystalline and electronic structures of SnSe and the source of its p-type characteristic. Then, some typical single crystal and polycrystal growth techniques, as well as an epitaxial thin film growth technique, are outlined. The reported thermoelectric properties of SnSe grown by using each technique are also reviewed. Finally, we will describe some remaining issues concerning the use of SnSe for thermoelectric applications.

Hopping conduction in gamma-irradiated InSe and InSe:Sn single crystals

International Nuclear Information System (INIS)

MUSTAFAEVA, S.N.; ISMAILOV, A.A.; ASADOV, M.M.

2010-01-01

Full text : The semiconductive InSe layer compound is characterized by a strong covalent bond inside the layers and a weak Van der Waals bonding between them. It was shown that across the layers of InSe single crystals at low temperatures (T ≤ 200 K) at direct current (dc) hopping conduction through localized states near the Fermi level takes place. The results of dc-conductivity of gamma-irradiated p-InSe and n-InSe : Sn layer single crystals have been presented in this work. ρ-InSe single crystal specimens grown by the Bridgman method were used in the experiments. Plates of the crystals under study were obtained by cleaving along the layers of single crystal ingots. The single-crystal InSe samples for electric measurements had the form of planar capacitors normal to the C axis of the crystals, with silver-paste electrodes. The thickness of the InSe samples was 300 mkm. Co 60 serves as the source of irradiation with energy of gamma-quantum equal to 1.3 MeV. The electric properties of non-irradiated and gamma-irradiated InSe crystals were measured under the same conditions. It is revealed that InSe and InSe : Sn (0.2 and 0.4 mole percent Sn) single crystals exhibit a variable range hopping conduction along a normal to their natural layers at temperatures T≤200 K in a dc electric field. From experimental data the parameters of localized states of p-InSe and n-InSe : Sn were calculated before and after gamma-irradiation. It is revealed that gamma-irradiation of p-InSe and n-InSe : Sn (0.2 and 0.4 mole percent Sn) single crystals leads to significant change of localized states parameters. After gamma-irradiation the density of states near the Fermi level increased, but their energy spread and the average jump distance decreased. The concentrations of radiated defects were estimated in p-InSe (5.18*10 1 7 sm - 3) and n-InSe : Sn (2.5*10 1 7 - 2.7*10 1 8 sm - 3) single crystals. The present results demonstrate that gamma-irradiation offers the possibility of tuning

The Ruthenostannylene Complex [Cp*(IXy)H2 Ru-Sn-Trip]: Providing Access to Unusual Ru-Sn Bonded Stanna-imine, Stannene, and Ketenylstannyl Complexes.

Science.gov (United States)

Liu, Hsueh-Ju; Ziegler, Micah S; Tilley, T Don

2015-05-26

Reactivity studies of the thermally stable ruthenostannylene complex [Cp*(IXy)(H)2 Ru-Sn-Trip] (1; IXy=1,3-bis(2,6-dimethylphenyl)imidazol-2-ylidene; Cp*=η(5) -C5 Me5 ; Trip=2,4,6-iPr3 C6 H2 ) with a variety of organic substrates are described. Complex 1 reacts with benzoin and an α,β-unsaturated ketone to undergo [1+4] cycloaddition reactions and afford [Cp*(IXy)(H)2 RuSn(κ(2) -O,O-OCPhCPhO)Trip] (2) and [Cp*(IXy)(H)2 RuSn(κ(2) -O,C-OCPhCHCHPh)Trip] (3), respectively. The reaction of 1 with ethyl diazoacetate resulted in a tin-substituted ketene complex [Cp*(IXy)(H)2 RuSn(OC2 H5 )(CHCO)Trip] (4), which is most likely a decomposition product from the putative ruthenium-substituted stannene complex. The isolation of a ruthenium-substituted stannene [Cp*(IXy)(H)2 RuSn(=Flu)Trip] (5) and stanna-imine [Cp*(IXy)(H)2 RuSn(κ(2) -N,O-NSO2 C6 H4 Me)Trip] (6) complexes was achieved by treatment of 1 with 9-diazofluorene and tosyl azide, respectively. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Apatite Formation and Biocompatibility of a Low Young’s Modulus Ti-Nb-Sn Alloy Treated with Anodic Oxidation and Hot Water

Science.gov (United States)

Tanaka, Hidetatsu; Mori, Yu; Noro, Atsushi; Kogure, Atsushi; Kamimura, Masayuki; Yamada, Norikazu; Hanada, Shuji; Masahashi, Naoya; Itoi, Eiji

2016-01-01

Ti-6Al-4V alloy is widely prevalent as a material for orthopaedic implants because of its good corrosion resistance and biocompatibility. However, the discrepancy in Young’s modulus between metal prosthesis and human cortical bone sometimes induces clinical problems, thigh pain and bone atrophy due to stress shielding. We designed a Ti-Nb-Sn alloy with a low Young’s modulus to address problems of stress disproportion. In this study, we assessed effects of anodic oxidation with or without hot water treatment on the bone-bonding characteristics of a Ti-Nb-Sn alloy. We examined surface analyses and apatite formation by SEM micrographs, XPS and XRD analyses. We also evaluated biocompatibility in experimental animal models by measuring failure loads with a pull-out test and by quantitative histomorphometric analyses. By SEM, abundant apatite formation was observed on the surface of Ti-Nb-Sn alloy discs treated with anodic oxidation and hot water after incubation in Hank’s solution. A strong peak of apatite formation was detected on the surface using XRD analyses. XPS analysis revealed an increase of the H2O fraction in O 1s XPS. Results of the pull-out test showed that the failure loads of Ti-Nb-Sn alloy rods treated with anodic oxidation and hot water was greater than those of untreated rods. Quantitative histomorphometric analyses indicated that anodic oxidation and hot water treatment induced higher new bone formation around the rods. Our findings indicate that Ti-Nb-Sn alloy treated with anodic oxidation and hot water showed greater capacity for apatite formation, stronger bone bonding and higher biocompatibility for osteosynthesis. Ti-Nb-Sn alloy treated with anodic oxidation and hot water treatment is a promising material for orthopaedic implants enabling higher osteosynthesis and lower stress disproportion. PMID:26914329

Corrosion Study and Intermetallics Formation in Gold and Copper Wire Bonding in Microelectronics Packaging

Directory of Open Access Journals (Sweden)

Christopher Breach

2013-07-01

Full Text Available A comparison study on the reliability of gold (Au and copper (Cu wire bonding is conducted to determine their corrosion and oxidation behavior in different environmental conditions. The corrosion and oxidation behaviors of Au and Cu wire bonding are determined through soaking in sodium chloride (NaCl solution and high temperature storage (HTS at 175 °C, 200 °C and 225 °C. Galvanic corrosion is more intense in Cu wire bonding as compared to Au wire bonding in NaCl solution due to the minimal formation of intermetallics in the former. At all three HTS annealing temperatures, the rate of Cu-Al intermetallic formation is found to be three to five times slower than Au-Al intermetallics. The faster intermetallic growth rate and lower activation energy found in this work for both Au/Al and Cu/Al as compared to literature could be due to the thicker Al pad metallization which removed the rate-determining step in previous studies due to deficit in Al material.

Formation and characterization of nanoparticles formed by sequential ion implantation of Au and Co into SiO2

International Nuclear Information System (INIS)

Kluth, P.; Hoy, B.; Johannessen, B.; Dunn, S.G.; Foran, G.J.; Ridgway, M.C.

2007-01-01

Nanoparticles (NPs) were formed by sequential ion implantation of Au and Co into thin SiO 2 . After Au implantation and annealing, Co implantations were carried out at room temperature (RT) and 400 deg. C, respectively, with no subsequent annealing. The NPs were investigated by means of Rutherford backscattering spectroscopy (RBS), transmission electron microscopy (TEM) and extended X-ray absorption fine structure spectroscopy (EXAFS). TEM shows the formation of Co-Au core-shell NPs for the Co implantation at 400 deg. C. EXAFS measurements indicate significant strain in the NPs and a bond-length expansion of the Co-Co bonds in the NP core with a concomitant contraction of the Au-Au bonds in the Au shells. NPs are also observed by TEM for the Co implantation performed at RT, however, a lack of crystallinity is apparent from electron diffraction and EXAFS measurements

SnO2 thin-films prepared by a spray-gel pyrolysis: Influence of sol properties on film morphologies

International Nuclear Information System (INIS)

Luyo, Clemente; Fabregas, Ismael; Reyes, L.; Solis, Jose L.; Rodriguez, Juan; Estrada, Walter; Candal, Roberto J.

2007-01-01

Nanostructured tin oxide films were prepared by depositing different sols using the so-called spray-gel pyrolysis process. SnO 2 suspensions (sols) were obtained from tin (IV) tert-amyloxide (Sn(t-OAm) 4 ) or tin (IV) chloride pentahydrate (SnCl 4 .5H 2 O) precursors, and stabilized with ammonia or tetraethylammonium hydroxide (TEA-OH). Xerogels from the different sols were obtained by solvent evaporation under controlled humidity. The Relative Gelling Volumes (RGV) of these sols strongly depended on the type of precursor. Xerogels obtained from inorganic salts gelled faster, while, as determined by thermal gravimetric analysis, occluding a significant amount of volatile compounds. Infrared spectroscopic analysis was performed on raw and annealed xerogels (300, 500 deg. C, 1 h). Annealing removed water and ammonium or alkyl ammonium chloride, increasing the number of Sn-O-Sn bonds. SnO 2 films were prepared by spraying the sols for 60 min onto glass and alumina substrates at 130 deg. C. The films obtained from all the sols were amorphous or displayed a very small grain size, and crystallized after annealing at 400 deg. C or 500 deg. C in air for 2 h. X-ray diffraction analysis showed the presence of the cassiterite structure and line broadening indicated a polycrystalline material with a grain size in the nanometer range. Results obtained from Scanning Electron Microscopy analysis demonstrated a strong dependence of the film morphology on the RGV of the sols. Films obtained from Sn(t-OAm) 4 showed a highly textured morphology based on fiber-shape bridges, whereas the films obtained from SnCl 4 .5H 2 O had a smoother surface formed by 'O-ring' shaped domains. Lastly, the performance of these films as gas sensor devices was tested. The conductance (sensor) response for ethanol as a target analyte was of the same order of magnitude for the three kinds of films. However, the response of the highly textured films was more stable with shorter response times

Ethanol electrooxidation on novel carbon supported Pt/SnOx/C catalysts with varied Pt:Sn ratio

International Nuclear Information System (INIS)

Jiang, L.; Colmenares, L.; Jusys, Z.; Sun, G.Q.; Behm, R.J.

2007-01-01

Novel carbon supported Pt/SnO x /C catalysts with Pt:Sn atomic ratios of 5:5, 6:4, 7:3 and 8:2 were prepared by a modified polyol method and characterized with respect to their structural properties (X-ray diffraction (XRD) and transmission electron microscopy (TEM)), chemical composition (XPS), their electrochemical properties (base voltammetry, CO ad stripping) and their electrocatalytic activity and selectivity for ethanol oxidation (ethanol oxidation reaction (EOR)). The data show that the Pt/SnO x /C catalysts are composed of Pt and tin oxide nanoparticles with an average Pt particle diameter of about 2 nm. The steady-state activity of the Pt/SnO x /C catalysts towards the EOR decreases with tin content at room temperature, but increases at 80 deg. C. On all Pt/SnO x /C catalysts, acetic acid and acetaldehyde represent dominant products, CO 2 formation contributes 1-3% for both potentiostatic and potentiodynamic reaction conditions. With increasing potential, the acetaldehyde yield decreases and the acetic acid yield increases. The apparent activation energies of the EOR increase with tin content (19-29 kJ mol -1 ), but are lower than on Pt/C (32 kJ mol -1 ). The somewhat better performance of the Pt/SnO x /C catalysts compared to alloyed PtSn x /C catalysts is attributed to the presence of both sufficiently large Pt ensembles for ethanol dehydrogenation and C-C bond splitting and of tin oxide for OH generation. Fuel cell measurements performed for comparison largely confirm the results obtained in model studies

Deposition and characterization of single magnetron deposited Fe:SnO{sub x} coatings

Energy Technology Data Exchange (ETDEWEB)

Kormunda, Martin, E-mail: martin.kormunda@ujep.cz [J.E. Purkinje University, Faculty of Science, Department of Physics, Ceske mladeze 8, 400 96 Usti nad Labem (Czech Republic); Fischer, Daniel; Hertwig, Andreas; Beck, Uwe [BAM Federal Institute for Materials Research and Testing, Division 6 4 Surface Technologies, Unter den Eichen 44-46, 12203 Berlin (Germany); Sebik, Matej; Pavlik, Jaroslav [J.E. Purkinje University, Faculty of Science, Department of Physics, Ceske mladeze 8, 400 96 Usti nad Labem (Czech Republic); Esser, Norbert [Leibniz-Institut für Analytische Wissenschaften — ISAS e.V., Department Berlin, Schwarzschildstr. 12, 12489 Berlin (Germany)

2015-11-30

Coatings deposited by magnetron co-sputtering from a single RF magnetron with a ceramic SnO{sub 2} target with iron inset in argon plasma were studied. The mass spectra of the process identified Sn{sup +} and SnO{sup +} species as the dominant species sputtered from the target, but no SnO{sub 2}{sup +} species were detected. The dominant positive ions in argon plasma are Ar{sup +} species. The only detected negative ions were O{sup −}. Sputtered neutral tin related species were not detected. Iron related species were also not detected because their concentration is below the detection limit. The concentration of iron dopant in the tin oxide coatings was controlled by the RF bias applied on the substrate holder while the discharge pressure also has some influence. The iron concentration was in the range from 0.9 at.% up to 19 at.% increasing with the substrate bias while the sheet resistivity decreases. The stoichiometry ratio of O/(Sn + Fe) in the coatings increased from 1.7 up to 2 in dependence on the substrate bias from floating bias (− 5 V) up to − 120 V of RF self-bias, respectively. The tin in the coatings was mainly bonded in Sn{sup 4+} state and iron was mainly in Fe{sup 2+} state when other tin bonding states were detected only in a small amounts. Iron bonding states in contrary to elemental compositions of the coatings were not influenced by the RF bias applied on the substrate. The coatings showed high transparency in the visible spectral range. However, an increased metallic behavior could be detected by using a higher RF bias for the deposition. The X-ray diffraction patterns and electron microscopy pictures made on the coatings confirmed the presence of an amorphous phase. - Highlights: • RF magnetron sputtering of SnO{sub 2} target with Fe inset in argon investigated by mass spectrometry • Optical properties of Fe doped SnO{sub x} coatings characterized • Analyses of overlapped XPS peaks at a spectrum from Fe doped SnO{sub x} coatings �

Why is the sn-2 chain of monounsaturated glycerophospholipids usually unsaturated whereas the sn-1 chain is saturated? Studies of 1-stearoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine (SOPC) and 1-oleoyl-2-stearoyl-sn-glycero-3-phosphatidylcholine (OSPC) membranes with and without cholesterol

DEFF Research Database (Denmark)

Martinez-Seara, Hector; Róg, Tomasz; Karttunen, Mikko

2009-01-01

Despite the large number of possible glycerol-based phospholipids, biological membranes contain only a small number of them. For example, double bonds in acyl chains are preferably located in the sn-2 chain. The question that emerges is: Why? We have addressed this question through atomistic simu....... The differences between the two isomers are enhanced when cholesterol is present as a result of the interaction of the off-plane cholesterol methyl groups with the double-bond carbon segments in the lipid acyl chains....

Structural and physical properties of transparent conducting, amorphous Zn-doped SnO2 films

Science.gov (United States)

Zhu, Q.; Ma, Q.; Buchholz, D. B.; Chang, R. P. H.; Bedzyk, M. J.; Mason, T. O.

2014-01-01

The structural and physical properties of conducting amorphous Zn-doped SnO2 (a-ZTO) films, prepared by pulsed laser deposition, were investigated as functions of oxygen deposition pressure (pO2), composition, and thermal annealing. X-ray scattering and X-ray absorption spectroscopy measurements reveal that at higher pO2, the a-ZTO films are highly transparent and have a structural framework similar to that found in crystalline (c-), rutile SnO2 in which the Sn4+ ion is octahedrally coordinated by 6 O2- ions. The Sn4+ ion in these films however has a coordination number (CN) smaller by 2%-3% than that in c-SnO2, indicating the presence of oxygen vacancies, which are the likely source of charge carriers. At lower pO2, the a-ZTO films show a brownish tint and contain some 4-fold coordinated Sn2+ ions. Under no circumstances is the CN around the Zn2+ ion larger than 4, and the Zn-O bond is shorter than the Sn-O bond by 0.07 Å. The addition of Zn has no impact on the electroneutrality but improves significantly the thermal stability of the films. Structural changes due to pO2, composition, and thermal annealing account well for the changes in the physical properties of a-ZTO films.

Three-particle correlations from parton cascades in Au+Au collisions

International Nuclear Information System (INIS)

Ma, G.L.; Ma, Y.G.; Zhang, S.; Cai, X.Z.; Chen, J.H.; He, Z.J.; Huang, H.Z.; Long, J.L.; Shen, W.Q.; Shi, X.H.; Zhong, C.; Zuo, J.X.

2007-01-01

We present a study of three-particle correlations among a trigger particle and two associated particles in Au+Au collisions at s NN =200 GeV using a multi-phase transport model (AMPT) with both partonic and hadronic interactions. We found that three-particle correlation densities in different angular directions with respect to the triggered particle ('center', 'cone', 'deflected', 'near' and 'near-away') increase with the number of participants. The ratio of 'deflected' to 'cone' density approaches to 1.0 with the increasing of number of participants, which indicates that partonic Mach-like shock waves can be produced by strong parton cascades in central Au+Au collisions

Growth of highly textured SnS on mica using an SnSe buffer layer

International Nuclear Information System (INIS)

Wang, S.F.; Fong, W.K.; Wang, W.; Surya, C.

2014-01-01

We report the growth of SnS thin films on mica substrates by molecular beam epitaxy. Excellent 2D layered structure and strong (001) texture were observed with a record low rocking curve full width at half maximum of ∼ 0.101° for the SnS(004) diffraction. An interface model is used to investigate the nucleation of SnS on mica which indicates the co-existence of six pairs of lateral growth orientations and is in excellent agreement with the experimental Φ-scan measurements indicating 12 peaks separated by 30° from each other. To control the lateral growth of the SnS epilayers we investigate the utilization of a thin SnSe buffer layer deposited on the mica substrate prior to the growth of the SnS thin film. The excellent lattice match between SnSe and mica enhances the alignment of the nucleation of SnS and suppresses the minor lateral orientations along the mica[110] direction and its orthogonal axis. Detailed low-frequency noise measurement was performed to characterize the trap density in the films and our results clearly demonstrate substantial reduction in the density of the localized states in the SnS epilayer with the use of an SnSe buffer layer. - Highlights: • A record low rocking curve FWHM for deposited SnS on mica • Investigation of the nucleation of SnS on mica using the interface model • Investigation of nucleation mechanism by phi-scan measurement • Grain boundary formation from crystallites of various nucleation orientations • Suppression of nucleation orientations using an SnSe buffer layer

Development of heat resistant Pb-free joints by TLPS process of Ag and Sn-Bi-Ag alloy powders

Directory of Open Access Journals (Sweden)

Ohnuma I.

2012-01-01

Full Text Available TLPS (Transient Liquid Phase Sintering process is a candidate method of heat-resistant bonding, which makes use of the reaction between low-melting temperature powder of Sn-Bi base alloys and reactive powder of Ag. During heat treatment above the melting temperature of a Sn-Bi base alloy, the molten Sn-Bi reacts rapidly with solid Ag particles, which results in the formation of heat-resistant intermetallic compound (IMC. In this study, the TLPS properties between Sn-17Bi-1Ag (at.% powder with its liquidus temperature of 200°C and pure Ag powder were investigated. During differential scanning calorimetry (DSC measurement, an exothermic reaction and an endothermic reaction occurred, which correspond to the formation of the e-Ag3Sn IMC phase and the melting of the Sn-17Bi-1Ag alloy, respectively. After the overall measurement, the obtained reactant consists of the Ag3Sn-IMC and Bi-rich phases, both of which start melting above 250°C, with a small amount of the residual Sn-Bi eutectic phase. These results suggest that the TLPS process can be applied for Pb-free heatresistant bonding.

Magnetic structure of RPdSn (R=Tb, Ho) single crystal compounds under strong magnetic field

International Nuclear Information System (INIS)

Andoh, Y.; Kurisu, M.; Nakamoto, G.; Tsutaoka, T.; Kawano, S.

2003-01-01

Rare earth compounds RTX, where R stands for rare earth elements, T for Ni, Pd or Rh, and X for Sn or Ge, crystallize to a rhombic ε-TiNiSi structure. Only rare earth elements R contribute to magnetic properties since T and X atoms are nonmagnetic. The competition between RKKY indirect interaction and large magnetic anisotropy generates many complicated magnetic phases. At a low temperature phase, complicated magnetisms such as meta-magnetism were observed in magnetization curves with many steps. In previous experiments dealing with RPdSn where R means Tb or Ho, some characteristics of magnetic properties of these compounds were deduced from magnetization measurements and neutron diffraction without external magnetic field. In this report, the change of magnetic scattering of neutron diffraction was studied under external magnetic fields in order to reveal the mechanism of the phase transformations of the compounds. The difference between TbPdSn and HoPdSn compounds was observed in magnetic field dependence of the wave vectors of the magnetic scattering. Two independent wave vectors in magnetic scattering existed in HoPdSn compound. (Y. Kazumata)

Reactivity and stability of thallium oxide for fabricating TlSnZnO toward thin-film transistors with high mobility

Energy Technology Data Exchange (ETDEWEB)

Kishimoto, Katsushi [Graduate School of Materials Science, Nara Institute of Science and Technology, Nara, 630-0192 (Japan); Nose, Yoshitaro [Department of Materials Science and Engineering, Kyoto University, Kyoto, 606-8501 (Japan); Ishikawa, Yasuaki, E-mail: yishikawa@ms.naist.jp [Graduate School of Materials Science, Nara Institute of Science and Technology, Nara, 630-0192 (Japan); Fujii, Mami N.; Uraoka, Yukiharu [Graduate School of Materials Science, Nara Institute of Science and Technology, Nara, 630-0192 (Japan)

2016-07-05

Thermal reaction between thallium oxide (Tl{sub 2}O{sub 3}) and zinc oxide (ZnO), tin oxide (SnO{sub 2}) or indium oxide (In{sub 2}O{sub 3}) annealed at 600 °C for 18 h in the air atmosphere was investigated. From XRD results of 600 °C annealed samples, Tl{sub 2}O{sub 3} had the biggest reactivity compared with ZnO. The EDX results suggest the mechanism in which the thallium atoms scattered and attached uniformly only on ZnO particles. We also analyzed XPS data to compare O 1s bond and Tl 4f bond of as-mixed samples with that of annealed samples, and found that Zn and Sn can contribute in improving Tl and O bonding stability. However, the affinity of In for Tl is weaker than that of Zn or Sn. Finally, we prepared the samples mixed with ZnO, SnO{sub 2}, and Tl{sub 2}O{sub 3} powder and the samples mixed with Zn{sub 2}SnO{sub 4} and Tl{sub 2}O{sub 3} powder annealed at 600 °C for 18 h. Results show that Zn{sub 2}SnO{sub 4} has the same or more reactivity than SnO{sub 2} and ZnO mixed particle despite of the more stable and sufficient dispersion of Zn and Sn atoms. More stable TlSnZnO can be fabricated from Zn{sub 2}SnO{sub 4} + Tl{sub 2}O{sub 3} powder by suitable thermal processes. It is expected that TlSnZnO sputtering target can be fabricated by suitable calcination. - Highlights: • Thermal reaction of Tl{sub 2}O{sub 3} and ZnO, SnO or In{sub 2}O{sub 3} were investigate. • It is found that Tl{sub 2}O{sub 3} is reactive with ZnO rather than SnO or In{sub 2}O{sub 3}. • Two-step annealing process is promising route for forming TlSnZnO tablet.

Development of bonding techniques for cryogenic components. 1. HIP bonding tests between Ti and cryogenic stainless steels

International Nuclear Information System (INIS)

Saito, Shigeru; Ouchi, Nobuo; Ishiyama, Shintaro; Tsuchiya, Yoshinori; Nakajima, Hideo

2002-05-01

Around the super conducting (SC) coils of SC linear accelerator or fusion reactor, several kinds of dissimilar material joints will be needed. In case of fusion reactor, pure titanium has been proposed as jacket material of SC coil. Pure titanium has many advantages, for instance, almost same thermal expansion with Nb 3 Sn SC coil, non-magnetivity and good workability. However, it is difficult to bond Ti and cryogenic stainless steels by welding. Therefore, it is necessary to develop new bonding techniques and we started the development of the bonding technology by hot isostatic press (HIP) method to bond titanium with stainless steels. In this experiments, optimization of HIP bonding condition and evaluation of bonding strength were performed by metallurgical observation, mechanical property tests and heat cycle test. (author)

Effect of Sn addition on the microstructure and superelasticity in Ti-Nb-Mo-Sn alloys.

Science.gov (United States)

Zhang, D C; Yang, S; Wei, M; Mao, Y F; Tan, C G; Lin, J G

2012-09-01

Ti-7.5Nb-4Mo-xSn (x=0-4at%) alloys were developed as the biomedical materials. The effect of the Sn content on the microstructure and superelasticity of the alloys was investigated. It is found that Sn is a strong stabilizer of the β phase, which is effective in suppressing the formation of α″ and ω phases in the alloys. Moreover, the Sn addition has a significant impact on the mechanical properties of the alloys. With the increase of Sn addition, the yield stress of the alloys increase, but their elastic modulus, the fracture strength and the ductility decrease, and the deformation mode of the alloys changes from (322) twining to α″ transformation and then to slip. The Ti-7.5Nb-4Mo-1Sn and Ti-7.5Nb-4Mo-3Sn alloys exhibit a good superelasticity with a high σ(SIM) due to the relatively high athermal ω phases containing or the solution hardening at room temperature. Under the maximum strain of 5%, Ti-7.5Nb-4Mo-3Sn (at%) alloy exhibits higher super elastic stability than that of Ti-7.5Nb-4Mo-1Sn alloy. Copyright © 2012 Elsevier Ltd. All rights reserved.

First principles investigation of interaction between impurity atom (Si, Ge, Sn) and carbon atom in diamond-like carbon system

International Nuclear Information System (INIS)

Li, Xiaowei; Wang, Aiying; Lee, Kwang-Ryeol

2012-01-01

The interaction between impurity atom (Si, Ge, and Sn) and carbon atom in diamond-like carbon (DLC) system was investigated by the first principles simulation method based on the density functional theory. The tetrahedral configuration was selected as the calculation model for simplicity. When the bond angle varied in a range of 90°–130° from the equivalent state of 109.471°, the distortion energy and the electronic structures including charge density of the highest occupied molecular orbital (HOMO) and partial density of state (PDOS) in the different systems were calculated. The results showed that the addition of Si, Ge and Sn atom into amorphous carbon matrix significantly decreased the distortion energy of the system as the bond angles deviated from the equilibrium one. Further studies of the HOMO and PDOS indicated that the weak covalent bond between Si(Ge, Sn) and C atoms was formed with the decreased strength and directionality, which were influenced by the electronegative difference. These results implied that the electron transfer behavior at the junction of carbon nano-devices could be tailored by the impurity element, and the compressive stress in DLC films could be reduced by the incorporation of Si, Ge and Sn because of the formation of weaker covalent bonds. - Highlights: ►Distortion energy after bond angle distortion was decreased comparing with C-C unit. ►The weak covalent bond was formed between impurity atoms and corner carbon atoms. ►Observed electron transfer behavior affected the strength and directionality of bond. ►Reduction of strength and directionality of bond contributed to small energy change.

Standard Guide for Acousto-Ultrasonic Assessment of Composites, Laminates, and Bonded Joints

CERN Document Server

American Society for Testing and Materials. Philadelphia

2007-01-01

1.1 This guide explains the rationale and basic technology for the acousto-ultrasonic (AU) method. Guidelines are given for nondestructive evaluation (NDE) of flaws and physical characteristics that influence the mechanical properties and relative strength of composite structures (for example, filament-wound pressure vessels), adhesive bonds (for example, joints between metal plates), and interlaminar and fiber/matrix bonds in man-made composites and natural composites (for example, wood products). 1.2 This guide covers technical details and rules that must be observed to ensure reliable and reproducible quantitative AU assessments of laminates, composites, and bonded structures. The underlying principles, prototype apparatus, instrumentation, standardization, examination methods, and data analysis for such assessments are covered. Limitations of the AU method and guidelines for taking advantage of its capabilities are cited. 1.3 The objective of AU is to assess subtle flaws and associated strength variations...

Electro-oxidation of Ethanol on Carbon Supported PtSn and PtSnNi Catalysts

Directory of Open Access Journals (Sweden)

Nur Hidayati

2016-03-01

Full Text Available Even though platinum is known as an active electro-catalyst for ethanol oxidation at low temperatures (< 100 oC, choosing the electrode material for ethanol electro-oxidation is a crucial issue. It is due to its property which easily poisoned by a strong adsorbed species such as CO. PtSn-based electro-catalysts have been identified as better catalysts for ethanol electro-oxidation. The third material is supposed to improved binary catalysts performance. This work presents a study of the ethanol electro-oxidation on carbon supported Pt-Sn and Pt-Sn-Ni catalysts. These catalysts were prepared by alcohol reduction. Nano-particles with diameters between 2.5-5.0 nm were obtained. The peak of (220 crystalline face centred cubic (fcc Pt phase for PtSn and PtSnNi alloys was repositioned due to the presence of Sn and/or Ni in the alloy. Furthermore, the modification of Pt with Sn and SnNi improved ethanol and CO electro-oxidation. Copyright © 2016 BCREC GROUP. All rights reserved Received: 10th November 2015; Revised: 1st February 2016; Accepted: 1st February 2016 How to Cite: Hidayati, N., Scott, K. (2016. Electro-oxidation of Ethanol on Carbon Supported PtSn and PtSnNi Catalysts. Bulletin of Chemical Reaction Engineering & Catalysis, 11 (1: 10-20. (doi:10.9767/bcrec.11.1.394.10-20 Permalink/DOI: http://dx.doi.org/10.9767/bcrec.11.1.394.10-20

Interconnect mechanisms in microelectronic packaging

Science.gov (United States)

Roma, Maria Penafrancia C.

Global economic, environmental and market developments caused major impact in the microelectronics industry. Astronomical rise of gold metal prices over the last decade shifted the use of copper and silver alloys as bonding wires. Environmental legislation on the restriction of the use of Pb launched worldwide search for lead-free solders and platings. Finally, electrical and digital uses demanded smaller, faster and cheaper devices. Ultra-fine pitch bonding, decreasing bond wire sizes and hard to bond substrates have put the once-robust stitch bond in the center of reliability issues due to stitch bond lift or open wires .Unlike the ball bond, stitch bonding does not lead to intermetallic compound formation but adhesion is dependent on mechanical deformation, interdiffusion, solid solution formation, void formation and mechanical interlocking depending on the wire material, bond configuration, substrate type , thickness and surface condition. Using Au standoff stitch bonds on NiPdAu plated substrates eliminated stitch bond lift even when the Au and Pd layers are reduced. Using the Matano-Boltzmann analysis on a STEM (Scanning Transmission Analysis) concentration profile the interdiffusion coefficient is measured to be 10-16 cm 2/s. Wire pull strength data showed that the wire pull strength is 0.062N and increases upon stress testing. Meanwhile, coating the Cu wire with Pd, not only increases oxidation resistance but also improved adhesion due to the formation of a unique interfacial adhesion layers. Adhesion strength as measured by pull showed the Cu wire bonded to Ag plated Cu substrate (0.132N) to be stronger than the Au wire bonded on the same substrate (0.124N). Ag stitch bonded to Au is predicted to be strong but surface modification made the adhesion stronger. However, on the Ag ball bonded to Al showed multiple IMC formation with unique morphology exposed by ion milling and backscattered scanning electron microscopy. Adding alloying elements in the Ag wire

Wafer-level integration of NiTi shape memory alloy on silicon using Au–Si eutectic bonding

International Nuclear Information System (INIS)

Gradin, Henrik; Bushra, Sobia; Braun, Stefan; Stemme, Göran; Van der Wijngaart, Wouter

2013-01-01

This paper reports on the wafer level integration of NiTi shape memory alloy (SMA) sheets with silicon substrates through Au–Si eutectic bonding. Different bond parameters, such as Au layer thicknesses and substrate surface treatments were evaluated. The amount of gold in the bond interface is the most important parameter to achieve a high bond yield; the amount can be determined by the barrier layers between the Au and Si or by the amount of Au deposition. Deposition of a gold layer of more than 1 μm thickness before bonding gives the most promising results. Through patterning of the SMA sheet and by limiting bonding to small areas, stresses created by the thermal mismatch between Si and NiTi are reduced. With a gold layer of 1 μm thickness and bond areas between 200 × 200 and 800 × 800 μm 2 a high bond strength and a yield above 90% is demonstrated. (paper)

Sintering of undoped SnO2 Sinterização de SnO2 não dopado

Directory of Open Access Journals (Sweden)

E. R. Leite

2003-04-01

Full Text Available Pure SnO2 sintering was studied by constant heating rate and isothermal sintering. The constant heating rate study showed no macroscopic shrinkage during the sintering process up to 1500 ºC. Pore size distribution measurements, using gas desorption, and grain size and crystallite size measurements of isothermally sintered samples showed no formation of non-densifying microstructures during the sintering process. These results are a strong indication that densification was prevented by thermodynamic factors, mainly the high ratio of gammaGB/gSV. An explanation, based on the nature of covalent bonding and the balance between attractive and repulsive forces, was proposed to explain the high gammaGB/gammaSV ratio in SnO2.A sinterização de SnO2 puro foi estudado por taxa constante de aquecimento e por sinterização isotérmica. O estudo de taxa constante de aquecimento mostrou que não ocorre retração macroscópica durante o processo de sinterização até temperaturas de 1500 ºC. Medidas de distribuição de tamanho de poros, usando adsorção de gás, tamanho de grão e tamanho de cristalito para amostras sinterizadas isotermicamente mostrou a não formação de uma microestrutura não-densificante durante o processo de sinterização. Estes resultados são um forte indicativo que a densificação foi inibida por fatores termodinâmicos, principalmente o alto valor da razão de gamaGB/gSV. Uma explicação, baseada na natureza covalente da ligação química e no balanço entre forças atrativas e repulsivas, é apresentada para explicar o alto valor da razão gamaGB/gamaSV no SnO2.

Structural and optical studies of 100 MeV Au irradiated thin films of tin oxide

Science.gov (United States)

Jaiswal, Manoj Kumar; Kanjilal, D.; Kumar, Rajesh

2013-11-01

Thin films of tin(IV) oxide (SnO2) of 100 nm thickness were grown on silicon (1 0 0) matrices by electron beam evaporation deposition technique under high vacuum. The thicknesses of these films were monitored by piezo-sensor attached to the deposition chamber. Nanocrystallinity is achieved in these thin films by 100 MeV Au8+ using 1 pnA current at normal incidence with ion fluences varying from 1 × 1011 ions/cm2 to 5 × 1013 ions/cm2. Swift Heavy Ion beam irradiation was carried out by using 15 UD Pelletron Accelerator at IUAC, New Delhi, India. Optical studies of pristine and ion irradiated thin films were characterized by UV-Visible spectroscopy and Fourier Transform Infrared (FTIR) spectroscopy. Prominent peak at 610 cm-1 in FTIR spectrum confirmed the O-Sn-O bonding of tin(IV) oxide. For Surface topographical studies and grain size calculations, these films were characterized by Atomic Force Microscope (AFM) using Nanoscope III-A. Crystallinity and phase transformation due to irradiation of pristine and irradiated films were characterized by Glancing Angle X-ray Diffraction (GAXRD) using Brucker-D8 advance model. GAXRD results show improvement in crystallinity and phase transformation due to swift heavy ion irradiation. Grain size distribution was verified by AFM and GAXRD results. Swift heavy ion induced modifications in thin films of SnO2 were confirmed by the presence of prominent peaks at 2θ values of 30.65°, 32.045°, 43.94°, 44.96° and 52.36° in GAXRD spectrum.

Structural anisotropy in amorphous SnO2 film probed by X-ray absorption spectroscopy

Science.gov (United States)

Zhu, Q.; Ma, Q.; Buchholz, D. B.; Chang, R. P. H.; Bedzyk, M. J.; Mason, T. O.

2013-07-01

Polarization-dependent X-ray absorption measurements reveal the existence of structural anisotropy in amorphous (a-) SnO2 film. The anisotropy is readily seen for the second neighbor interaction whose magnitude differs along three measured directions. The differences can be well accounted for by 10%-20% variation in the Debye-Waller factor. Instead of a single Gaussian distribution found in crystalline SnO2, the Sn-O bond distribution is bimodal in a-SnO2 whose separation shows a weak angular dependence. The oxygen vacancies, existing in the a-SnO2 film in the order of 1021 cm-3, distribute preferentially along the film surface direction.

Multi-band emission in a wide wavelength range from tin oxide/Au nanocomposites grown on porous anodic alumina substrate (AAO)

International Nuclear Information System (INIS)

Norek, Małgorzata; Michalska-Domańska, Marta; Stępniowski, Wojciech J.; Ayala, Israel; Bombalska, Aneta; Budner, Bogusław

2013-01-01

The photoluminescence (PL) properties of tin oxide nanostructures are investigated. Three samples of different morphology, induced by deposition process and various geometrical features of nanoporous anodic aluminum oxide (AAO) substrate, are analyzed. X-ray photoelectronic spectroscopy (XPS) analysis reveals the presence of two forms of tin oxide on the surface of all studied samples: SnO and SnO 2 . The former form is typical for reduced surface with bridging oxygen atoms and every other row of in-plane oxygen atoms removed. The oxygen defects give rise to a strong emission in visible region. Two intense PL peaks are observed centered at about 540 (band I) and 620 (band II) nm. The origin of these bands was ascribed to the recombination of electrons from the conduction band (band I) and shallow traps levels (band II) to the surface oxygen vacancy levels. Upon deposition of Au nanoparticles on the top of tin oxide nanostructures the emission at 540 and 620 nm disappears and a new band (band III) occurs in the range >760 nm. The PL mechanism operating in the studied systems is discussed. The tin oxide/Au nanocomposites can be used as efficient multi-band light emitters in a wide (from visible to near infrared) wavelength range.

Amperometric Immunosensor for Carbofuran Detection Based on MWCNTs/GS-PEI-Au and AuNPs-Antibody Conjugate

Directory of Open Access Journals (Sweden)

Xiangyou Wang

2013-04-01

Full Text Available In this paper, an amperometric immunosensor for the detection of carbofuran was developed. Firstly, multiwall carbon nanotubes (MWCNTs and graphene sheets-ethyleneimine polymer-Au (GS-PEI-Au nanocomposites were modified onto the surface of a glass carbon electrode (GCE via self-assembly. The nanocomposites can increase the surface area of the GCE to capture a large amount of antibody, as well as produce a synergistic effect in the electrochemical performance. Then the modified electrode was coated with gold nanoparticles-antibody conjugate (AuNPs-Ab and blocked with BSA. The monoclonal antibody against carbofuran was covalently immobilized on the AuNPs with glutathione as a spacer arm. The morphologies of the GS-PEI-Au nanocomposites and the fabrication process of the immunosensor were characterized by X-ray diffraction (XRD, ultraviolet and visible absorption spectroscopy (UV-vis and scanning electron microscopy (SEM, respectively. Under optimal conditions, the immunosensor showed a wide linear range, from 0.5 to 500 ng/mL, with a detection limit of 0.03 ng/mL (S/N = 3. The as-constructed immunosensor exhibited notable performance features such as high specificity, good reproducibility, acceptable stability and regeneration performance. The results are mainly due to the excellent properties of MWCNTs, GS-PEI-Au nanocomposites and the covalent immobilization of Ab with free hapten binding sites for further immunoreaction. It provides a new avenue for amperometric immunosensor fabrication.

Exact ground-state correlation functions of one-dimenisonal strongly correlated electron models with resonating-valence-bond ground state

International Nuclear Information System (INIS)

Yamanaka, Masanori; Honjo, Shinsuke; Kohmoto, Mahito

1996-01-01

We investigate one-dimensional strongly correlated electron models which have the resonating-valence-bond state as the exact ground state. The correlation functions are evaluated exactly using the transfer matrix method for the geometric representations of the valence-bond states. In this method, we only treat matrices with small dimensions. This enables us to give analytical results. It is shown that the correlation functions decay exponentially with distance. The result suggests that there is a finite excitation gap, and that the ground state is insulating. Since the corresponding noninteracting systems may be insulating or metallic, we can say that the gap originates from strong correlation. The persistent currents of the present models are also investigated and found to be exactly vanishing

Oxidation and Reduction of Liquid SnPb (60/40) under Ambient and Vacuum Conditions

DEFF Research Database (Denmark)

Kuhmann, Jochen Friedrich; Maly, K.; Preuss, A.

1998-01-01

One of the most straightforward approaches to fluxless solder bonding is using vacuum conditions to prevent further oxidation and, where needed, to reduce solder oxides by the use of molecular hydrogen (H-2).(1-3) This study On oxidation and reduction of solder oxides on SnPb (60/40) is aimed...... to provide a better understanding for fluxless solder bonding applications under controlled atmospheric conditions; By means of scanning Auger spectroscopy it is shown, that growth of oxide films on metallic SnPb above the eutectic temperature can be significantly reduced by decreasing the O-2 partial...

Changes of electronic structure of SnTe due to high concentration of Sn vacancies

International Nuclear Information System (INIS)

Masek, J.; Nuzhnyj, D.N.

1997-01-01

Non-stoichiometric Sn 1-y Te is a strongly degenerated n-type semiconductor. This is important for understanding unusual features of magnetic behaviour of Sn 1-x Gd x Te where the relative positions of the Fermi energy and the atomic d-level of Gd govern the exchange coupling.The influence of the Sn vacancies on the band structure cannot be neglect if their concentration reaches a few atomic percent. We address this problem by using a tight-binding coherent potential approach and show that although the character of the bands remains unchanged, they are modified so that ε d can come out above the heavy-hole band. (author)

Lanthanide stannate pyrochlores (Ln2Sn2O7; Ln = Nd, Gd, Er) at high pressure.

Science.gov (United States)

Turner, Katlyn M; Tracy, Cameron L; Mao, Wendy L; Ewing, Rodney C

2017-11-09

Lanthanide stannate pyrochlores (Ln2Sn2O7; Ln=Nd, Gd, and Er) were investigated in situ to 50 GPa in order to determine their structural response to compression and compare it to that of lanthanide titanate, zirconate, and hafnate pyrochlores. The cation radius ratio of A3+/B4+ in pyrochlore oxides (A2B2O7) is thought to be the dominant property that influences their compression response. The ionic radius of Sn4+ is intermediate to that of Ti4+, Zr4+, and Hf4+, but the <Sn-O> bond in stannate pyrochlore is more covalent than the bonds in titanates, zirconate, and hafnates. In stannates, the pyrochlore cation and anion sublattices begin to disorder at 0.3 GPa. The extent of sublattice disorder vs. pressure is greater in stannates with a smaller Ln3+ cation. Stannate pyrochlores (Fd-3m) begin a sluggish transformation to a cotunnite-like structure (Pnma) at ~28 GPa; similar transitions have been observed in titanate, zirconate, and hafnate pyrochlore at varying pressures with cation radius ratio. The extent of the phase transition vs. pressure varies directly with the size of the Ln3+ cation. Post-decompression from ~50 GPa, Er2Sn2O7 and Gd2Sn2O7 adopt a pyrochlore structure, rather than the multiscale defect-fluorite + weberite structure adopted by Nd2Sn2O7 that is characteristic of titanate, zirconate, and hafnate pyrochlore treated to similar conditions. Like pyrochlore titanates, zirconates, and hafnates, the bulk modulus, B0, of stannates varies linearly and inversely with cation radius ratio. The trends of bulk moduli in stannates in this study are in excellent agreement with previous experimental studies on stannates, and suggest that the size of the Ln3+ cation is a primary determining factor of B0. Additionally, when normalized to rA/rB, the bulk moduli of stannates are comparable to those of zirconates and hafnates, which vary from titanates. Our results suggest that the cation radius ratio strongly influences the bulk moduli of stannates as well as

Observation of D0 meson nuclear modifications in Au+Au collisions at sqrt[s(NN)] = 200 GeV.

Science.gov (United States)

Adamczyk, L; Adkins, J K; Agakishiev, G; Aggarwal, M M; Ahammed, Z; Alekseev, I; Alford, J; Anson, C D; Aparin, A; Arkhipkin, D; Aschenauer, E C; Averichev, G S; Banerjee, A; Beavis, D R; Bellwied, R; Bhasin, A; Bhati, A K; Bhattarai, P; Bichsel, H; Bielcik, J; Bielcikova, J; Bland, L C; Bordyuzhin, I G; Borowski, W; Bouchet, J; Brandin, A V; Brovko, S G; Bültmann, S; Bunzarov, I; Burton, T P; Butterworth, J; Caines, H; Calderón de la Barca Sánchez, M; Cebra, D; Cendejas, R; Cervantes, M C; Chaloupka, P; Chang, Z; Chattopadhyay, S; Chen, H F; Chen, J H; Chen, L; Cheng, J; Cherney, M; Chikanian, A; Christie, W; Chwastowski, J; Codrington, M J M; Contin, G; Cramer, J G; Crawford, H J; Cui, X; Das, S; Davila Leyva, A; De Silva, L C; Debbe, R R; Dedovich, T G; Deng, J; Derevschikov, A A; Derradi de Souza, R; Dhamija, S; di Ruzza, B; Didenko, L; Dilks, C; Ding, F; Djawotho, P; Dong, X; Drachenberg, J L; Draper, J E; Du, C M; Dunkelberger, L E; Dunlop, J C; Efimov, L G; Engelage, J; Engle, K S; Eppley, G; Eun, L; Evdokimov, O; Eyser, O; Fatemi, R; Fazio, S; Fedorisin, J; Filip, P; Finch, E; Fisyak, Y; Flores, C E; Gagliardi, C A; Gangadharan, D R; Garand, D; Geurts, F; Gibson, A; Girard, M; Gliske, S; Greiner, L; Grosnick, D; Gunarathne, D S; Guo, Y; Gupta, A; Gupta, S; Guryn, W; Haag, B; Hamed, A; Han, L-X; Haque, R; Harris, J W; Heppelmann, S; Hirsch, A; Hoffmann, G W; Hofman, D J; Horvat, S; Huang, B; Huang, H Z; Huang, X; Huck, P; Humanic, T J; Igo, G; Jacobs, W W; Jang, H; Judd, E G; Kabana, S; Kalinkin, D; Kang, K; Kauder, K; Ke, H W; Keane, D; Kechechyan, A; Kesich, A; Khan, Z H; Kikola, D P; Kisel, I; Kisiel, A; Koetke, D D; Kollegger, T; Konzer, J; Koralt, I; Kotchenda, L; Kraishan, A F; Kravtsov, P; Krueger, K; Kulakov, I; Kumar, L; Kycia, R A; Lamont, M A C; Landgraf, J M; Landry, K D; Lauret, J; Lebedev, A; Lednicky, R; Lee, J H; LeVine, M J; Li, C; Li, W; Li, X; Li, X; Li, Y; Li, Z M; Lisa, M A; Liu, F; Ljubicic, T; Llope, W J; Lomnitz, M; Longacre, R S; Luo, X; Ma, G L; Ma, Y G; Madagodagettige Don, D M M D; Mahapatra, D P; Majka, R; Margetis, S; Markert, C; Masui, H; Matis, H S; McDonald, D; McShane, T S; Minaev, N G; Mioduszewski, S; Mohanty, B; Mondal, M M; Morozov, D A; Mustafa, M K; Nandi, B K; Nasim, Md; Nayak, T K; Nelson, J M; Nigmatkulov, G; Nogach, L V; Noh, S Y; Novak, J; Nurushev, S B; Odyniec, G; Ogawa, A; Oh, K; Ohlson, A; Okorokov, V; Oldag, E W; Olvitt, D L; Pachr, M; Page, B S; Pal, S K; Pan, Y X; Pandit, Y; Panebratsev, Y; Pawlak, T; Pawlik, B; Pei, H; Perkins, C; Peryt, W; Pile, P; Planinic, M; Pluta, J; Poljak, N; Porter, J; Poskanzer, A M; Pruthi, N K; Przybycien, M; Pujahari, P R; Putschke, J; Qiu, H; Quintero, A; Ramachandran, S; Raniwala, R; Raniwala, S; Ray, R L; Riley, C K; Ritter, H G; Roberts, J B; Rogachevskiy, O V; Romero, J L; Ross, J F; Roy, A; Ruan, L; Rusnak, J; Rusnakova, O; Sahoo, N R; Sahu, P K; Sakrejda, I; Salur, S; Sandweiss, J; Sangaline, E; Sarkar, A; Schambach, J; Scharenberg, R P; Schmah, A M; Schmidke, W B; Schmitz, N; Seger, J; Seyboth, P; Shah, N; Shahaliev, E; Shanmuganathan, P V; Shao, M; Sharma, B; Shen, W Q; Shi, S S; Shou, Q Y; Sichtermann, E P; Singaraju, R N; Skoby, M J; Smirnov, D; Smirnov, N; Solanki, D; Sorensen, P; Spinka, H M; Srivastava, B; Stanislaus, T D S; Stevens, J R; Stock, R; Strikhanov, M; Stringfellow, B; Sumbera, M; Sun, X; Sun, X M; Sun, Y; Sun, Z; Surrow, B; Svirida, D N; Symons, T J M; Szelezniak, M A; Takahashi, J; Tang, A H; Tang, Z; Tarnowsky, T; Thomas, J H; Timmins, A R; Tlusty, D; Tokarev, M; Trentalange, S; Tribble, R E; Tribedy, P; Trzeciak, B A; Tsai, O D; Turnau, J; Ullrich, T; Underwood, D G; Van Buren, G; van Nieuwenhuizen, G; Vandenbroucke, M; Vanfossen, J A; Varma, R; Vasconcelos, G M S; Vasiliev, A N; Vertesi, R; Videbæk, F; Viyogi, Y P; Vokal, S; Vossen, A; Wada, M; Wang, F; Wang, G; Wang, H; Wang, J S; Wang, X L; Wang, Y; Wang, Y; Webb, G; Webb, J C; Westfall, G D; Wieman, H; Wissink, S W; Witt, R; Wu, Y F; Xiao, Z; Xie, W; Xin, K; Xu, H; Xu, J; Xu, N; Xu, Q H; Xu, Y; Xu, Z; Yan, W; Yang, C; Yang, Y; Yang, Y; Ye, Z; Yepes, P; Yi, L; Yip, K; Yoo, I-K; Yu, N; Zawisza, Y; Zbroszczyk, H; Zha, W; Zhang, J B; Zhang, J L; Zhang, S; Zhang, X P; Zhang, Y; Zhang, Z P; Zhao, F; Zhao, J; Zhong, C; Zhu, X; Zhu, Y H; Zoulkarneeva, Y; Zyzak, M

2014-10-03

We report the first measurement of charmed-hadron (D(0)) production via the hadronic decay channel (D(0) → K(-) + π(+)) in Au+Au collisions at sqrt[s(NN)] = 200 GeV with the STAR experiment. The charm production cross section per nucleon-nucleon collision at midrapidity scales with the number of binary collisions, N(bin), from p+p to central Au+Au collisions. The D(0) meson yields in central Au + Au collisions are strongly suppressed compared to those in p+p scaled by N(bin), for transverse momenta p(T) > 3 GeV/c, demonstrating significant energy loss of charm quarks in the hot and dense medium. An enhancement at intermediate p(T) is also observed. Model calculations including strong charm-medium interactions and coalescence hadronization describe our measurements.

Observation of D0 Meson Nuclear Modifications in Au +Au Collisions at √sNN =200 GeV

Science.gov (United States)

Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Alford, J.; Anson, C. D.; Aparin, A.; Arkhipkin, D.; Aschenauer, E. C.; Averichev, G. S.; Banerjee, A.; Beavis, D. R.; Bellwied, R.; Bhasin, A.; Bhati, A. K.; Bhattarai, P.; Bichsel, H.; Bielcik, J.; Bielcikova, J.; Bland, L. C.; Bordyuzhin, I. G.; Borowski, W.; Bouchet, J.; Brandin, A. V.; Brovko, S. G.; Bültmann, S.; Bunzarov, I.; Burton, T. P.; Butterworth, J.; Caines, H.; Calderón de la Barca Sánchez, M.; Cebra, D.; Cendejas, R.; Cervantes, M. C.; Chaloupka, P.; Chang, Z.; Chattopadhyay, S.; Chen, H. F.; Chen, J. H.; Chen, L.; Cheng, J.; Cherney, M.; Chikanian, A.; Christie, W.; Chwastowski, J.; Codrington, M. J. M.; Contin, G.; Cramer, J. G.; Crawford, H. J.; Cui, X.; Das, S.; Davila Leyva, A.; De Silva, L. C.; Debbe, R. R.; Dedovich, T. G.; Deng, J.; Derevschikov, A. A.; Derradi de Souza, R.; Dhamija, S.; di Ruzza, B.; Didenko, L.; Dilks, C.; Ding, F.; Djawotho, P.; Dong, X.; Drachenberg, J. L.; Draper, J. E.; Du, C. M.; Dunkelberger, L. E.; Dunlop, J. C.; Efimov, L. G.; Engelage, J.; Engle, K. S.; Eppley, G.; Eun, L.; Evdokimov, O.; Eyser, O.; Fatemi, R.; Fazio, S.; Fedorisin, J.; Filip, P.; Finch, E.; Fisyak, Y.; Flores, C. E.; Gagliardi, C. A.; Gangadharan, D. R.; Garand, D.; Geurts, F.; Gibson, A.; Girard, M.; Gliske, S.; Greiner, L.; Grosnick, D.; Gunarathne, D. S.; Guo, Y.; Gupta, A.; Gupta, S.; Guryn, W.; Haag, B.; Hamed, A.; Han, L.-X.; Haque, R.; Harris, J. W.; Heppelmann, S.; Hirsch, A.; Hoffmann, G. W.; Hofman, D. J.; Horvat, S.; Huang, B.; Huang, H. Z.; Huang, X.; Huck, P.; Humanic, T. J.; Igo, G.; Jacobs, W. W.; Jang, H.; Judd, E. G.; Kabana, S.; Kalinkin, D.; Kang, K.; Kauder, K.; Ke, H. W.; Keane, D.; Kechechyan, A.; Kesich, A.; Khan, Z. H.; Kikola, D. P.; Kisel, I.; Kisiel, A.; Koetke, D. D.; Kollegger, T.; Konzer, J.; Koralt, I.; Kotchenda, L.; Kraishan, A. F.; Kravtsov, P.; Krueger, K.; Kulakov, I.; Kumar, L.; Kycia, R. A.; Lamont, M. A. C.; Landgraf, J. M.; Landry, K. D.; Lauret, J.; Lebedev, A.; Lednicky, R.; Lee, J. H.; LeVine, M. J.; Li, C.; Li, W.; Li, X.; Li, X.; Li, Y.; Li, Z. M.; Lisa, M. A.; Liu, F.; Ljubicic, T.; Llope, W. J.; Lomnitz, M.; Longacre, R. S.; Luo, X.; Ma, G. L.; Ma, Y. G.; Madagodagettige Don, D. M. M. D.; Mahapatra, D. P.; Majka, R.; Margetis, S.; Markert, C.; Masui, H.; Matis, H. S.; McDonald, D.; McShane, T. S.; Minaev, N. G.; Mioduszewski, S.; Mohanty, B.; Mondal, M. M.; Morozov, D. A.; Mustafa, M. K.; Nandi, B. K.; Nasim, Md.; Nayak, T. K.; Nelson, J. M.; Nigmatkulov, G.; Nogach, L. V.; Noh, S. Y.; Novak, J.; Nurushev, S. B.; Odyniec, G.; Ogawa, A.; Oh, K.; Ohlson, A.; Okorokov, V.; Oldag, E. W.; Olvitt, D. L.; Pachr, M.; Page, B. S.; Pal, S. K.; Pan, Y. X.; Pandit, Y.; Panebratsev, Y.; Pawlak, T.; Pawlik, B.; Pei, H.; Perkins, C.; Peryt, W.; Pile, P.; Planinic, M.; Pluta, J.; Poljak, N.; Porter, J.; Poskanzer, A. M.; Pruthi, N. K.; Przybycien, M.; Pujahari, P. R.; Putschke, J.; Qiu, H.; Quintero, A.; Ramachandran, S.; Raniwala, R.; Raniwala, S.; Ray, R. L.; Riley, C. K.; Ritter, H. G.; Roberts, J. B.; Rogachevskiy, O. V.; Romero, J. L.; Ross, J. F.; Roy, A.; Ruan, L.; Rusnak, J.; Rusnakova, O.; Sahoo, N. R.; Sahu, P. K.; Sakrejda, I.; Salur, S.; Sandweiss, J.; Sangaline, E.; Sarkar, A.; Schambach, J.; Scharenberg, R. P.; Schmah, A. M.; Schmidke, W. B.; Schmitz, N.; Seger, J.; Seyboth, P.; Shah, N.; Shahaliev, E.; Shanmuganathan, P. V.; Shao, M.; Sharma, B.; Shen, W. Q.; Shi, S. S.; Shou, Q. Y.; Sichtermann, E. P.; Singaraju, R. N.; Skoby, M. J.; Smirnov, D.; Smirnov, N.; Solanki, D.; Sorensen, P.; Spinka, H. M.; Srivastava, B.; Stanislaus, T. D. S.; Stevens, J. R.; Stock, R.; Strikhanov, M.; Stringfellow, B.; Sumbera, M.; Sun, X.; Sun, X. M.; Sun, Y.; Sun, Z.; Surrow, B.; Svirida, D. N.; Symons, T. J. M.; Szelezniak, M. A.; Takahashi, J.; Tang, A. H.; Tang, Z.; Tarnowsky, T.; Thomas, J. H.; Timmins, A. R.; Tlusty, D.; Tokarev, M.; Trentalange, S.; Tribble, R. E.; Tribedy, P.; Trzeciak, B. A.; Tsai, O. D.; Turnau, J.; Ullrich, T.; Underwood, D. G.; Van Buren, G.; van Nieuwenhuizen, G.; Vandenbroucke, M.; Vanfossen, J. A.; Varma, R.; Vasconcelos, G. M. S.; Vasiliev, A. N.; Vertesi, R.; Videbæk, F.; Viyogi, Y. P.; Vokal, S.; Vossen, A.; Wada, M.; Wang, F.; Wang, G.; Wang, H.; Wang, J. S.; Wang, X. L.; Wang, Y.; Wang, Y.; Webb, G.; Webb, J. C.; Westfall, G. D.; Wieman, H.; Wissink, S. W.; Witt, R.; Wu, Y. F.; Xiao, Z.; Xie, W.; Xin, K.; Xu, H.; Xu, J.; Xu, N.; Xu, Q. H.; Xu, Y.; Xu, Z.; Yan, W.; Yang, C.; Yang, Y.; Yang, Y.; Ye, Z.; Yepes, P.; Yi, L.; Yip, K.; Yoo, I.-K.; Yu, N.; Zawisza, Y.; Zbroszczyk, H.; Zha, W.; Zhang, J. B.; Zhang, J. L.; Zhang, S.; Zhang, X. P.; Zhang, Y.; Zhang, Z. P.; Zhao, F.; Zhao, J.; Zhong, C.; Zhu, X.; Zhu, Y. H.; Zoulkarneeva, Y.; Zyzak, M.; STAR Collaboration

2014-10-01

We report the first measurement of charmed-hadron (D0) production via the hadronic decay channel (D0→K-+π+) in Au +Au collisions at √sNN =200 GeV with the STAR experiment. The charm production cross section per nucleon-nucleon collision at midrapidity scales with the number of binary collisions, Nbin, from p +p to central Au +Au collisions. The D0 meson yields in central Au +Au collisions are strongly suppressed compared to those in p+p scaled by Nbin, for transverse momenta pT>3 GeV /c, demonstrating significant energy loss of charm quarks in the hot and dense medium. An enhancement at intermediate pT is also observed. Model calculations including strong charm-medium interactions and coalescence hadronization describe our measurements.

The effects of Sn addition on properties and structure in Ge-Se chalcogenide glass

Science.gov (United States)

Fayek, S. A.

2005-01-01

Far infrared transmission spectra of homogeneous compositions in the glassy alloy system Ge 1- xSn xSe 2.5 0⩽ x⩽0.6 have been observed in the spectral range 200-500 cm -1 at room temperature. The infrared absorption spectra show strong bands around 231, 284 and 311 cm -1 which were assigned to GeSe, SeSn, Se-Se. Tin atoms appear to substitute for the germanium atoms in the outrigger sites of Ge(Se 1/2) 4 tetrahedra up to 0.4. For x>0.5, the glasses show a new vibrational band of an isolated F 2 mode of the Ge-centered tetrahedra outside the clusters. A pronounced peculiarity (maximum or minimum) appeared at around the same value of the average coordination number at Z=2.65 for all composition dependence topological phase transition from two-dimensional (2D) layer type to three- dimensional (3D) cross-linked network structures in the glass. It is clear that the theoretical ν-values for Se-Se bond is less than the experimental one and that for Se-Ge is greater than the experimental one. This difference may be due to the existence of more close lying modes which tends to broaden the absorption bands. Quantitative justification of the absorption bands shows that theoretical wave numbers agree with its experimental values for Ge-Se stretching vibration bond.

Al and Si Alloying Effect on Solder Joint Reliability in Sn-0.5Cu for Automotive Electronics

Science.gov (United States)

Hong, Won Sik; Oh, Chulmin; Kim, Mi-Song; Lee, Young Woo; Kim, Hui Joong; Hong, Sung Jae; Moon, Jeong Tak

2016-12-01

To suppress the bonding strength degradation of solder joints in automotive electronics, we proposed a mid-temperature quaternary Pb-free Sn-0.5Cu solder alloy with minor Pd, Al, Si and Ge alloying elements. We manufactured powders and solder pastes of Sn-0.5Cu-(0.01,0.03)Al-0.005Si-(0.006-0.007)Ge alloys ( T m = 230°C), and vehicle electronic control units used for a flame-retardant-4 printed circuit board with an organic solderability preservative finish were assembled by a reflow soldering process. To investigate the degradation properties of solder joints used in engine compartments, thermal cycling tests were conducted from -40°C to 125°C (10 min dwell) for 1500 cycles. We also measured the shear strength of the solder joints in various components and observed the microstructural evolution of the solder joints. Based on these results, intermetallic compound (IMC) growth at the solder joints was suppressed by minor Pd, Al and Si additions to the Sn-0.5Cu alloy. After 1500 thermal cycles, IMC layers thicknesses for 100 parts per million (ppm) and 300 ppm Al alloy additions were 6.7 μm and 10 μm, compared to the as-reflowed bonding thicknesses of 6 μm and 7 μm, respectively. Furthermore, shear strength degradation rates for 100 ppm and 300 ppm Al(Si) alloy additions were at least 19.5%-26.2%. The cause of the improvement in thermal cycling reliability was analyzed using the (Al,Cu)-Sn, Si-Sn and Al-Sn phases dispersed around the Cu6Sn5 intermetallic at the solder matrix and bonding interfaces. From these results, we propose the possibility of a mid-temperature Sn-0.5Cu(Pd)-Al(Si)-Ge Pb-free solder for automotive engine compartment electronics.

Enhanced pressureless bonding by Tin Doped Silver Paste at low sintering temperature

Energy Technology Data Exchange (ETDEWEB)

Yang, Cheng-Xiang [School of Material Science and Engineering, and Tianjin Key Laboratory of Advanced Joining Technology, Tianjin University, Tianjin (China); Department of Material Science and Engineering, Virginia Tech (United States); Li, Xin, E-mail: xinli@tju.edu.cn [School of Material Science and Engineering, and Tianjin Key Laboratory of Advanced Joining Technology, Tianjin University, Tianjin (China); Lu, Guo-Quan [School of Material Science and Engineering, and Tianjin Key Laboratory of Advanced Joining Technology, Tianjin University, Tianjin (China); Department of Material Science and Engineering, Virginia Tech (United States); Mei, Yun-Hui [School of Material Science and Engineering, and Tianjin Key Laboratory of Advanced Joining Technology, Tianjin University, Tianjin (China)

2016-04-13

The nanosilver sintering die-attach technique has been a promising alternative for wide band gap semiconductors. However, it is less preferable in industry because of its high sintering temperature. Recently research has been initiated to develop transient liquid phase sintering (TLPS) solder paste for use in electronics packaging. In this article, in order to lower the sintering temperature of nanosilver paste, we develop a novel tin (up to 10 wt%) doped silver paste (TDSP) and a sintering profile with the highest processing temperature of 235 °C based on TLPS. Sintered TDSP is Ag/Ag{sub 3}Sn/Ag–Sn solid solution composites. The composites have a microstructure of Ag matrix grains reinforced by Ag{sub 3}Sn and Ag–Sn solid solution within the matrix grains. And this microstructure endows the sintered Ag+4%Sn with a pressureless bonding strength of 23 MPa. The improved mechanical properties of sintered TDSP are attributed to second-phase strengthening and solid solution strengthening mechanisms. However, the overmuch formation of brittle Ag{sub 3}Sn phase is the main reason resulting in sharp decrease of bonding strength when the Sn content over 5 wt%. The new TDSP technology is expected to be applicable to a wide range of power semiconductors devices, such as organic devices and printed circuit boards. Furthermore, it provides new strategies for low-temperature sintering.

Responses to social and environmental stress are attenuated by strong male bonds in wild macaques

Science.gov (United States)

Young, Christopher; Majolo, Bonaventura; Heistermann, Michael; Schülke, Oliver; Ostner, Julia

2014-01-01

In humans and obligatory social animals, individuals with weak social ties experience negative health and fitness consequences. The social buffering hypothesis conceptualizes one possible mediating mechanism: During stressful situations the presence of close social partners buffers against the adverse effects of increased physiological stress levels. We tested this hypothesis using data on social (rate of aggression received) and environmental (low temperatures) stressors in wild male Barbary macaques (Macaca sylvanus) in Morocco. These males form strong, enduring, and equitable affiliative relationships similar to human friendships. We tested the effect of the strength of a male’s top three social bonds on his fecal glucocorticoid metabolite (fGCM) levels as a function of the stressors’ intensity. The attenuating effect of stronger social bonds on physiological stress increased both with increasing rates of aggression received and with decreasing minimum daily temperature. Ruling out thermoregulatory and immediate effects of social interactions on fGCM levels, our results indicate that male Barbary macaques employ a tend-and-befriend coping strategy in the face of increased environmental as well as social day-to-day stressors. This evidence of a stress-ameliorating effect of social bonding among males under natural conditions and beyond the mother–offspring, kin or pair bond broadens the generality of the social buffering hypothesis. PMID:25489097

Chiral magnetic effect search in p+Au, d+Au and Au+Au collisions at RHIC

Science.gov (United States)

Zhao, Jie

2018-01-01

Metastable domains of fluctuating topological charges can change the chirality of quarks and induce local parity violation in quantum chromodynamics. This can lead to observable charge separation along the direction of the strong magnetic field produced by spectator protons in relativistic heavy-ion collisions, a phenomenon called the chiral magnetic effect (CME). A major background source for CME measurements using the charge-dependent azimuthal correlator (Δϒ) is the intrinsic particle correlations (such as resonance decays) coupled with the azimuthal elliptical anisotropy (v2). In heavy-ion collisions, the magnetic field direction and event plane angle are correlated, thus the CME and the v2-induced background are entangled. In this report, we present two studies from STAR to shed further lights on the background issue. (1) The Δϒ should be all background in small system p+Au and d+Au collisions, because the event plane angles are dominated by geometry fluctuations uncorrelated to the magnetic field direction. However, significant Δϒ is observed, comparable to the peripheral Au+Au data, suggesting a background dominance in the latter, and likely also in the mid-central Au+Au collisions where the multiplicity and v2 scaled correlator is similar. (2) A new approach is devised to study Δϒ as a function of the particle pair invariant mass (minv) to identify the resonance backgrounds and hence to extract the possible CME signal. Signal is consistent with zero within uncertainties at high minv. Signal at low minv, extracted from a two-component model assuming smooth mass dependence, is consistent with zero within uncertainties.

Observation of Au + Au → Au + Au + ρ0 and Au + Au → Au* + Au* + ρ0 with STAR

International Nuclear Information System (INIS)

Spencer, K.

2002-01-01

First observation of the reactions Au + Au → Au + Au + ρ 0 and Au + Au → Au* + Au* + ρ 0 with the STAR detector are reported. The ρ are produced at small perpendicular momentum, as expected if they couple coherently to both nuclei. Models of vector meson production and the correlation with nuclear breakup are discussed, as well as a fundamental test of quantum mechanics that is possible with the system. (author)

Ternary electrocatalysts for oxidizing ethanol to carbon dioxide: making ir capable of splitting C-C bond.

Science.gov (United States)

Li, Meng; Cullen, David A; Sasaki, Kotaro; Marinkovic, Nebojsa S; More, Karren; Adzic, Radoslav R

2013-01-09

Splitting the C-C bond is the main obstacle to electrooxidation of ethanol (EOR) to CO(2). We recently demonstrated that the ternary PtRhSnO(2) electrocatalyst can accomplish that reaction at room temperature with Rh having a unique capability to split the C-C bond. In this article, we report the finding that Ir can be induced to split the C-C bond as a component of the ternary catalyst. We characterized and compared the properties of several carbon-supported nanoparticle (NP) electrocatalysts comprising a SnO(2) NP core decorated with multimetallic nanoislands (MM' = PtIr, PtRh, IrRh, PtIrRh) prepared using a seeded growth approach. An array of characterization techniques were employed to establish the composition and architecture of the synthesized MM'/SnO(2) NPs, while electrochemical and in situ infrared reflection absorption spectroscopy studies elucidated trends in activity and the nature of the reaction intermediates and products. Both EOR reactivity and selectivity toward CO(2) formation of several of these MM'/SnO(2)/C electrocatalysts are significantly higher compared to conventional Pt/C and Pt/SnO(2)/C catalysts. We demonstrate that the PtIr/SnO(2)/C catalyst with high Ir content shows outstanding catalytic properties with the most negative EOR onset potential and reasonably good selectivity toward ethanol complete oxidation to CO(2).

Interaction between benzenedithiolate and gold: Classical force field for chemical bonding

Science.gov (United States)

Leng, Yongsheng; Krstić, Predrag S.; Wells, Jack C.; Cummings, Peter T.; Dean, David J.

2005-06-01

We have constructed a group of classical potentials based on ab initio density-functional theory (DFT) calculations to describe the chemical bonding between benzenedithiolate (BDT) molecule and gold atoms, including bond stretching, bond angle bending, and dihedral angle torsion involved at the interface between the molecule and gold clusters. Three DFT functionals, local-density approximation (LDA), PBE0, and X3LYP, have been implemented to calculate single point energies (SPE) for a large number of molecular configurations of BDT-1, 2 Au complexes. The three DFT methods yield similar bonding curves. The variations of atomic charges from Mulliken population analysis within the molecule/metal complex versus different molecular configurations have been investigated in detail. We found that, except for bonded atoms in BDT-1, 2 Au complexes, the Mulliken partial charges of other atoms in BDT are quite stable, which significantly reduces the uncertainty in partial charge selections in classical molecular simulations. Molecular-dynamics (MD) simulations are performed to investigate the structure of BDT self-assembled monolayer (SAM) and the adsorption geometry of S adatoms on Au (111) surface. We found that the bond-stretching potential is the most dominant part in chemical bonding. Whereas the local bonding geometry of BDT molecular configuration may depend on the DFT functional used, the global packing structure of BDT SAM is quite independent of DFT functional, even though the uncertainty of some force-field parameters for chemical bonding can be as large as ˜100%. This indicates that the intermolecular interactions play a dominant role in determining the BDT SAMs global packing structure.

Room-Temperature Synthesis of Thiostannates from {[Ni(tren)]2[Sn2S6]}n.

Science.gov (United States)

Hilbert, Jessica; Näther, Christian; Weihrich, Richard; Bensch, Wolfgang

2016-08-15

The compound {[Ni(tren)]2[Sn2S6]}n (1) (tren = tris(2-aminoethyl)amine, C6H18N4) was successfully applied as source for the room-temperature synthesis of the new thiostannates [Ni(tren)(ma)(H2O)]2[Sn2S6]·4H2O (2) (ma = methylamine, CH5N) and [Ni(tren)(1,2-dap)]2[Sn2S6]·2H2O (3) (1,2-dap = 1,2-diaminopropane, C3H10N2). The Ni-S bonds in the Ni2S2N8 bioctahedron in the structure of 1 are analyzed with density functional theory calculations demonstrating significantly differing Ni-S bond strengths. Because of this asymmetry they are easily broken in the presence of an excess of ma or 1,2-dap immediately followed by Ni-N bond formation to N donor atoms of the amine ligands thus generating [Ni(tren)(amine)](2+) complexes. The chemical reactions are fast, and compounds 2 and 3 are formed within 1 h. The synthesis concept presented here opens hitherto unknown possibilities for preparation of new thiostannates.

Evidence from d+Au measurements for final-state suppression of high-p(T) hadrons in Au+Au collisions at RHIC.

Science.gov (United States)

Adams, J; Adler, C; Aggarwal, M M; Ahammed, Z; Amonett, J; Anderson, B D; Anderson, M; Arkhipkin, D; Averichev, G S; Badyal, S K; Balewski, J; Barannikova, O; Barnby, L S; Baudot, J; Bekele, S; Belaga, V V; Bellwied, R; Berger, J; Bezverkhny, B I; Bhardwaj, S; Bhaskar, P; Bhati, A K; Bichsel, H; Billmeier, A; Bland, L C; Blyth, C O; Bonner, B E; Botje, M; Boucham, A; Brandin, A; Bravar, A; Cadman, R V; Cai, X Z; Caines, H; Calderón de la Barca Sánchez, M; Carroll, J; Castillo, J; Castro, M; Cebra, D; Chaloupka, P; Chattopadhyay, S; Chen, H F; Chen, Y; Chernenko, S P; Cherney, M; Chikanian, A; Choi, B; Christie, W; Coffin, J P; Cormier, T M; Cramer, J G; Crawford, H J; Das, D; Das, S; Derevschikov, A A; Didenko, L; Dietel, T; Dong, X; Draper, J E; Du, F; Dubey, A K; Dunin, V B; Dunlop, J C; Dutta Majumdar, M R; Eckardt, V; Efimov, L G; Emelianov, V; Engelage, J; Eppley, G; Erazmus, B; Fachini, P; Faine, V; Faivre, J; Fatemi, R; Filimonov, K; Filip, P; Finch, E; Fisyak, Y; Flierl, D; Foley, K J; Fu, J; Gagliardi, C A; Ganti, M S; Gagunashvili, N; Gans, J; Gaudichet, L; Germain, M; Geurts, F; Ghazikhanian, V; Ghosh, P; Gonzalez, J E; Grachov, O; Grigoriev, V; Gronstal, S; Grosnick, D; Guedon, M; Guertin, S M; Gupta, A; Gushin, E; Gutierrez, T D; Hallman, T J; Hardtke, D; Harris, J W; Heinz, M; Henry, T W; Heppelmann, S; Herston, T; Hippolyte, B; Hirsch, A; Hjort, E; Hoffmann, G W; Horsley, M; Huang, H Z; Huang, S L; Humanic, T J; Igo, G; Ishihara, A; Jacobs, P; Jacobs, W W; Janik, M; Johnson, I; Jones, P G; Judd, E G; Kabana, S; Kaneta, M; Kaplan, M; Keane, D; Kiryluk, J; Kisiel, A; Klay, J; Klein, S R; Klyachko, A; Koetke, D D; Kollegger, T; Konstantinov, A S; Kopytine, M; Kotchenda, L; Kovalenko, A D; Kramer, M; Kravtsov, P; Krueger, K; Kuhn, C; Kulikov, A I; Kumar, A; Kunde, G J; Kunz, C L; Kutuev, R Kh; Kuznetsov, A A; Lamont, M A C; Landgraf, J M; Lange, S; Lansdell, C P; Lasiuk, B; Laue, F; Lauret, J; Lebedev, A; Lednický, R; Leontiev, V M; LeVine, M J; Li, C; Li, Q; Lindenbaum, S J; Lisa, M A; Liu, F; Liu, L; Liu, Z; Liu, Q J; Ljubicic, T; Llope, W J; Long, H; Longacre, R S; Lopez-Noriega, M; Love, W A; Ludlam, T; Lynn, D; Ma, J; Ma, Y G; Magestro, D; Mahajan, S; Mangotra, L K; Mahapatra, D P; Majka, R; Manweiler, R; Margetis, S; Markert, C; Martin, L; Marx, J; Matis, H S; Matulenko, Yu A; McShane, T S; Meissner, F; Melnick, Yu; Meschanin, A; Messer, M; Miller, M L; Milosevich, Z; Minaev, N G; Mironov, C; Mishra, D; Mitchell, J; Mohanty, B; Molnar, L; Moore, C F; Mora-Corral, M J; Morozov, V; de Moura, M M; Munhoz, M G; Nandi, B K; Nayak, S K; Nayak, T K; Nelson, J M; Nevski, P; Nikitin, V A; Nogach, L V; Norman, B; Nurushev, S B; Odyniec, G; Ogawa, A; Okorokov, V; Oldenburg, M; Olson, D; Paic, G; Pandey, S U; Pal, S K; Panebratsev, Y; Panitkin, S Y; Pavlinov, A I; Pawlak, T; Perevoztchikov, V; Peryt, W; Petrov, V A; Phatak, S C; Picha, R; Planinic, M; Pluta, J; Porile, N; Porter, J; Poskanzer, A M; Potekhin, M; Potrebenikova, E; Potukuchi, B V K S; Prindle, D; Pruneau, C; Putschke, J; Rai, G; Rakness, G; Raniwala, R; Raniwala, S; Ravel, O; Ray, R L; Razin, S V; Reichhold, D; Reid, J G; Renault, G; Retiere, F; Ridiger, A; Ritter, H G; Roberts, J B; Rogachevski, O V; Romero, J L; Rose, A; Roy, C; Ruan, L J; Rykov, V; Sahoo, R; Sakrejda, I; Salur, S; Sandweiss, J; Savin, I; Schambach, J; Scharenberg, R P; Schmitz, N; Schroeder, L S; Schweda, K; Seger, J; Seliverstov, D; Seyboth, P; Shahaliev, E; Shao, M; Sharma, M; Shestermanov, K E; Shimanskii, S S; Singaraju, R N; Simon, F; Skoro, G; Smirnov, N; Snellings, R; Sood, G; Sorensen, P; Sowinski, J; Spinka, H M; Srivastava, B; Stanislaus, S; Stock, R; Stolpovsky, A; Strikhanov, M; Stringfellow, B; Struck, C; Suaide, A A P; Sugarbaker, E; Suire, C; Sumbera, M; Surrow, B; Symons, T J M; Szanto de Toledo, A; Szarwas, P; Tai, A; Takahashi, J; Tang, A H; Thein, D; Thomas, J H; Tikhomirov, V; Tokarev, M; Tonjes, M B; Trainor, T A; Trentalange, S; Tribble, R E; Trivedi, M D; Trofimov, V; Tsai, O; Ullrich, T; Underwood, D G; Van Buren, G; VanderMolen, A M; Vasiliev, A N; Vasiliev, M; Vigdor, S E; Viyogi, Y P; Voloshin, S A; Waggoner, W; Wang, F; Wang, G; Wang, X L; Wang, Z M; Ward, H; Watson, J W; Wells, R; Westfall, G D; Whitten, C; Wieman, H; Willson, R; Wissink, S W; Witt, R; Wood, J; Wu, J; Xu, N; Xu, Z; Xu, Z Z; Yakutin, A E; Yamamoto, E; Yang, J; Yepes, P; Yurevich, V I; Zanevski, Y V; Zborovský, I; Zhang, H; Zhang, H Y; Zhang, W M; Zhang, Z P; Zołnierczuk, P A; Zoulkarneev, R; Zoulkarneeva, J; Zubarev, A N

2003-08-15

We report measurements of single-particle inclusive spectra and two-particle azimuthal distributions of charged hadrons at high transverse momentum (high p(T)) in minimum bias and central d+Au collisions at sqrt[s(NN)]=200 GeV. The inclusive yield is enhanced in d+Au collisions relative to binary-scaled p+p collisions, while the two-particle azimuthal distributions are very similar to those observed in p+p collisions. These results demonstrate that the strong suppression of the inclusive yield and back-to-back correlations at high p(T) previously observed in central Au+Au collisions are due to final-state interactions with the dense medium generated in such collisions.

Diffusion barrier characteristics and shear fracture behaviors of eutectic PbSn solder/electroless Co(W,P) samples

International Nuclear Information System (INIS)

Pan, Hung-Chun; Hsieh, Tsung-Eong

2012-01-01

Highlights: ► Diffusion barrier features, activation energies of IMC growth and mechanical behaviors of electroless Co(W,P)/PbSn joints. ► Amorphous Co(W,P) is a sacrificial- plus stuffed-type barrier while polycrystalline Co(W,P) is a sacrificial-type barrier. ► Ductile mode dominates the failure of Co(W,P)/PbSn joints. ► Phosphorus content of Co(W,P) is crucial to the barrier capability and microstructure evolution at Co(W,P)/PbSn interface. ► Diffusion barrier capability is governed by the nature of chemical bonds, rather than the crystallinity of materials. - Abstract: Diffusion barrier characteristics, activation energy (E a ) of IMC growth and bonding properties of amorphous and polycrystalline electroless Co(W,P) (termed as α-Co(W,P) and poly-Co(W,P)) to eutectic PbSn solder are presented. Intermetallic compound (IMC) spallation and an nano-crystalline P-rich layer were observed in PbSn/α-Co(W,P) samples subjected to liquid-state aging at 250 °C. In contrast, IMCs resided on the P-rich layer in PbSn/α-Co(W,P) samples subjected to solid-state aging at 150 °C. Thick IMCs neighboring to an amorphous W-rich layer was seen in PbSn/poly-Co(W,P) samples regardless of the aging type. α-Co(W,P) was found to be a sacrificial- plus stuffed-type barrier while poly-Co(W,P) is mainly a sacrificial-type barrier. The values of E a 's for PbSn/α-Co(W,P) and PbSn/poly-Co(W,P) systems were 338.6 and 167.5 kJ/mol, respectively. Shear test revealed the ductile mode dominates the failure in both α- and poly-Co(W,P) samples. Analytical results indicated the high P content in electroless layer might enhance the barrier capability but degrade the bonding strength.

An accurate redetermination of the sup 1 sup 1 sup 8 Sn binding energy

CERN Document Server

Borzakov, S B; Faikow-Stanczyk, H; Grigoriev, Y V; Panteleev, T; Pospísil, S; Smotritsky, L M; Telezhnikov, S A

2002-01-01

The energy of well-known strong gamma line from sup 1 sup 9 sup 8 Au, the 'gold standard', has been modified in the light of new adjustments in the fundamental constants and the value of 411.80176(12) keV was determined, which is 0.29 eV lower than the latest 1999 value. An energy calibration procedure for determining the neutron binding energy, B sub n , from complicated (n, gamma) spectra has been developed. A mathematically simple minimization function consisting only of terms having as parameters the coefficients of the energy calibration curve (polynomial) is used. A priori information about the relationships among the energies of different peaks on the spectrum is taken into account by a Monte-Carlo simulation. The procedure was used in obtaining B sub n for sup 1 sup 1 sup 8 Sn. The gamma-ray spectrum from thermal neutron radiative capture by sup 1 sup 1 sup 7 Sn has been measured on the IBR-2 pulsed reactor. gamma-rays were detected by a 72 cm sup 3 HPGe detector. For a better determination of B sub n...

Strong ground motion in Port-au-Prince, Haiti, during the M7.0 12 January 2010 Haiti earthquake

Science.gov (United States)

Hough, Susan E; Given, Doug; Taniguchi, Tomoyo; Altidor, J.R.; Anglade, Dieuseul; Mildor, S-L.

2011-01-01

No strong motion records are available for the 12 January 2010 M7.0 Haiti earthquake. We use aftershock recordings as well as detailed considerations of damage to estimate the severity and distribution of mainshock shaking in Port-au-Prince. Relative to ground motions at a hard - rock reference site, peak accelerations are amplified by a factor of approximately 2 at sites on low-lying deposits in central Port-au-Prince and by a factor of 2.5 - 3.5 on a steep foothill ridge in the southern Port-au-Prince metropolitan region. The observed amplification along the ridge cannot be explained by sediment - induced amplification , but is consistent with predicted topographic amplification by a steep, narrow ridge. Although damage was largely a consequence of poor construction , the damage pattern inferred from analysis of remote sensing imagery provides evidence for a correspondence between small-scale (0.1 - 1.0 km) topographic relief and high damage. Mainshock shaking intensity can be estimated crudely from a consideration of macroseismic effects . We further present detailed, quantitative analysis of the marks left on a tile floor by an industrial battery rack displaced during the mainshock, at the location where we observed the highest weak motion amplifications. Results of this analysis indicate that mainshock shaking was significantly higher at this location (~0.5 g , MMI VIII) relative to the shaking in parts of Port-au-Prince that experienced light damage. Our results further illustrate how observations of rigid body horizontal displacement during earthquakes can be used to estimate peak ground accelerations in the absence of instrumental data .

Smart supramolecular sensing with cucurbit[n]urils: probing hydrogen bonding with SERS.

Science.gov (United States)

de Nijs, Bart; Kamp, Marlous; Szabó, Istvan; Barrow, Steven J; Benz, Felix; Wu, Guanglu; Carnegie, Cloudy; Chikkaraddy, Rohit; Wang, Wenting; Deacon, William M; Rosta, Edina; Baumberg, Jeremy J; Scherman, Oren A

2017-12-04

Rigid gap nano-aggregates of Au nanoparticles formed using cucurbit[n]uril (CB[n]) molecules are used to investigate the competitive binding of ethanol and methanol in an aqueous environment. We show it is possible to detect as little as 0.1% methanol in water and a ten times higher affinity to methanol over ethanol, making this a useful technology for quality control in alcohol production. We demonstrate strong interaction effects in the SERS peaks, which we demonstrate are likely from the hydrogen bonding of water complexes in the vicinity of the CB[n]s.

Dynamic high pressure induced strong and weak hydrogen bonds enhanced by pre-resonance stimulated Raman scattering in liquid water.

Science.gov (United States)

Wang, Shenghan; Fang, Wenhui; Li, Fabing; Gong, Nan; Li, Zhanlong; Li, Zuowei; Sun, Chenglin; Men, Zhiwei

2017-12-11

355 nm pulsed laser is employed to excite pre-resonance forward stimulated Raman scattering (FSRS) of liquid water at ambient temperature. Due to the shockwave induced dynamic high pressure, the obtained Raman spectra begin to exhibit double peaks distribution at 3318 and 3373 cm -1 with the input energy of 17 mJ,which correspond with OH stretching vibration with strong and weak hydrogen (H) bonds. With laser energy rising from 17 to 27 mJ, the Stokes line at 3318 cm -1 shifts to 3255 and 3230 cm -1 because of the high pressure being enlarged. When the energy is up to 32 mJ, only 3373 cm -1 peak exists. The strong and weak H bond exhibit quite different energy dependent behaviors.

Binding SnO2 nanocrystals in nitrogen-doped graphene sheets as anode materials for lithium-ion batteries.

Science.gov (United States)

Zhou, Xiaosi; Wan, Li-Jun; Guo, Yu-Guo

2013-04-18

Hybrid anode materials for Li-ion batteries are fabricated by binding SnO2 nanocrystals (NCs) in nitrogen-doped reduced graphene oxide (N-RGO) sheets by means of an in situ hydrazine monohydrate vapor reduction method. The SnO2NCs in the obtained SnO2NC@N-RGO hybrid material exhibit exceptionally high specific capacity and high rate capability. Bonds formed between graphene and SnO2 nanocrystals limit the aggregation of in situ formed Sn nanoparticles, leading to a stable hybrid anode material with long cycle life. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Binding Affinity of a Highly Sensitive Au/Ag/Au/Chitosan-Graphene Oxide Sensor Based on Direct Detection of Pb2+ and Hg2+ Ions

Directory of Open Access Journals (Sweden)

Nur Hasiba Kamaruddin

2017-10-01

Full Text Available The study of binding affinity is essential in surface plasmon resonance (SPR sensing because it allows researchers to quantify the affinity between the analyte and immobilised ligands of an SPR sensor. In this study, we demonstrate the derivation of the binding affinity constant, K, for Pb2+ and Hg2+ ions according to their SPR response using a gold/silver/gold/chitosan–graphene oxide (Au/Ag/Au/CS–GO sensor for the concentration range of 0.1–5 ppm. The higher affinity of Pb2+ to binding with the CS–GO sensor explains the outstanding sensitivity of 2.05 °ppm−1 against 1.66 °ppm−1 of Hg2+. The maximum signal-to-noise ratio (SNR upon detection of Pb2+ is 1.53, and exceeds the suggested logical criterion of an SNR. The Au/Ag/Au/CS–GO SPR sensor also exhibits excellent repeatability in Pb2+ due to the strong bond between its functional groups and this cation. The adsorption data of Pb2+ and Hg2+ on the CS–GO sensor fits well with the Langmuir isotherm model where the affinity constant, K, of Pb2+ and Hg2+ ions is computed. The affinity of Pb2+ ions to the Au/Ag/Au/CS–GO sensor is significantly higher than that of Hg2+ based on the value of K, 7 × 105 M−1 and 4 × 105 M−1, respectively. The higher shift in SPR angles due to Pb2+ and Hg2+ compared to Cr3+, Cu2+ and Zn2+ ions also reveals the greater affinity of the CS–GO SPR sensor to them, thus supporting the rationale for obtaining K for these two heavy metals. This study provides a better understanding on the sensing performance of such sensors in detecting heavy metal ions.

Study of superconducting Nb{sub 3}Sn coils; Etude de bobinages supraconducteurs en Nb{sub 3}Sn

Energy Technology Data Exchange (ETDEWEB)

Vivet, B

1963-07-01

Composite superconducting Nb{sub 3}Sn wires with a diameter of 0.5 mm and a length of about 100 m were made, and Hc-Ic diagrams were plotted up to fields of 80 kgauss for short lengths. Two solenoids producing fields of about 20 kgauss were studied. Nb{sub 3}Sn solenoids, as opposed to those of Nb-Zr or Nb-Ti, appear to have a predictable behavior. Solenoids with less insulation produced stronger fields than heavily insulated solenoids. (author) [French] Une etude des fils composites supraconducteurs de Nb{sub 3}Sn a ete entreprise au C.E.N. Saclay, en collaboration avec la Societe S.O.D.E.R.X. Des fils de 0,5 mm de diametre et d'une centaine de metres de longueur ont ete produits de facon experimentale. Des diagrammes Hc-Ic ont pu etre traces, jusqu'en des champs de 80 kG, sur des echantillons de petite longueur. Deux solenoides ont ete etudies produisant les champs de l'ordre de 20 kg. Il semble que, contrairement aux alliages Nb-Zr ou Nb-Ti, les solenoides en Nb{sub 3}Sn aient un comportement previsible d'apres les tests sur des echantillons courts. On montrera d'autre part qu'un bobinage a faible isolement peut produire un champ notablement plus eleve qu'un bobinage isole. Une production plus extensive permettra, dans les semaines a venir, la fabrication de solenoides de plus grosse dimension et produisant des champs plus eleves. (auteur)

Ethanol electrooxidation on novel carbon supported Pt/SnO{sub x}/C catalysts with varied Pt:Sn ratio

Energy Technology Data Exchange (ETDEWEB)

Jiang, L. [Institute of Surface Chemistry and Catalysis, Ulm University, D-89069 Ulm (Germany); Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 116023 Dalian (China); Colmenares, L.; Jusys, Z. [Institute of Surface Chemistry and Catalysis, Ulm University, D-89069 Ulm (Germany); Sun, G.Q. [Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 116023 Dalian (China)], E-mail: gqsun@dicp.ac.cn; Behm, R.J. [Institute of Surface Chemistry and Catalysis, Ulm University, D-89069 Ulm (Germany)], E-mail: juergen.behm@uni-ulm.de

2007-12-01

Novel carbon supported Pt/SnO{sub x}/C catalysts with Pt:Sn atomic ratios of 5:5, 6:4, 7:3 and 8:2 were prepared by a modified polyol method and characterized with respect to their structural properties (X-ray diffraction (XRD) and transmission electron microscopy (TEM)), chemical composition (XPS), their electrochemical properties (base voltammetry, CO{sub ad} stripping) and their electrocatalytic activity and selectivity for ethanol oxidation (ethanol oxidation reaction (EOR)). The data show that the Pt/SnO{sub x}/C catalysts are composed of Pt and tin oxide nanoparticles with an average Pt particle diameter of about 2 nm. The steady-state activity of the Pt/SnO{sub x}/C catalysts towards the EOR decreases with tin content at room temperature, but increases at 80 deg. C. On all Pt/SnO{sub x}/C catalysts, acetic acid and acetaldehyde represent dominant products, CO{sub 2} formation contributes 1-3% for both potentiostatic and potentiodynamic reaction conditions. With increasing potential, the acetaldehyde yield decreases and the acetic acid yield increases. The apparent activation energies of the EOR increase with tin content (19-29 kJ mol{sup -1}), but are lower than on Pt/C (32 kJ mol{sup -1}). The somewhat better performance of the Pt/SnO{sub x}/C catalysts compared to alloyed PtSn{sub x}/C catalysts is attributed to the presence of both sufficiently large Pt ensembles for ethanol dehydrogenation and C-C bond splitting and of tin oxide for OH generation. Fuel cell measurements performed for comparison largely confirm the results obtained in model studies.

Solid-liquid interdiffusion (SLID) bonding in the Au–In system: experimental study and 1D modelling

International Nuclear Information System (INIS)

Deillon, Léa; Hessler-Wyser, Aïcha; Hessler, Thierry; Rappaz, Michel

2015-01-01

Au–In bonds with a nominal composition of about 60 at.% In were fabricated for use in wafer-level packaging of MEMS. The microstructure of the bonds was studied by scanning electron microscopy. The bond hermeticity was then assessed using oxidation of Cu thin discs predeposited within the sealed packages. The three intermetallic compounds AuIn 2 , AuIn and Au 7 In 3 were observed. Their thickness evolution during bonding and after subsequent heat treatment was successfully modelled using a finite difference model of diffusion, thermodynamic data and diffusion coefficients calibrated from isothermal diffusion couples. 17% of the packages were hermetic and, although the origin of the leaks could not be clearly identified, it appeared that hermeticity was correlated with the unevenness of the metallisation and/or wafer and the fact that the bonds shrink due to density differences as the relative fractions of the various phases gradually evolve. (paper)

SN 2011A: A Low-luminosity Interacting Transient with a Double Plateau and Strong Sodium Absorption

Science.gov (United States)

de Jaeger, T.; Anderson, J. P.; Pignata, G.; Hamuy, M.; Kankare, E.; Stritzinger, M. D.; Benetti, S.; Bufano, F.; Elias-Rosa, N.; Folatelli, G.; Förster, F.; González-Gaitán, S.; Gutiérrez, C. P.; Inserra, C.; Kotak, R.; Lira, P.; Morrell, N.; Taddia, F.; Tomasella, L.

2015-07-01

We present optical photometry and spectroscopy of the optical transient SN 2011A. Our data span 140 days after discovery including {BVRI} u\\prime g\\prime r\\prime i\\prime z\\prime photometry and 11 epochs of optical spectroscopy. Originally classified as a type IIn supernova (SN IIn) due to the presence of narrow Hα emission, this object shows exceptional characteristics. First, the light curve shows a double plateau, a property only observed before in the impostor SN 1997bs. Second, SN 2011A has a very low luminosity ({M}V=-15.72), placing it between normal luminous SNe IIn and SN impostors. Third, SN 2011A shows low velocity and high equivalent width absorption close to the sodium doublet, which increases with time and is most likely of circumstellar origin. This evolution is also accompanied by a change in line profile; when the absorption becomes stronger, a P Cygni profile appears. We discuss SN 2011A in the context of interacting SNe IIn and SN impostors, which appears to confirm the uniqueness of this transient. While we favor an impostor origin for SN 2011A, we highlight the difficulty in differentiating between terminal and non-terminal interacting transients. This paper includes data obtained with the 6.5 m Magellan Telescopes and du Pont telescope; the Gemini-North Telescope, Mauna Kea, USA (Gemini Program GN-2010B-Q67, PI: Stritzinger); the PROMPT telescopes at Cerro Tololo Inter-American Observatory in Chile; with the Liverpool Telescope operated on the island of La Palma by Liverpool John Moores University in the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofisica de Canarias with financial support from the UK Science and Technology Facilities Council; based on observations made with the Nordic Optical Telescope, operated by the Nordic Optical Telescope Scientific Association at the Observatorio del Roque de los Muchachos, La Palma, Spain, of the Instituto de Astrofisica de Canarias; the NTT from ESO Science Archive

Molecular dynamics simulation of joining process of Ag-Au nanowires and mechanical properties of the hybrid nanojoint

Directory of Open Access Journals (Sweden)

Su Ding

2015-05-01

Full Text Available The nanojoining process of Ag-Au hybrid nanowires at 800K was comprehensively studied by virtue of molecular dynamics (MD simulation. Three kinds of configurations including end-to-end, T-like and X-like were built in the simulation aiming to understand the nanojoining mechanism. The detailed dynamic evolution of atoms, crystal structure transformation and defects development during the nanojoining processes were performed. The results indicate that there are two stages in the nanojoining process of Ag-Au nanowires which are atom diffusion and new bonds formation. Temperature is a key parameter affecting both stages ascribed to the energy supply and the optimum temperature for Ag-Au nanojoint with diameter of 4.08 nm has been discussed. The mechanical properties of the nanojoint were examined with simulation of tensile test on the end-to-end joint. It was revealed that the nanojoint was strong enough to resist fracture at the joining area.

Whisker and Hillock formation on Sn, Sn-Cu and Sn-Pb electrodeposits

International Nuclear Information System (INIS)

Boettinger, W.J.; Johnson, C.E.; Bendersky, L.A.; Moon, K.-W.; Williams, M.E.; Stafford, G.R.

2005-01-01

High purity bright Sn, Sn-Cu and Sn-Pb layers, 3, 7 and 16 μm thick were electrodeposited on phosphor bronze cantilever beams in a rotating disk apparatus. Beam deflection measurements within 15 min of plating proved that all electrodeposits had in-plane compressive stress. In several days, the surfaces of the Sn-Cu deposits, which have the highest compressive stress, develop 50 μm contorted hillocks and 200 μm whiskers, pure Sn deposits develop 20 μm compact conical hillocks, and Sn-Pb deposits, which have the lowest compressive stress, remain unchanged. The differences between the initial compressive stresses for each alloy and pure Sn is due to the rapid precipitation of Cu 6 Sn 5 or Pb particles, respectively, within supersaturated Sn grains produced by electrodeposition. Over longer time, analysis of beam deflection measurements indicates that the compressive stress is augmented by the formation of Cu 6 Sn 5 on the bronze/Sn interface, while creep of the electrodeposit tends to decrease the compressive stress. Uniform creep occurs for Sn-Pb because it has an equi-axed grain structure. Localized creep in the form of hillocks and whiskers occurs for Sn and Sn-Cu because both have columnar structures. Compact hillocks form for the Sn deposits because the columnar grain boundaries are mobile. Contorted hillocks and whiskers form for the Sn-Cu deposits because the columnar grain boundary motion is impeded

A density functional theory study on the conversion of ethylene to carbon monomer on PdAu(1 0 0) surface

Energy Technology Data Exchange (ETDEWEB)

Zhang, Minhua; Yang, Bing [Key Laboratory for Green Chemical Technology of Ministry of Education, R& D Center for Petrochemical Technology, Tianjin University, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin 300072 (China); Yu, Yingzhe, E-mail: yzhyu@tju.edu.cn [Key Laboratory for Green Chemical Technology of Ministry of Education, R& D Center for Petrochemical Technology, Tianjin University, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin 300072 (China)

2015-11-30

Graphical abstract: - Highlights: • The successive decomposition of ethylene on PdAu(1 0 0) was studied with DFT method. • The C−H, C−C bond scission and a hydrogen-shift process were investigated. • The alloying of Au with Pd affects the studied reactions on PdAu(1 0 0) greatly. - Abstract: Calculations based on the first-principles density functional theory (DFT) were performed to study the possible transformation pathways of ethylene on PdAu(1 0 0) surface to investigate the effect of Au atom alloying with Pd on the formation of CHx (x = 0–2), which may eventually form carbon monomer and lead to the deactivation of catalysts. The energetic properties of reactions including the scission of the C−H, C−C bond and a hydrogen-shift process were determined. The C−H bond scission is confirmed to be prone to happen on the studied surface, while it is difficult for the C−C bond scission to occur due to relatively high barriers, the values of which are as high as 2.72–4.62 eV. The activation barriers for all related reactions except for the dehydrogenation of vinyl, vinylidene and acetenyl demonstrate that it is harder for the conversion of ethylene to occur on PdAu(1 0 0) surface than on Pd(1 0 0) surface, especially for the C−C bond scission. All the results indicate that the alloying of Au atom with pure Pd catalyst can prevent the formation of carbon monomer, which may notably affect properties of catalysts.

Summary of George Mason University SN1987A workshop

International Nuclear Information System (INIS)

van den Bergh, S.

1990-01-01

The author summaries studies of SN 1987A. This discussion focuses on how theories of core collapse in supernovae have been confirmed by observations of neutrinos produced by SN1987A and observations of the exponential tail of the light curve of SN1987A give strong support to the prediction that this phase of supernova light curves is powered by 56 Co decay

Effect of Au Precursor and Support on the Catalytic Activity of the Nano-Au-Catalysts for Propane Complete Oxidation

Directory of Open Access Journals (Sweden)

Arshid M. Ali

2015-01-01

Full Text Available Catalytic activity of nano-Au-catalyst(s for the complete propane oxidation was investigated. The results showed that the nature of both Au precursor and support strongly influences catalytic activity of the Au-catalyst(s for the propane oxidation. Oxidation state, size, and dispersion of Au nanoparticles in the Au-catalysts, surface area, crystallinity, phase structure, and redox property of the support are the key aspects for the complete propane oxidation. Among the studied Au-catalysts, the AuHAuCl4-Ce catalyst is found to be the most active catalyst.

N-MOSFETs Formed on Solid Phase Epitaxially Grown GeSn Film with Passivation by Oxygen Plasma Featuring High Mobility.

Science.gov (United States)

Fang, Yung-Chin; Chen, Kuen-Yi; Hsieh, Ching-Heng; Su, Chang-Chia; Wu, Yung-Hsien

2015-12-09

Solid phase epitaxially grown GeSn was employed as the platform to assess the eligibility of direct O2 plasma treatment on GeSn surface for passivation of GeSn N-MOSFETs. It has been confirmed that O2 plasma treatment forms a GeSnO(x) film on the surface and the GeSnO(x) topped by in situ Al2O3 constitutes the gate stack of GeSn MOS devices. The capability of the surface passivation was evidenced by the low interface trap density (D(it)) of 1.62 × 10(11) cm(-2) eV(-1), which is primarily due to the formation of Ge-O and Sn-O bonds at the surface by high density/reactivity oxygen radicals that effectively suppress dangling bonds and decrease gap states. The good D(it) not only makes tiny frequency dispersion in the characterization of GeSn MOS capacitors, but results in GeSn N-MOSFETs with outstanding peak electron mobility as high as 518 cm(2)/(V s) which outperforms other devices reported in the literature due to reduced undesirable carrier scattering. In addition, the GeSn N-MOSFETs also exhibit promising characteristics in terms of acceptable subthreshold swing of 156 mV/dec and relatively large I(ON)/I(OFF) ratio more than 4 orders. Moreover, the robust reliability in terms small V(t) variation against high field stress attests the feasibility of using the O2 plasma-treated passivation to advanced GeSn technology.

Fabrication of high crystalline SnS and SnS2 thin films, and their switching device characteristics

Science.gov (United States)

Choi, Hyeongsu; Lee, Jeongsu; Shin, Seokyoon; Lee, Juhyun; Lee, Seungjin; Park, Hyunwoo; Kwon, Sejin; Lee, Namgue; Bang, Minwook; Lee, Seung-Beck; Jeon, Hyeongtag

2018-05-01

Representative tin sulfide compounds, tin monosulfide (SnS) and tin disulfide (SnS2) are strong candidates for future nanoelectronic devices, based on non-toxicity, low cost, unique structures and optoelectronic properties. However, it is insufficient for synthesizing of tin sulfide thin films using vapor phase deposition method which is capable of fabricating reproducible device and securing high quality films, and their device characteristics. In this study, we obtained highly crystalline SnS thin films by atomic layer deposition and obtained highly crystalline SnS2 thin films by phase transition of the SnS thin films. The SnS thin film was transformed into SnS2 thin film by annealing at 450 °C for 1 h in H2S atmosphere. This phase transition was confirmed by x-ray diffractometer and x-ray photoelectron spectroscopy, and we studied the cause of the phase transition. We then compared the film characteristics of these two tin sulfide thin films and their switching device characteristics. SnS and SnS2 thin films had optical bandgaps of 1.35 and 2.70 eV, and absorption coefficients of about 105 and 104 cm‑1 in the visible region, respectively. In addition, SnS and SnS2 thin films exhibited p-type and n-type semiconductor characteristics. In the images of high resolution-transmission electron microscopy, SnS and SnS2 directly showed a highly crystalline orthorhombic and hexagonal layered structure. The field effect transistors of SnS and SnS2 thin films exhibited on–off drain current ratios of 8.8 and 2.1 × 103 and mobilities of 0.21 and 0.014 cm2 V‑1 s‑1, respectively. This difference in switching device characteristics mainly depends on the carrier concentration because it contributes to off-state conductance and mobility. The major carrier concentrations of the SnS and SnS2 thin films were 6.0 × 1016 and 8.7 × 1013 cm‑3, respectively, in this experiment.

Effect of Sn Composition in Ge1- x Sn x Layers Grown by Using Rapid Thermal Chemical Vapor Deposition

Science.gov (United States)

Kil, Yeon-Ho; Kang, Sukill; Jeong, Tae Soo; Shim, Kyu-Hwan; Kim, Dae-Jung; Choi, Yong-Dae; Kim, Mi Joung; Kim, Taek Sung

2018-05-01

The Ge1- x Sn x layers were grown by using rapid thermal chemical-vapor deposition (RTCVD) on boron-doped p-type Si (100) substrates with Sn compositions up to x = 0.83%. In order to obtain effect of the Sn composition on the structural and the optical characteristics, we utilized highresolution X-ray diffraction (HR-XRD), etch pit density (EPD), atomic force microscopy (AFM), Raman spectroscopy, and photocurrent (PC) spectra. The Sn compositions in the Ge1- x Sn x layers were found to be of x = 0.00%, 0.51%, 0.65%, and 0.83%. The root-mean-square (RMS) of the surface roughness of the Ge1- x Sn x layer increased from 2.02 nm to 3.40 nm as the Sn composition was increased from 0.51% to 0.83%, and EPD was on the order of 108 cm-2. The Raman spectra consist of only one strong peak near 300 cm-1, which is assigned to the Ge-Ge LO peaks and the Raman peaks shift to the wave number with increasing Sn composition. Photocurrent spectra show near energy band gap peaks and their peak energies decrease with increasing Sn composition due to band-gap bowing in the Ge1- x Sn x layer. An increase in the band gap bowing parameter was observed with increasing Sn composition.

Crystal and electronic structure study of AgAu and AgCu bimetallic alloy thin films by X-ray techniques

Energy Technology Data Exchange (ETDEWEB)

Ozkendir, O. Murat, E-mail: ozkendir@gmail.com [Mersin University, Faculty of Technology, Energy Systems Engineering, Tarsus (Turkey); Mersin University, Institute of Natural Science, Department of Nanotechnology and Advanced Materials, Mersin (Turkey); Cengiz, E. [Karadeniz Technical University, Faculty of Science, Department of Physics, Trabzon (Turkey); Yalaz, E. [Mersin University, Institute of Natural Science, Department of Nanotechnology and Advanced Materials, Mersin (Turkey); Söğüt, Ö.; Ayas, D.H. [Kahramanmaraş Sütçü İmam Üniversitesi, Faculty of Science and Letters, Department of Physics, Kahramanmaraş (Turkey); Thammajak, B. Nirawat [Synchrotron Light Research Institute (Public Organisation), 111 University Avenue, T. Suranaree, A. Muang, Nakhon Ratchasima 30000 (Thailand)

2016-05-15

Highlights: • Crystal and electronic properties of bimetallic AgCu and AgAu alloy thin films were studied. • Both AgCu and AgAu bimetallic samples were determined to have cubic crystal geometry. • Strong influence of Cu and Au atoms on the electronic structure of the Ag atoms were determined. - Abstract: Crystal and electronic structure properties of bimetallic AgAu and AgCu alloy thin films were investigated by X-ray spectroscopic techniques. The aim of this study is to probe the influence of Au or Cu atoms on the electronic behaviors of Ag ions in bimetallic alloy materials that yields different crystal properties. To identify the mechanisms causing crystal phase transitions, study were supported by the collected EXAFS (Extended X-ray Absorption Fine Structure) data. Crystal structures of both Cu and Au doped bimetallic Ag samples were determined mainly in cubic geometry with “Fm3m” space group. Through the Ag–Au and Ag–Cu molecular interactions during bimetallic alloy formations, highly overlapped electronic levels that supports large molecular band formations were observed with different ionization states. Besides, traces of the d–d interactions in Au rich samples were determined as the main interplay in the broad molecular bond formations. The exact atomic locations and types in the samples were determined by EXAFS studies and supported by the performed calculations with FEFF scientific code.

SUPERLUMINOUS SUPERNOVA SN 2015bn IN THE NEBULAR PHASE: EVIDENCE FOR THE ENGINE-POWERED EXPLOSION OF A STRIPPED MASSIVE STAR

Energy Technology Data Exchange (ETDEWEB)

Nicholl, M.; Berger, E.; Blanchard, P. K.; Challis, P.; Cowperthwaite, P. S. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Margutti, R. [Center for Cosmology and Particle Physics, New York University, 4 Washington Place, New York, NY 10003 (United States); Chornock, R. [Astrophysical Institute, Department of Physics and Astronomy, 251B Clippinger Lab, Ohio University, Athens, OH 45701 (United States); Jerkstrand, A.; Smartt, S. J.; Inserra, C.; Kankare, E.; Maguire, K. [Astrophysics Research Centre, School of Mathematics and Physics, Queens University Belfast, Belfast BT7 1NN (United Kingdom); Arcavi, I.; Hosseinzadeh, G.; Howell, D. A. [Las Cumbres Observatory Global Telescope, 6740 Cortona Drive, Suite 102, Goleta, CA 93111 (United States); Chambers, K. C.; Magnier, E. A. [Institute for Astronomy, University of Hawaii at Manoa, Honolulu, HI 96822 (United States); Chen, T.-W. [Max-Planck-Institut für Extraterrestrische Physik, Giessenbachstraße 1, D-85748, Garching (Germany); Gal-Yam, A. [Benoziyo Center for Astrophysics, Weizmann Institute of Science, Rehovot 76100 (Israel); Mazzali, P. A., E-mail: matt.nicholl@cfa.harvard.edu [Astrophysics Research Institute, Liverpool John Moores University, IC2, Liverpool Science Park, 146 Brownlow Hill, Liverpool L3 5RF (United Kingdom); and others

2016-09-10

We present nebular-phase imaging and spectroscopy for the hydrogen-poor superluminous supernova (SLSN) SN 2015bn, at redshift z = 0.1136, spanning +250–400 days after maximum light. The light curve exhibits a steepening in the decline rate from 1.4 mag (100 days){sup −1} to 1.7 mag (100 days){sup −1}, suggestive of a significant decrease in the opacity. This change is accompanied by a transition from a blue continuum superposed with photospheric absorption lines to a nebular spectrum dominated by emission lines of oxygen, calcium, and magnesium. There are no obvious signatures of circumstellar interaction or large {sup 56}Ni mass. We show that the spectrum at +400 days is virtually identical to a number of energetic SNe Ic such as SN 1997dq, SN 2012au, and SN 1998bw, indicating similar core conditions and strengthening the link between “hypernovae”/long gamma-ray bursts and SLSNe. A single explosion mechanism may unify these events that span absolute magnitudes of −22 < M {sub B} < −17. Both the light curve and spectrum of SN 2015bn are consistent with an engine-driven explosion ejecting 7–30 M {sub ⊙} of oxygen-dominated ejecta (for reasonable choices in temperature and opacity). A strong and relatively narrow O i λ 7774 line, seen in a number of these energetic events but not in normal supernovae, may point to an inner shell that is the signature of a central engine.

Electrochemical immunosensor with nanocellulose-Au composite assisted multiple signal amplification for detection of avian leukosis virus subgroup J.

Science.gov (United States)

Liu, Chao; Dong, Jing; Waterhouse, Geoffrey I N; Cheng, Ziqiang; Ai, Shiyun

2018-03-15

A sensitive sandwich-type electrochemical immunosensor was developed for the detection of avian leukosis virus subgroup J (ALV-J), which benefitted from multiple signal amplification involving graphene-perylene-3,4,9,10-tetracarboxylic acid nanocomposites (GR-PTCA), nanocellulose-Au NP composites (NC-Au) and the alkaline phosphatase (ALP) catalytic reaction. GR-PTCA nanocomposites on glassy carbon electrodes served as the immunosensor platform. Due to their excellent electrical conductivity and abundant polycarboxylic sites, the GR-PTCA nanocomposites allowed fast electron transfer and good immobilization of primary antibodies, thereby affording a strong immunosensor signal in the presence of ALV-J. The detected signal could be further amplified by the introduction of NC-Au composites as a carrier of secondary antibodies (Ab 2 ) and by harnessing the catalytic properties of Au and ALP. Under optimized testing conditions, the electrochemical immunosensor displayed excellent analytical performance for the detection of ALV-J, showing a linear current response from 10 2.08 to 10 4.0 TCID 50 /mL (TCID 50 : 50% tissue culture infective dose) with a low detection limit of 10 1.98 TCID 50 /mL (S/N = 3). In addition to high sensitivity, the immunosensor showed very good selectivity, reproducibility and operational stability, demonstrating potential application for the quantitative detection of ALV-J in clinical diagnosis. Copyright © 2017 Elsevier B.V. All rights reserved.

Accelerated Metastable Solid-liquid Interdiffusion Bonding with High Thermal Stability and Power Handling

Science.gov (United States)

Huang, Ting-Chia; Smet, Vanessa; Kawamoto, Satomi; Pulugurtha, Markondeya R.; Tummala, Rao R.

2018-01-01

Emerging high-performance systems are driving the need for advanced packaging solutions such as 3-D integrated circuits (ICs) and 2.5-D system integration with increasing performance and reliability requirements for off-chip interconnections. Solid-liquid interdiffusion (SLID) bonding resulting in all-intermetallic joints has been proposed to extend the applicability of solders, but faces fundamental and manufacturing challenges hindering its wide adoption. This paper introduces a Cu-Sn SLID interconnection technology, aiming at stabilization of the microstructure in the Cu6Sn5 metastable phase rather than the usual stable Cu3Sn phase. This enables formation of a void-free interface yielding higher mechanical strength than standard SLID bonding, as well as significantly reducing the transition time. The metastable SLID technology retains the benefits of standard SLID with superior I/O pitch scalability, thermal stability and current handling capability, while advancing assembly manufacturability. In the proposed concept, the interfacial reaction is controlled by introducing Ni(P) diffusion barrier layers, designed to effectively isolate the metastable Cu6Sn5 phase preventing any further transformation. Theoretical diffusion and kinetic models were applied to design the Ni-Cu-Sn interconnection stack to achieve the targeted joint composition. A daisy chain test vehicle was used to demonstrate this technology as a first proof of concept. Full transition to Cu6Sn5 was successfully achieved within a minute at 260°C as confirmed by scanning electron microscope (SEM) and x-ray energy dispersive spectroscopy (XEDS) analysis. The joint composition was stable through 10× reflow, with outstanding bond strength averaging 90 MPa. The metastable SLID interconnections also showed excellent electromigration performance, surviving 500 h of current stressing at 105 A/cm2 at 150°C.

Preparation of the Wire of ZChSnSb11-6 Used for Remanufacturing Thermal Spraying

Science.gov (United States)

Zhang, B.; Yang, Z. Y.; Fu, D. X.; Li, X. F.; Chen, W.

Tin base Babbitt alloy widely used in bearing bush production and repair, the performance of ZChSnSb11-6 is better than ZChSnSb8-4.But as a result of as-cast structure of ZChSnSb11-6 is rich in big hard phase, its processing performance is bad, in this paper, through the optimization of smelting, casting, extrusion, drawing and other processes we have been successfully prepared ZChSnSb11-6 wire suitable for thermal spraying. Through metallographic examination, micro hardness, bond strength and porosity testing, it was proved that the wire meet the requirements of bearing manufacturing thermal spraying.

Solid Liquid Interdiffusion Bonding of Zn4Sb3 Thermoelectric Material with Cu Electrode

Science.gov (United States)

Lin, Y. C.; Lee, K. T.; Hwang, J. D.; Chu, H. S.; Hsu, C. C.; Chen, S. C.; Chuang, T. H.

2016-10-01

The ZnSb intermetallic compound may have thermoelectric applications because it is low in cost and environmentally friendly. In this study, a Zn4Sb3 thermoelectric element coated with a Ni barrier layer and a Ag reaction layer was bonded with a Ag-coated Cu electrode using a Ag/Sn/Ag solid-liquid interdiffusion bonding process. The results indicated that a Ni5Zn21 intermetallic phase formed easily at the Zn4Sb3/Ni interface, leading to sound adhesion. In addition, Sn film was found to react completely with the Ag layer to form a Ag3Sn intermetallic layer having a melting point of 480°C. The resulting Zn4Sb3 thermoelectric module can be applied at the optimized operation temperature (400°C) of Zn4Sb3 material as a thermoelectric element. The bonding strengths ranged from 14.9 MPa to 25.0 MPa, and shear tests revealed that the Zn4Sb3/Cu-joints fractured through the interior of the thermoelectric elements.

3-Axis Fully-Integrated Capacitive Tactile Sensor with Flip-Bonded CMOS on LTCC Interposer.

Science.gov (United States)

Asano, Sho; Muroyama, Masanori; Nakayama, Takahiro; Hata, Yoshiyuki; Nonomura, Yutaka; Tanaka, Shuji

2017-10-25

This paper reports a 3-axis fully integrated differential capacitive tactile sensor surface-mountable on a bus line. The sensor integrates a flip-bonded complementary metal-oxide semiconductor (CMOS) with capacitive sensing circuits on a low temperature cofired ceramic (LTCC) interposer with Au through vias by Au-Au thermo-compression bonding. The CMOS circuit and bonding pads on the sensor backside were electrically connected through Au bumps and the LTCC interposer, and the differential capacitive gap was formed by an Au sealing frame. A diaphragm for sensing 3-axis force was formed in the CMOS substrate. The dimensions of the completed sensor are 2.5 mm in width, 2.5 mm in length, and 0.66 mm in thickness. The fabricated sensor output coded 3-axis capacitive sensing data according to applied 3-axis force by three-dimensional (3D)-printed pins. The measured sensitivity was as high as over 34 Count/mN for normal force and 14 to 15 Count/mN for shear force with small noise, which corresponds to less than 1 mN. The hysteresis and the average cross-sensitivity were also found to be less than 2% full scale and 11%, respectively.

Effect Of Storage And Disinfection Methods Of Extracted Bovine Teeth On Bond Strength To Dentin

OpenAIRE

Humel M.M.C.; Oliveira M.T.; Cavalli V.; Giannini M.

2007-01-01

The aim of this study was to evaluate the effect of storage and disinfection methods (SDM) on bond strength (BS) to bovine dentin, using two adhesive systems. Adper Single Bond and Clearfil Protect Bond. Method: Extracted bovine teeth were assigned to the following SDM: 100% Humidity (HU); Gamma Radiation (GR); Autoclave (AU): 0.10g/mL Thymol (TH); 10% Formatin (FO); Frozen (FR); 0.2% Sodium Azide (SA) and 0.5% Chloramine T (CT) (n=10). The GR and AU groups were submitted to sterilization met...

On the mean kinetic energy of the proton in strong hydrogen bonded systems

International Nuclear Information System (INIS)

Finkelstein, Y.; Moreh, R.; Shang, S. L.; Wang, Y.; Liu, Z. K.; Shchur, Ya.

2016-01-01

The mean atomic kinetic energies of the proton, Ke(H), and of the deuteron, Ke(D), were calculated in moderate and strongly hydrogen bonded (HB) systems, such as the ferro-electric crystals of the KDP type (XH 2 PO 4 , X = K, Cs, Rb, Tl), the DKDP (XD 2 PO 4 , X = K, Cs, Rb) type, and the X 3 H(SO 4 ) 2 superprotonic conductors (X = K, Rb). All calculations utilized the simulated partial phonon density of states, deduced from density functional theory based first-principle calculations and from empirical lattice dynamics simulations in which the Coulomb, short range, covalent, and van der Waals interactions were accounted for. The presently calculated Ke(H) values for the two systems were found to be in excellent agreement with published values obtained by deep inelastic neutron scattering measurements carried out using the VESUVIO instrument of the Rutherford Laboratory, UK. The Ke(H) values of the M 3 H(SO 4 ) 2 compounds, in which the hydrogen bonds are centro-symmetric, are much lower than those of the KDP type crystals, in direct consistency with the oxygen-oxygen distance R OO , being a measure of the HB strength

Trends in Strong Chemical Bonding in C2, CN, CN-, CO, N2, NO, NO+, and O2

DEFF Research Database (Denmark)

Kepp, Kasper Planeta

2017-01-01

The strong chemical bonds between C, N, and O play a central role in chemistry, and their formation and cleavage are critical steps in very many catalytic processes. The close-lying molecular orbital energies and large correlation effects pose a challenge to electronic structure calculations and ...

Method of bonding metals to ceramics and other materials

Science.gov (United States)

Gruen, D.M.; Krauss, A.R.; DeWald, A.P.; Chienping Ju; Rigsbee, J.M.

1993-01-05

A composite and method of forming same wherein the composite has a non-metallic portion and an alloy portion wherein the alloy comprises an alkali metal and a metal which is an electrical conductor such as Cu, Ag, Al, Sn or Au and forms an alloy with the alkali metal. A cable of superconductors and composite is also disclosed.

Au, Ag and Au:Ag colloidal nanoparticles synthesized by pulsed laser ablation as SERS substrates

Directory of Open Access Journals (Sweden)

M. Vinod

2014-12-01

Full Text Available Chemically pure colloidal suspensions of gold and silver nanoparticles were synthesized using pulsed laser ablation. The dependence of laser fluence on the surface plasmon characteristics of the nanoparticles was investigated. Au:Ag colloidal suspensions were prepared by mixing highly monodisperse Au and Ag nanocolloids. The plasmon band of these mixtures was found to be highly sensitive to Au:Ag concentration ratio and wavelength of the laser beam used in the ablation process. The Au:Ag mixture consists of almost spherical shaped nanostructures with a tendency to join with adjacent ones. The surface enhanced Raman scattering activity of the Au, Ag and Au:Ag colloidal suspensions was tested using crystal violet as probe molecules. Enhancement in Raman signal obtained with Au:Ag substrates was found to be promising and strongly depends on its plasmon characteristics.

Tree-like SnO2 nanowires and optical properties

International Nuclear Information System (INIS)

Tao Tao; Chen Qiyuan; Hu Huiping; Chen Ying

2011-01-01

Research highlights: → Tree-like SnO 2 nanowires can be grown as low as 1100 deg. C by a vapour-solid process using a milled SnO 2 powder as the evaporation source. → FT-IR and PL measurements have shown that the tree-like nanostructures lead to superb physical properties. → The PL spectrum of such tree-like nanowires exhibits a strong PL peak at 548 nm. - Abstract: Tree-like SnO 2 nanowires have been grown by a vapor-solid process using a milled SnO 2 powder as the evaporation source. Phase, structural evolution and chemical composition were investigated using X-ray diffraction (XRD), X-ray spectrometry (EDS), and scanning electron microscopy (SEM). The process yields a large proportion of ultra-long rutile nanowires of 50-150 nm diameter and lengths up to several tens of micrometers. High-resolution transmission electron microscopy (HRTEM) shows that the SnO 2 nanowires are single crystals in the (1 0 1) growth direction with scattered smaller crystals or nanowires as the tree branches. The SnO 2 nanostructures were also examined using Fourier transform infra-red (FT-IR) and photoluminescence (PL) spectroscopy. A strong emission band centered at 548 nm dominated the PL spectrum of the tree-like nanowires.

Effect of Cooling Rate on the Longitudinal Modulus of Cu3Sn Phase of Ag-Sn-Cu Amalgam Alloy (Part II

Directory of Open Access Journals (Sweden)

R. H. Rusli

2015-10-01

Full Text Available Effects of cooling rate (at the time of solidification on the elastic constants of Cu3Sn phase of Ag-Sn-Cu dental amalgam alloy were studied. In this study, three types of alloys were made, with the composition Cu-38-37 wt% Sn by means of casting, where each alloy was subjected to different cooling rate, such as cooling on the air (AC, air blown (AB, and quenched in the water (WQ. X-ray diffraction, metallography, and Scanning Electron Microscopy with Energy Dispersive Spectroscopy studies of three alloys indicated the existence of Cu3Sn phase. Determination of the modulus of elasticity of Cu3Sn (ε phase was carried out by the measurement of longitudinal and transversal waves velocity using ultrasonic technique. The result shows that Cu3Sn (ε phase on AC gives higher modulus of elasticity values than those of Cu3Sn (ε on AB and WQ. The high modulus of elasticity value will produce a strong Ag-Sn-Cu dental amalagam alloy.

Au nanoparticles on tryptophan-functionalized graphene for sensitive detection of dopamine

International Nuclear Information System (INIS)

Lian, Qianwen; Luo, Ai; An, Zhenzhen; Li, Zhuang; Guo, Yongyang; Zhang, Dongxia; Xue, Zhonghua; Zhou, Xibin; Lu, Xiaoquan

2015-01-01

Graphical abstract: - Highlights: • A novel AuNPs/Trp-GR composite was fabricated by directly electrochemical deposition. • The composite exhibited excellent electrocatalytic activity towards DA. • The proposed method was applied to real samples. - Abstract: A novel and uniform gold nanoparticles/tryptophan-functionalized graphene nanocomposite (AuNPs/Trp-GR) has been successfully fabricated by directly electrochemical depositing gold onto the surface of tryptophan-functionalized graphene (Trp-GR). The nanostructure of AuNPs/Trp-GR was characterized by using scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS). It was demonstrated that Au nanoparticles were well dispersed on the surface of Trp-GR which might attribute to the more binding sites provided by Trp-GR for the formation of Au nanoparticles. The electrocatalytic activity of the AuNPs/Trp-GR towards the dopamine (DA) was systematically investigated using cyclic voltammetry (CV) and differential pulse voltammetry (DPV). Under optimum conditions, a wide and valuable linear range (0.5–411 μM), a low detection limit (0.056 μM, S/N = 3), good repeatability and stability were obtained for the determination of DA. Furthermore, the modified electrode was successfully applied to real samples analysis

Au nanoparticles on tryptophan-functionalized graphene for sensitive detection of dopamine

Energy Technology Data Exchange (ETDEWEB)

Lian, Qianwen; Luo, Ai; An, Zhenzhen; Li, Zhuang; Guo, Yongyang; Zhang, Dongxia [Key Laboratory of Bioelectrochemistry & Environmental Analysis of Gansu Province, College of Geography and Environment Science, Northwest Normal University, 730070, Lanzhou (China); Xue, Zhonghua [College of Chemistry and Chemical Engineering, Northwest Normal University, 730070, Lanzhou (China); Zhou, Xibin, E-mail: zhouxb@nwnu.edu.cn [Key Laboratory of Bioelectrochemistry & Environmental Analysis of Gansu Province, College of Geography and Environment Science, Northwest Normal University, 730070, Lanzhou (China); Lu, Xiaoquan, E-mail: Luxq@nwnu.edu.cn [College of Chemistry and Chemical Engineering, Northwest Normal University, 730070, Lanzhou (China)

2015-09-15

Graphical abstract: - Highlights: • A novel AuNPs/Trp-GR composite was fabricated by directly electrochemical deposition. • The composite exhibited excellent electrocatalytic activity towards DA. • The proposed method was applied to real samples. - Abstract: A novel and uniform gold nanoparticles/tryptophan-functionalized graphene nanocomposite (AuNPs/Trp-GR) has been successfully fabricated by directly electrochemical depositing gold onto the surface of tryptophan-functionalized graphene (Trp-GR). The nanostructure of AuNPs/Trp-GR was characterized by using scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS). It was demonstrated that Au nanoparticles were well dispersed on the surface of Trp-GR which might attribute to the more binding sites provided by Trp-GR for the formation of Au nanoparticles. The electrocatalytic activity of the AuNPs/Trp-GR towards the dopamine (DA) was systematically investigated using cyclic voltammetry (CV) and differential pulse voltammetry (DPV). Under optimum conditions, a wide and valuable linear range (0.5–411 μM), a low detection limit (0.056 μM, S/N = 3), good repeatability and stability were obtained for the determination of DA. Furthermore, the modified electrode was successfully applied to real samples analysis.

Reactive pulsed laser deposition of Cu2ZnSnS4 thin films in H2S

International Nuclear Information System (INIS)

Surgina, G.D.; Zenkevich, A.V.; Sipaylo, I.P.; Nevolin, V.N.; Drube, W.; Teterin, P.E.; Minnekaev, M.N.

2013-01-01

Cu 2 ZnSnS 4 (CZTS) thin films have been grown by reactive pulsed laser deposition in H 2 S atmosphere, combining the alternate ablation from the metallic (Cu) and alloyed (Zn x Sn) targets at room temperature. The morphological, structural and optical properties of as grown CZTS thin films with varying compositions as well as upon annealing in N 2 atmosphere are investigated by Rutherford backscattering spectrometry, X-ray diffraction, Raman spectroscopy and optical spectrophotometry. The chemical bonding in the “bulk” of the CZTS films is elucidated via hard X-ray photoemission spectroscopy measurements. The formation of the good quality stoichiometric polycrystalline CZTS films is demonstrated upon optimization of the growth parameters. - Highlights: ► The new method of Cu 2 ZnSnS 4 (CZTS) thin films growth in H 2 S was realized. ► CZTS films were grown by pulsed laser deposition from Cu and alloyed Zn–Sn targets. ► The effect of the processing parameters on the CZTS properties was investigated. ► The chemical bonding in the “bulk” of CZTS films was studied

Vibrational tug-of-war: The pKA dependence of the broad vibrational features of strongly hydrogen-bonded carboxylic acids

Science.gov (United States)

Van Hoozen, Brian L.; Petersen, Poul B.

2018-04-01

Medium and strong hydrogen bonds give rise to broad vibrational features frequently spanning several hundred wavenumbers and oftentimes exhibiting unusual substructures. These broad vibrational features can be modeled from first principles, in a reduced dimensional calculation, that adiabatically separates low-frequency modes, which modulate the hydrogen bond length, from high-frequency OH stretch and bend modes that contribute to the vibrational structure. Previously this method was used to investigate the origin of an unusual vibrational feature frequently found in the spectra of dimers between carboxylic acids and nitrogen-containing aromatic bases that spans over 900 cm-1 and contains two broad peaks. It was found that the width of this feature largely originates from low-frequency modes modulating the hydrogen bond length and that the structure results from Fermi resonance interactions. In this report, we examine how these features change with the relative acid and base strength of the components as reflected by their aqueous pKA values. Dimers with large pKA differences are found to have features that can extend to frequencies below 1000 cm-1. The relationships between mean OH/NH frequency, aqueous pKA, and O-N distance are examined in order to obtain a more rigorous understanding of the origin and shape of the vibrational features. The mean OH/NH frequencies are found to correlate well with O-N distances. The lowest OH stretch frequencies are found in dimer geometries with O-N distances between 2.5 and 2.6 Å. At larger O-N distances, the hydrogen bonding interaction is not as strong, resulting in higher OH stretch frequencies. When the O-N distance is smaller than 2.5 Å, the limited space between the O and N determines the OH stretch frequency, which gives rise to frequencies that decrease with O-N distances. These two effects place a lower limit on the OH stretch frequency which is calculated to be near 700 cm-1. Understanding how the vibrational features

Sensitive electrochemical sensors for simultaneous determination of ascorbic acid, dopamine, and uric acid based on Au@Pd-reduced graphene oxide nanocomposites

Science.gov (United States)

Jiang, Jingjing; Du, Xuezhong

2014-09-01

Sensitive electrochemical sensors were fabricated with reduced graphene oxide-supported Au@Pd (Au@Pd-RGO) nanocomposites by one-step synthesis for individual and simultaneous determination of ascorbic acid (AA), dopamine (DA), and uric acid (UA) with low detection limits and wide concentration ranges. From the Au@Pd-RGO-modified electrodes, well-separated oxidation peaks and enhanced peak currents of AA, DA, and UA were observed owing to the superior conductivity of RGO and the excellent catalytic activity of Au@Pd nanoparticles. For individual detection, the linear responses of AA, DA, and UA were in the concentration ranges of 0.1-1000, 0.01-100, and 0.02-500 μM with detection limits of 0.02, 0.002, and 0.005 μM (S/N = 3), respectively. For simultaneous detection by synchronous change of the concentrations of AA, DA, and UA, the linear response ranges were 1-800, 0.1-100, and 0.1-350 μM with detection limits of 0.28, 0.024, and 0.02 μM (S/N = 3), respectively. The fabricated sensors were further applied to the detection of AA, DA, and UA in urine samples. The Au@Pd-RGO nanocomposites have promising applications in highly sensitive and selective electrochemical sensing.Sensitive electrochemical sensors were fabricated with reduced graphene oxide-supported Au@Pd (Au@Pd-RGO) nanocomposites by one-step synthesis for individual and simultaneous determination of ascorbic acid (AA), dopamine (DA), and uric acid (UA) with low detection limits and wide concentration ranges. From the Au@Pd-RGO-modified electrodes, well-separated oxidation peaks and enhanced peak currents of AA, DA, and UA were observed owing to the superior conductivity of RGO and the excellent catalytic activity of Au@Pd nanoparticles. For individual detection, the linear responses of AA, DA, and UA were in the concentration ranges of 0.1-1000, 0.01-100, and 0.02-500 μM with detection limits of 0.02, 0.002, and 0.005 μM (S/N = 3), respectively. For simultaneous detection by synchronous change of the

Photoluminescence from Au nanoparticles embedded in Au:oxide composite films

Science.gov (United States)

Liao, Hongbo; Wen, Weijia; Wong, George K.

2006-12-01

Au:oxide composite multilayer films with Au nanoparticles sandwiched by oxide layers (such as SiO2, ZnO, and TiO2) were prepared in a magnetron sputtering system. Their photoluminescence (PL) spectra were investigated by employing a micro-Raman system in which an Argon laser with a wavelength of 514 nm was used as the pumping light. Distinct PL peaks located at a wavelength range between 590 and 680 nm were observed in most of our samples, with Au particle size varying from several to hundreds of nanometers. It was found that the surface plasmon resonance (SPR) in these composites exerted a strong influence on the position of the PL peaks but had little effect on the PL intensity.

Photoluminescence from Au nanoparticles embedded in Au:oxide composite films

International Nuclear Information System (INIS)

Liao Hongbo; Wen Weijia; Wong, George K. L.

2006-01-01

Au:oxide composite multilayer films with Au nanoparticles sandwiched by oxide layers (such as SiO 2 , ZnO, and TiO 2 ) were prepared in a magnetron sputtering system. Their photoluminescence (PL) spectra were investigated by employing a micro-Raman system in which an Argon laser with a wavelength of 514 nm was used as the pumping light. Distinct PL peaks located at a wavelength range between 590 and 680 nm were observed in most of our samples, with Au particle size varying from several to hundreds of nanometers. It was found that the surface plasmon resonance (SPR) in these composites exerted a strong influence on the position of the PL peaks but had little effect on the PL intensity

Cu Pillar Low Temperature Bonding and Interconnection Technology of for 3D RF Microsystem

Science.gov (United States)

Shi, G. X.; Qian, K. Q.; Huang, M.; Yu, Y. W.; Zhu, J.

2018-03-01

In this paper 3D interconnects technologies used Cu pillars are discussed with respect to RF microsystem. While 2.5D Si interposer and 3D packaging seem to rely to cu pillars for the coming years, RF microsystem used the heterogeneous chip such as GaAs integration with Si interposers should be at low temperature. The pillars were constituted by Cu (2 micron) -Ni (2 micron) -Cu (3 micron) -Sn (1 micron) multilayer metal and total height is 8 micron on the front-side of the wafer by using electroplating. The wafer backside Cu pillar is obtained by temporary bonding, thinning and silicon surface etching. The RF interposers are stacked by Cu-Sn eutectic bonding at 260 °C. Analyzed the reliability of different pillar bonding structure.

Cluster-derived Ir-Sn/SiO2 catalysts for the catalytic dehydrogenation of propane: A spectroscopic study

KAUST Repository

Gallo, Alessandro

2013-01-01

Ir-Sn bimetallic silica-based materials have been prepared via deposition of the molecular organometallic clusters (NEt4)2[Ir 4(CO)10(SnCl3)2] and NEt 4[Ir6(CO)15(SnCl3)] or via deposition of Sn organometallic precursor Sn(n-C4H9) 4 onto pre-formed Ir metal particles. These solids possess promising properties, in terms of selectivity, as catalysts for propane dehydrogenation to propene. Detailed CO-adsorption DRIFTS, XANES and EXAFS characterization studies have been performed on these systems in order to compare the structural and electronic evolution of systems in relation to the nature of the Ir-Sn bonds present in the precursor compounds and to propose a structural model of the Ir-Sn species present at the silica surface of the final catalyst. © 2013 The Royal Society of Chemistry.

Identified particle distributions in pp and Au+Au collisions at square root of (sNN)=200 GeV.

Science.gov (United States)

Adams, J; Adler, C; Aggarwal, M M; Ahammed, Z; Amonett, J; Anderson, B D; Anderson, M; Arkhipkin, D; Averichev, G S; Badyal, S K; Balewski, J; Barannikova, O; Barnby, L S; Baudot, J; Bekele, S; Belaga, V V; Bellwied, R; Berger, J; Bezverkhny, B I; Bhardwaj, S; Bhaskar, P; Bhati, A K; Bichsel, H; Billmeier, A; Bland, L C; Blyth, C O; Bonner, B E; Botje, M; Boucham, A; Brandin, A; Bravar, A; Cadman, R V; Cai, X Z; Caines, H; Calderón de la Barca Sánchez, M; Carroll, J; Castillo, J; Castro, M; Cebra, D; Chaloupka, P; Chattopadhyay, S; Chen, H F; Chen, Y; Chernenko, S P; Cherney, M; Chikanian, A; Choi, B; Christie, W; Coffin, J P; Cormier, T M; Cramer, J G; Crawford, H J; Das, D; Das, S; Derevschikov, A A; Didenko, L; Dietel, T; Dong, X; Draper, J E; Du, F; Dubey, A K; Dunin, V B; Dunlop, J C; Dutta Majumdar, M R; Eckardt, V; Efimov, L G; Emelianov, V; Engelage, J; Eppley, G; Erazmus, B; Estienne, M; Fachini, P; Faine, V; Faivre, J; Fatemi, R; Filimonov, K; Filip, P; Finch, E; Fisyak, Y; Flierl, D; Foley, K J; Fu, J; Gagliardi, C A; Ganti, M S; Gutierrez, T D; Gagunashvili, N; Gans, J; Gaudichet, L; Germain, M; Geurts, F; Ghazikhanian, V; Ghosh, P; Gonzalez, J E; Grachov, O; Grigoriev, V; Gronstal, S; Grosnick, D; Guedon, M; Guertin, S M; Gupta, A; Gushin, E; Hallman, T J; Hardtke, D; Harris, J W; Heinz, M; Henry, T W; Heppelmann, S; Herston, T; Hippolyte, B; Hirsch, A; Hjort, E; Hoffmann, G W; Horsley, M; Huang, H Z; Huang, S L; Humanic, T J; Igo, G; Ishihara, A; Jacobs, P; Jacobs, W W; Janik, M; Johnson, I; Jones, P G; Judd, E G; Kabana, S; Kaneta, M; Kaplan, M; Keane, D; Kiryluk, J; Kisiel, A; Klay, J; Klein, S R; Klyachko, A; Koetke, D D; Kollegger, T; Konstantinov, A S; Kopytine, M; Kotchenda, L; Kovalenko, A D; Kramer, M; Kravtsov, P; Krueger, K; Kuhn, C; Kulikov, A I; Kumar, A; Kunde, G J; Kunz, C L; Kutuev, R Kh; Kuznetsov, A A; Lamont, M A C; Landgraf, J M; Lange, S; Lansdell, C P; Lasiuk, B; Laue, F; Lauret, J; Lebedev, A; Lednický, R; Leontiev, V M; LeVine, M J; Li, C; Li, Q; Lindenbaum, S J; Lisa, M A; Liu, F; Liu, L; Liu, Z; Liu, Q J; Ljubicic, T; Llope, W J; Long, H; Longacre, R S; Lopez-Noriega, M; Love, W A; Ludlam, T; Lynn, D; Ma, J; Ma, Y G; Magestro, D; Mahajan, S; Mangotra, L K; Mahapatra, D P; Majka, R; Manweiler, R; Margetis, S; Markert, C; Martin, L; Marx, J; Matis, H S; Matulenko, Yu A; McShane, T S; Meissner, F; Melnick, Yu; Meschanin, A; Messer, M; Miller, M L; Milosevich, Z; Minaev, N G; Mironov, C; Mishra, D; Mitchell, J; Mohanty, B; Molnar, L; Moore, C F; Mora-Corral, M J; Morozov, V; de Moura, M M; Munhoz, M G; Nandi, B K; Nayak, S K; Nayak, T K; Nelson, J M; Nevski, P; Nikitin, V A; Nogach, L V; Norman, B; Nurushev, S B; Odyniec, G; Ogawa, A; Okorokov, V; Oldenburg, M; Olson, D; Paic, G; Pandey, S U; Pal, S K; Panebratsev, Y; Panitkin, S Y; Pavlinov, A I; Pawlak, T; Perevoztchikov, V; Peryt, W; Petrov, V A; Phatak, S C; Picha, R; Planinic, M; Pluta, J; Porile, N; Porter, J; Poskanzer, A M; Potekhin, M; Potrebenikova, E; Potukuchi, B V K S; Prindle, D; Pruneau, C; Putschke, J; Rai, G; Rakness, G; Raniwala, R; Raniwala, S; Ravel, O; Ray, R L; Razin, S V; Reichhold, D; Reid, J G; Renault, G; Retiere, F; Ridiger, A; Ritter, H G; Roberts, J B; Rogachevski, O V; Romero, J L; Rose, A; Roy, C; Ruan, L J; Sahoo, R; Sakrejda, I; Salur, S; Sandweiss, J; Savin, I; Schambach, J; Scharenberg, R P; Schmitz, N; Schroeder, L S; Schweda, K; Seger, J; Seliverstov, D; Seyboth, P; Shahaliev, E; Shao, M; Sharma, M; Shestermanov, K E; Shimanskii, S S; Singaraju, R N; Simon, F; Skoro, G; Smirnov, N; Snellings, R; Sood, G; Sorensen, P; Sowinski, J; Spinka, H M; Srivastava, B; Stanislaus, S; Stock, R; Stolpovsky, A; Strikhanov, M; Stringfellow, B; Struck, C; Suaide, A A P; Sugarbaker, E; Suire, C; Sumbera, M; Surrow, B; Symons, T J M; de Toledo, A Szanto; Szarwas, P; Tai, A; Takahashi, J; Tang, A H; Thein, D; Thomas, J H; Tikhomirov, V; Tokarev, M; Tonjes, M B; Trainor, T A; Trentalange, S; Tribble, R E; Trivedi, M D; Trofimov, V; Tsai, O; Ullrich, T; Underwood, D G; Van Buren, G; VanderMolen, A M; Vasiliev, A N; Vasiliev, M; Vigdor, S E; Viyogi, Y P; Voloshin, S A; Waggoner, W; Wang, F; Wang, G; Wang, X L; Wang, Z M; Ward, H; Watson, J W; Wells, R; Westfall, G D; Whitten, C; Wieman, H; Willson, R; Wissink, S W; Witt, R; Wood, J; Wu, J; Xu, N; Xu, Z; Xu, Z Z; Yakutin, A E; Yamamoto, E; Yang, J; Yepes, P; Yurevich, V I; Zanevski, Y V; Zborovský, I; Zhang, H; Zhang, H Y; Zhang, W M; Zhang, Z P; Zołnierczuk, P A; Zoulkarneev, R; Zoulkarneeva, J; Zubarev, A N

2004-03-19

Transverse mass and rapidity distributions for charged pions, charged kaons, protons, and antiprotons are reported for square root of [sNN]=200 GeV pp and Au+Au collisions at Relativistic Heary Ion Collider (RHIC). Chemical and kinetic equilibrium model fits to our data reveal strong radial flow and long duration from chemical to kinetic freeze-out in central Au+Au collisions. The chemical freeze-out temperature appears to be independent of initial conditions at RHIC energies.

Na{sub 8}Au{sub 9.8(4)}Ga{sub 7.2} and Na{sub 17}Au{sub 5.87(2)}Ga{sub 46.63}: The diversity of pseudo 5-fold symmetries in the Na–Au–Ga system

Energy Technology Data Exchange (ETDEWEB)

Smetana, Volodymyr; Corbett, John D., E-mail: jcorbett@iastate.edu; Miller, Gordon J.

2013-11-15

The Na-rich part (∼30% Na) of the Na–Au–Ga system between NaAu{sub 2}, NaGa{sub 4}, and Na{sub 22}Ga{sub 39} has been found to contain the ternary phases Na{sub 8}Au{sub 9.8(4)}Ga{sub 7.2} (I) and Na{sub 17}Au{sub 5.87(2)}Ga{sub 46.63} (II), according to the results of single crystal X-ray diffraction measurements. I is orthorhombic, Cmcm, a=5.3040(1), b=24.519(5), c=14.573(3) Å, and contains a network of clusters with local 5-fold symmetry along the a-axis. Such clusters are frequent building units in decagonal quasicrystals and their approximants. II is rhombohedral, R3{sup ¯}m, a=16.325(2), c=35.242(7) Å, and contains building blocks that are structurally identical to the Bergman-type clusters as well as fused icosahedral units known with active metals, triels and late transition elements. II also contains a polycationic network with elements of the clathrate V type structure. Tight-binding electronic structure calculations using linear muffin–tin-orbital (LMTO) methods on idealized models of I and II indicate that both compounds are metallic with evident pseudogaps at the corresponding Fermi levels. The overall Hamilton bond populations are generally dominated by Au–Ga and Au–Au bonds in I and by Ga–Ga bonds in II; moreover, the Na–Au and Na–Ga contributions in I are unexpectedly large, ∼20% of the total. A similar involvement of sodium in covalent bonding has also been found in the electron-richer i-Na{sub 13}Au{sub 12}Ga{sub 15} quasicrystal approximant. - Graphical abstract: Multiply-endohedral Bergman-related clusters in the structure of Na{sub 17}Au{sub 5.9(1)}Ga{sub 46.6.} Display Omitted - Highlights: • Two new compounds with the local 5-fold symmetry have been investigated. • Na{sub 8}Au{sub 9.8(4)}Ga{sub 7.2} is an orthorhombic approximant of the Na{sub 13}Au{sub 12}Ga{sub 15} quasicrystal. • Na{sub 17}Au{sub 5.87(2)}Ga{sub 46.63} represents a rhombohedral distortion of the Bergman-type phases.

Growth of intermetallics between Sn/Ni/Cu, Sn/Ag/Cu and Sn/Cu layered structures

International Nuclear Information System (INIS)

Horváth, Barbara; Illés, Balázs; Shinohara, Tadashi

2014-01-01

Intermetallic growth mechanisms and rates are investigated in Sn/Ni/Cu, Sn/Ag/Cu and Sn/Cu layer systems. An 8–10 μm thick Sn surface finish layer was electroplated onto a Cu substrate with a 1.5–2 μm thick Ni or Ag barrier layer. In order to induce intermetallic layer growth, the samples were aged in elevated temperatures: 50 °C and 125 °C. Intermetallic layer growth was checked by focused ion beam–scanning ion microscope. The microstructures and chemical compositions of the intermetallic layers were observed with a transmission electron microscope. It has been found that Ni barrier layers can effectively block the development of Cu 6 Sn 5 intermetallics. The intermetallic growth characteristics in the Sn/Cu and Sn/Ni/Cu systems are very similar. The intermetallic layer grows towards the Sn layer and forms a discrete layer. Differences were observed only in the growth gradients and surface roughness of the intermetallic layer which may explain the different tin whiskering properties. It was observed that the intermetallic layer growth mechanisms are completely different in the Ag barrier layers compared to the Ni layers. In the case of Sn/Ag/Cu systems, the Sn and Cu diffused through the Ag layer, formed Cu 6 Sn 5 intermetallics mainly at the Sn/Ag interface and consumed the Ag barrier layer. - Highlights: • Intermetallic growth was characterised in Sn/Ni/Cu, Sn/Ag/Cu and Sn/Cu layer systems. • Intermetallic growth rates and roughness are similar in the Sn/Cu and Sn/Ni/Cu systems. • Sn/Ni/Cu system contains the following intermetallic layer structure Sn–Ni3Sn4–Ni3Sn2–Ni3Sn–Ni. • In the case of Sn/Ag/Cu systems the Sn and Cu diffusion consumes the Ag barrier layer. • When Cu reaches the Sn/Ag interface a large amount of Cu 6 Sn 5 forms above the Ag layer

Kinetics of Isothermal Reactive Diffusion Between Solid Cu and Liquid Sn

Science.gov (United States)

O, M.; Suzuki, T.; Kajihara, M.

2018-01-01

The Cu/Sn system is one of the most fundamental and important metallic systems for solder joints in electric devices. To realize reliable solder joints, information on reactive diffusion at the solder joint is very important. In the present study, we experimentally investigated the kinetics of the reactive diffusion between solid Cu and liquid Sn using semi-infinite Cu/Sn diffusion couples prepared by an isothermal bonding technique. Isothermal annealing of the diffusion couple was conducted in the temperature range of 533-603 K for various times up to 172.8 ks (48 h). Using annealing, an intermetallic layer composed of Cu6Sn5 with scallop morphology and Cu3Sn with rather uniform thickness is formed at the original Cu/Sn interface in the diffusion couple. The growth of the Cu6Sn5 scallop occurs much more quickly than that of the Cu3Sn layer and thus predominates in the overall growth of the intermetallic layer. This tendency becomes more remarkable at lower annealing temperatures. The total thickness of the intermetallic layer is proportional to a power function of the annealing time, and the exponent of the power function is close to unity at all the annealing temperatures. This means that volume diffusion controls the intermetallic growth and the morphology of the Cu6Sn5/Sn interface influences the rate-controlling process. Adopting a mean value of 0.99 for the exponent, we obtain a value of 26 kJ/mol for the activation enthalpy of the intermetallic growth.

{sup 119}Sn NMR investigations on superconducting Ca{sub 3}Ir{sub 4}Sn{sub 13}

Energy Technology Data Exchange (ETDEWEB)

Sarkar, Rajib; Brueckner, Felix; Guenther, Marco; Klauss, Hans-Henning [IFP, TU Dresden (Germany); Petrovic, Cedomir; Wang, Kefeng [CMPMS, BNL, Upton, NY (United States); Luetkens, Hubertus; Biswas, Pabitra; Morenzoni, Elvezio; Amato, Alex [PSI, Villigen (Switzerland)

2014-07-01

Ca{sub 3}Ir{sub 4}Sn{sub 13} was found to exhibit superconducting transition with T{sub c} ∼ 7 K. It received considerable attention due to the possible coexistence of superconductivity and ferromagnetic spin fluctuation as well as the three-dimensional charge density wave (CDW) from the superlattice transition. While thermal, transport, and thermodynamic characterization of Ca{sub 3}Ir{sub 4}Sn{sub 13} single crystals suggest that it is a weakly correlated nodeless superconductor, recent μSR investigation reveals that the electron-phonon pairing interaction is in the strong-coupling limit. Here we present {sup 119}Sn NMR investigations on Ca{sub 3}Ir{sub 4}Sn{sub 13} polycrystalline samples and discuss the symmetry of the superconducting order parameter together with the normal state properties. Our preliminary results of spin-lattice relaxation rate (1/T{sub 1}) indicate that this is a BCS superconductor with weak-coupling limit.

Exploring the Photoreduction of Au(III) Complexes in the Gas-Phase

Science.gov (United States)

Marcum, Jesse C.; Kaufman, Sydney H.; Weber, J. Mathias

2010-06-01

We have used photodissociation spectroscopy to probe the electronic structure and photoreduction of Au(III) in gas-phase complexes containing Cl- and OH-. The gas-phase electronic spectrum of [AuCl_4]- closely resembles the aqueous solution spectrum, showing a lack of strong solvatochromic shifts. Substitution of Cl- ligands with OH- results in a strong blue shift, in agreement with ligand-field theory. Upon excitation, [AuCl_4]- can dissociate by loss of either one or two neutral Cl atoms, resulting in the reduction of gold from Au(III) to Au(II) and Au(I) respectively. The hydroxide substituted complex, [AuCl_2(OH)_2]-, demonstrates similar behavior but the only observable fragment channel is the loss of two neutral OH ligands, leading only to Au(I).

Lanthanide stannate pyrochlores (Ln2Sn2O7; Ln  =  Nd, Gd, Er) at high pressure

Science.gov (United States)

Turner, Katlyn M.; Tracy, Cameron L.; Mao, Wendy L.; Ewing, Rodney C.

2017-12-01

Lanthanide stannate pyrochlores (Ln2Sn2O7; Ln  =  Nd, Gd, and Er) were investigated in situ to 50 GPa in order to determine their structural response to compression and compare their response to that of lanthanide titanate, zirconate, and hafnate pyrochlores. The cation radius ratio of A3+/B4+ in pyrochlore oxides (A2B2O7) is thought to be the dominant feature that influences their response on compression. The ionic radius of Sn4+ is intermediate to that of Ti4+, Zr4+, and Hf4+, but the 〈Sn-O〉 bond in stannate pyrochlore is more covalent than the 〈B-O〉 bonds in titanates, zirconate, and hafnates. In stannates, based on in situ Raman spectroscopy, pyrochlore cation and anion sublattices begin to disorder with the onset of compression, first measured at 0.3 GPa. The extent of sublattice disorder versus pressure is greater in stannates with a smaller Ln3+ cation. Stannate pyrochlores (Fd-3m) begin a sluggish transformation to an orthorhombic, cotunnite-like structure at ~28 GPa similar transitions have been observed in titanate, zirconate, and hafnate pyrochlores at varying pressures (18-40 GPa) with cation radius ratio. The extent of the phase transition versus pressure varies directly with the size of the Ln3+ cation. Post-decompression from ~50 GPa, Er2Sn2O7 and Gd2Sn2O7 adopt a pyrochlore structure, rather than the multi-scale defect-fluorite  +  weberite-type structure adopted by Nd2Sn2O7 that is characteristic of titanate, zirconate, and hafnate pyrochlores under similar conditions. Like pyrochlore titanates, zirconates, and hafnates, the bulk modulus, B 0, of stannates varies linearly and inversely with cation radius ratio from 1 1 1 GPa (Nd2Sn2O7) to 251 GPa (Er2Sn2O7). The trends of bulk moduli in stannates in this study are in excellent agreement with previous experimental studies on stannates and suggest that the size of the Ln3+ cation is the primary determining factor of B 0. Additionally, when normalized to r A

A density functional theory study on structures, stabilities, and electronic and magnetic properties of Au{sub n}C (n = 1–9) clusters

Energy Technology Data Exchange (ETDEWEB)

Hou, Xiao-Fei; Yan, Li-Li; Huang, Teng; Hong, Yu; Miao, Shou-Kui [Laboratory of Atmospheric Physico-Chemistry, Anhui Institute of Optics & Fine Mechanics, Chinese Academy of Sciences, Hefei, Anhui 230031 (China); Peng, Xiu-Qiu [School of Environmental Science & Optoelectronic Technology, University of Science and Technology of China, Hefei, Anhui 230026 (China); Liu, Yi-Rong, E-mail: liuyirong@aiofm.ac.cn [Laboratory of Atmospheric Physico-Chemistry, Anhui Institute of Optics & Fine Mechanics, Chinese Academy of Sciences, Hefei, Anhui 230031 (China); Huang, Wei, E-mail: huangwei6@ustc.edu.cn [Laboratory of Atmospheric Physico-Chemistry, Anhui Institute of Optics & Fine Mechanics, Chinese Academy of Sciences, Hefei, Anhui 230031 (China); School of Environmental Science & Optoelectronic Technology, University of Science and Technology of China, Hefei, Anhui 230026 (China)

2016-06-15

The equilibrium geometric structures, relative stabilities, electronic stabilities, and electronic and magnetic properties of the Au{sub n}C and Au{sub n+1} (n = 1–9) clusters are systematically investigated using density functional theory (DFT) with hyper-generalized gradient approximation (GGA). The optimized geometries show that one Au atom added to the Au{sub n−1}C cluster is the dominant growth pattern for the Au{sub n}C clusters. In contrast to the pure gold clusters, the Au{sub n}C clusters are most stable in a quasi-planar or three-dimensional (3D) structure because the C dopant induces the local non-planarity, with exceptions of the Au{sub 6,8}C clusters who have 2D structures. The analysis of the relative and electronic stabilities reveals that the Au{sub 4}C and Au{sub 6} clusters are the most stable in the series of studied clusters, respectively. In addition, a natural bond orbital (NBO) analysis shows that the charges in the Au{sub n}C clusters transfer from the Au{sub n} host to the C atom. Moreover, the Au and C atoms interact with each other mostly via covalent bond rather than ionic bond, which can be confirmed through the average ionic character of the Au–C bond. Meanwhile, the charges mainly transfer between 2s and 2p orbitals within the C atom, and among 5d, 6s, and 6p orbitals within the Au atom for the Au{sub n}C clusters. As for the magnetic properties of the Au{sub n}C clusters, the total magnetic moments are 1 μ{sub B} for n = odd clusters, with the total magnetic moments mainly locating on the C atoms for Au{sub 1,3,9}C and on the Au{sub n} host for Au{sub 5,7}C clusters. However, the total magnetic moments of the Au{sub n}C clusters are zero for n = even clusters. Simultaneously, the magnetic moments mainly locate on the 2p orbital within the C atom and on the 5d, 6s orbitals within the Au atom.

BaSnF4 fast ion conductor: Variations versus the method of preparation and anomalous temperature variation of the quadrupole splitting

International Nuclear Information System (INIS)

Hantash, Jamil; Bartlett, Alan; Denes, Georges; Muntasar, Abdualhafeed; Oldfield, Philip

2005-01-01

A new method of preparation of high performance fluoride ion conductor, BaSnF 4 , by water leaching of newly discovered barium tin(II) chloride fluorides, has been designed, and the materials have been studied and compared to the solid prepared by the usual dry method. The unit-cell parameters and crystallite dimensions were found to vary with the method of preparation. In addition, the crystallite dimensions were found to be highly anisotropic for the samples obtained by the wet method. The Moessbauer spectrum is made of a large tin(II) quadrupole doublet, and a broad tin(IV) oxide peak due to surface oxidation. The tin(II) spectrum is in agreement with covalently bonded tin(II) having a strongly stereoactive lone pair. An unusually high dependence of the quadrupole splitting at low temperatures was observed (5.8 times larger than for α-SnF 2 ).

3-Axis Fully-Integrated Capacitive Tactile Sensor with Flip-Bonded CMOS on LTCC Interposer

Directory of Open Access Journals (Sweden)

Sho Asano

2017-10-01

Full Text Available This paper reports a 3-axis fully integrated differential capacitive tactile sensor surface-mountable on a bus line. The sensor integrates a flip-bonded complementary metal-oxide semiconductor (CMOS with capacitive sensing circuits on a low temperature cofired ceramic (LTCC interposer with Au through vias by Au-Au thermo-compression bonding. The CMOS circuit and bonding pads on the sensor backside were electrically connected through Au bumps and the LTCC interposer, and the differential capacitive gap was formed by an Au sealing frame. A diaphragm for sensing 3-axis force was formed in the CMOS substrate. The dimensions of the completed sensor are 2.5 mm in width, 2.5 mm in length, and 0.66 mm in thickness. The fabricated sensor output coded 3-axis capacitive sensing data according to applied 3-axis force by three-dimensional (3D-printed pins. The measured sensitivity was as high as over 34 Count/mN for normal force and 14 to 15 Count/mN for shear force with small noise, which corresponds to less than 1 mN. The hysteresis and the average cross-sensitivity were also found to be less than 2% full scale and 11%, respectively.

On the mean kinetic energy of the proton in strong hydrogen bonded systems

Energy Technology Data Exchange (ETDEWEB)

Finkelstein, Y. [Nuclear Research Center–Negev, Beer-Sheva 84190 (Israel); Moreh, R. [Physics Department, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel); Shang, S. L.; Wang, Y.; Liu, Z. K. [Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Shchur, Ya. [Institute for Condensed Matter Physics, 1 Svientsitskii str., L’viv 79011 (Ukraine)

2016-02-07

The mean atomic kinetic energies of the proton, Ke(H), and of the deuteron, Ke(D), were calculated in moderate and strongly hydrogen bonded (HB) systems, such as the ferro-electric crystals of the KDP type (XH{sub 2}PO{sub 4}, X = K, Cs, Rb, Tl), the DKDP (XD{sub 2}PO{sub 4}, X = K, Cs, Rb) type, and the X{sub 3}H(SO{sub 4}){sub 2} superprotonic conductors (X = K, Rb). All calculations utilized the simulated partial phonon density of states, deduced from density functional theory based first-principle calculations and from empirical lattice dynamics simulations in which the Coulomb, short range, covalent, and van der Waals interactions were accounted for. The presently calculated Ke(H) values for the two systems were found to be in excellent agreement with published values obtained by deep inelastic neutron scattering measurements carried out using the VESUVIO instrument of the Rutherford Laboratory, UK. The Ke(H) values of the M{sub 3}H(SO{sub 4}){sub 2} compounds, in which the hydrogen bonds are centro-symmetric, are much lower than those of the KDP type crystals, in direct consistency with the oxygen-oxygen distance R{sub OO}, being a measure of the HB strength.

Bis(triisopropylsilylethynyl)pentacene/Au(111) interface: Coupling, molecular orientation, and thermal stability

KAUST Repository

Gnoli, Andrea; Ü stü nel, Hande; Toffoli, Daniele; Yu, Liyang; Catone, D.; Turchini, Stefano; Lizzit, Silvano; Stingelin, Natalie; Larciprê te, Rosanna

2014-01-01

The assembly and the orientation of functionalized pentacene at the interface with inorganics strongly influence both the electric contact and the charge transport in organic electronic devices. In this study electronic spectroscopies and theoretical modeling are combined to investigate the properties of the bis(triisopropylsilylethynyl)pentacene (TIPS-Pc)/Au(111) interface as a function of the molecular coverage to compare the molecular state in the gas phase and in the adsorbed phase and to determine the thermal stability of TIPS-Pc in contact with gold. Our results show that in the free molecule only the acene atoms directly bonded to the ligands are affected by the functionalization. Adsorption on Au(111) leads to a weak coupling which causes only modest binding energy shifts in the TIPS-Pc and substrate core level spectra. In the first monolayer the acene plane form an angle of 33 ± 2° with the Au(111) surface at variance with the vertical geometry reported for thicker solution-processed or evaporated films, whereas the presence of configurational disorder was observed in the multilayer. The thermal annealing of the TIPS-Pc/Au(111) interface reveals the ligand desorption at ∼470 K, which leaves the backbone of the decomposed molecule flat-lying on the metal surface as in the case of the unmodified pentacene. The weak interaction with the metal substrate causes the molecular dissociation to occur 60 K below the thermal decomposition taking place in thick drop-cast films.

Bis(triisopropylsilylethynyl)pentacene/Au(111) interface: Coupling, molecular orientation, and thermal stability

KAUST Repository

Gnoli, Andrea

2014-10-02

The assembly and the orientation of functionalized pentacene at the interface with inorganics strongly influence both the electric contact and the charge transport in organic electronic devices. In this study electronic spectroscopies and theoretical modeling are combined to investigate the properties of the bis(triisopropylsilylethynyl)pentacene (TIPS-Pc)/Au(111) interface as a function of the molecular coverage to compare the molecular state in the gas phase and in the adsorbed phase and to determine the thermal stability of TIPS-Pc in contact with gold. Our results show that in the free molecule only the acene atoms directly bonded to the ligands are affected by the functionalization. Adsorption on Au(111) leads to a weak coupling which causes only modest binding energy shifts in the TIPS-Pc and substrate core level spectra. In the first monolayer the acene plane form an angle of 33 ± 2° with the Au(111) surface at variance with the vertical geometry reported for thicker solution-processed or evaporated films, whereas the presence of configurational disorder was observed in the multilayer. The thermal annealing of the TIPS-Pc/Au(111) interface reveals the ligand desorption at ∼470 K, which leaves the backbone of the decomposed molecule flat-lying on the metal surface as in the case of the unmodified pentacene. The weak interaction with the metal substrate causes the molecular dissociation to occur 60 K below the thermal decomposition taking place in thick drop-cast films.

A3-Coupling catalyzed by robust Au nanoparticles covalently bonded to HS-functionalized cellulose nanocrystalline films

Directory of Open Access Journals (Sweden)

Jian-Lin Huang

2013-07-01

Full Text Available We decorated HS-functionalized cellulose nanocrystallite (CNC films with monodisperse Au nanoparticles (AuNPs to form a novel nanocomposite catalyst AuNPs@HS-CNC. The uniform, fine AuNPs were made by the reduction of HAuCl4 solution with thiol (HS- group-functionalized CNC films. The AuNPs@HS-CNC nanocomposites were examined by X-ray photoelectron spectroscopy (XPS, TEM, ATR-IR and solid-state NMR. Characterizations suggested that the size of the AuNPs was about 2–3 nm and they were evenly distributed onto the surface of CNC films. Furthermore, the unique nanocomposite Au@HS-CNC catalyst displayed high catalytic efficiency in promoting three-component coupling of an aldehyde, an alkyne, and an amine (A3-coupling either in water or without solvent. Most importantly, the catalyst could be used repetitively more than 11 times without significant deactivation. Our strategy also promotes the use of naturally renewable cellulose to prepare reusable nanocomposite catalysts for organic synthesis.

A periodic mixed gaussians-plane waves DFT study on simple thiols on Au(111): adsorbate species, surface reconstruction, and thiols functionalization.

Science.gov (United States)

Rajaraman, Gopalan; Caneschi, Andrea; Gatteschi, Dante; Totti, Federico

2011-03-07

Here we present DFT calculations based on a periodic mixed gaussians/plane waves approach to study the energetics, structure, bonding of SAMs of simple thiols on Au(111). Several open issues such as structure, bonding and the nature of adsorbate are taken into account. We started with methyl thiols (MeSH) on Au(111) to establish the nature of the adsorbate. We have considered several structural models embracing the reconstructed surface scenario along with the MeS˙-Au(ad)-MeS˙ type motif put forward in recent years. Our calculations suggest a clear preference for the homolytic cleavage of the S-H bond leading to a stable MeS˙ on a gold surface. In agreement with the recent literature studies, the reconstructed models of the MeS˙ species are found to be energetically preferred over unreconstructed models. Besides, our calculations reveal that the model with 1:2 Au(ad)/thiols ratio, i.e. MeS˙-Au(ad)-MeS˙, is energetically preferred compared to the clean and 1:1 ratio models, in agreement with the experimental and theoretical evidences. We have also performed Molecular Orbital/Natural Bond Orbital, MO/NBO, analysis to understand the electronic structure and bonding in different structural motifs and many useful insights have been gained. Finally, the studies have then been extended to alkyl thiols of the RSR' (R, R' = Me, Et and Ph) type and here our calculations again reveal a preference for the RS˙ type species adsorption for clean as well as for reconstructed 1:2 Au(ad)/thiols ratio models.

[The bonding mechanisms of base metals for metal-ceramic crown microstructure analysis of bonding agent and gold bond between porcelain and base metals].

Science.gov (United States)

Wang, C C; Hsu, C S

1996-06-01

The use of base metal alloys for porcelain fused to a metal crown and bridges has increased recently because of lower price, high hardness, high tensile strength and high elastic modulus. The addition of beryllium to base metal alloys increased fluidity and improved casting fitness. Beryllium also controlled surface oxidation and bonding strength. The bonding agent and gold bonding agent also affected the bonding strength between porcelain and metal alloys. Four commercially available ceramic base alloys were studied (two alloys contained beryllium element, another two did not). The purpose of this investigation was to study the microstructure between porcelain matrix, bonding agent and alloy matrix interfaces. A scanning electron micro-probe analyzer and energy dispersive X-ray spectroscopy (EDXS) were used to study the distribution of elements (Ni, Cr, Mo, Cu, O, Si, Sn, Al) in four base alloys. The following results were obtained: 1. The thickness of the oxidized layer of Rexillium III alloy and Unitbond alloy (contained beryllium) was thinner than Unibond alloy and Wiron 88 alloy (no beryllium). 2. The thickness of the oxidized layer of alloys in air (10 minutes and 30 minutes) was thinner in Unitbond (2.45 microns and 3.80 microns) and thicker in Wiron 88 (4.39 microns and 5.96 microns). 3. The thickness of the oxidized layer occurring for a duration of ten minutes (in vaccum) showed that the Rexillium III alloy was the thinnest (1.93 microns), and Wiron 88 alloy was the thickest (2.30 microns). But in thirty minutes (vacuum), Unitbond alloy was the thinnest (3.37 microns), and Wiron 88 alloy was the thickest (5.51 microns). 4. The intensity of Cr elements was increased obviously near the interface between Unitbond alloy, Wiron 88 alloy (no beryllium) and oxidized layer, but the intensity of Ni and Mo elements was slightly increased. The intensity of Cr element was not increased markedly between Rexillium III alloy, Unitbond alloy (beryllium) and oxidized

Solvent extraction of Au(III) for preparation of a carrier-free multitracer and an Au tracer from an Au target

International Nuclear Information System (INIS)

Weginwar, R.G.; Kobayashi, Y.; Ambe, S.; Liu, B.; Enomoto, S.; Ambe, F.

1996-01-01

Separation of Au(III) and various carrier-free radionuclides by solvent extraction was investigated using an Au target irradiated by an energetic heavy-ion beam. Percentage extraction of Au(III) and coextraction of the radionuclides were determined with varying parameters such as kinds of solvent, molarity of HCl or pH, and Au concentration. Under the conditions where Au(III) was effectively extracted, namely extraction with ethyl acetate or isobutyl methyl ketone from 3 mol*dm -3 HCl, carrier-free radionuclides of many elements were found to be more or less coextracted. Coextraction of radionuclides of some elements was found to increase with an increase in the concentration of Au(III). This finding is ascribed to the formation of strong association of the complex of these elements with chloroauric acid. In order to avoid serious loss of these elements by the extraction, lowering of the Au(III) concentration or the use of a masking agent such as sodium citrate is necessary. Gold(III) was shown to be effectively back extracted with a 0.1 mol*dm -3 aqueous solution of 2-amino-2-hydroxymethyl-1,3-propanediol. Thus, a radiochemical procedure has been established for preparing a carrier-free multitracer and an Au tracer with carrier form from an Au target irradiated with a heavy-ion beam. Both tracers are now used individually for chemical and biological experiments. (author). 22 refs., 3 figs., 2 tabs

Effect of SbSn additions on the physical characterization of amorphous Se

Energy Technology Data Exchange (ETDEWEB)

Abdel-Rahim, Farid M., E-mail: farid.elkhateb@gmail.com [Physics Department, Faculty of Science, Al-Azhar, University, Assiut Branch, Assiut (Egypt); Physics Department, Faculty of Science and Arts, Khulais, King Abdulaziz University (KAU) (Saudi Arabia); Aly, K.A., E-mail: Kamalaly2001@gmail.com [Physics Department, Faculty of Science, Al-Azhar, University, Assiut Branch, Assiut (Egypt); Physics Department, Faculty of Science and Arts, Khulais, King Abdulaziz University (KAU) (Saudi Arabia); Dahshan, A. [Department of Physics, Faculty of Science, Port Said, University, Port Said (Egypt); Physics Department - Faculty of Girls - King Khalid University, Abha (Saudi Arabia)

2011-08-15

Highlights: {yields} The present work deals with the incorporation the optical properties of amorphous Se with SbSn. {yields} High accuracy determination of the film thickness and the complex index of refraction. {yields} The allowed non-direct electronic transitions are mainly responsible for the photon absorption in the investigated films. {yields} The changes in the refractive index were discussed in terms of the single-oscillator model (Wemple-DiDomenico relationship). {yields} The obtained results were discussed in terms of the chemical-bond approach. - Abstract: Different compositions of Se{sub 100-x}(SbSn){sub x} (0 {<=} x {<=} 14 at.%) glasses were prepared by the well-known melt quench technique. Thin films of these glasses were prepared by thermal evaporation onto ultrasonic cleaned glass substrate. Transmittance spectra of these films were measured in the wavelength range 400-2500 nm by using Jasco double beam spectrophotometer. A straight forward analysis proposed by Swanepoel, based on the maxima and minima of the transmittance spectra, allows to accurate determination of the film thickness and the complex index of refraction. Increasing SbSn content at the expense of Se atoms is found to affect the refractive index and the extinction coefficient of these films. The refractive indexes were discussed in terms of the single-oscillator Wemple-DiDomenico model. The compositional dependence of the optical band gap for the Se{sub 100-x}(SbSn){sub x} (0 {<=} x {<=} 14 at.%) thin films is discussed in terms of the chemical-bond approach.

Ultra-relativistic Au+Au and d+Au collisions:

Science.gov (United States)

Back, B. B.; Baker, M. D.; Ballintijn, M.; Barton, D. S.; Betts, R. R.; Bickley, A. A.; Bindel, R.; Budzanowski, A.; Busza, W.; Carroll, A.; Chai, Z.; Decowski, M. P.; García, E.; Gburek, T.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Hauer, M.; Heintzelman, G. A.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Hołyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Katzy, J.; Khan, N.; Kucewicz, W.; Kulinich, P.; Kuo, C. M.; Lin, W. T.; Manly, S.; McLeod, D.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Reed, C.; Remsberg, L. P.; Reuter, M.; Roland, C.; Roland, G.; Rosenberg, L.; Sagerer, J.; Sarin, P.; Sawicki, P.; Seals, H.; Sedykh, I.; Skulski, W.; Smith, C. E.; Stankiewicz, M. A.; Steinberg, P.; Stephans, G. S. F.; Sukhanov, A.; Tang, J.-L.; Tonjes, M. B.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Vaurynovich, S. S.; Verdier, R.; Veres, G. I.; Wenger, E.; Wolfs, F. L. H.; Wosiek, B.; Woźniak, K.; Wuosmaa, A. H.; Wysłouch, B.

In this talk I will review PHOBOS data on charged particle multiplicities, obtained in Au+Au and d+Au collisions at RHIC. The general features of the Au+Au pseudorapidity distributions results will be discussed and compared to those of /line{p}p collisions. The total charged particle multiplicity, scaled by the number of participant pairs, is observed to be about 40% higher in Au+Au collisions than in /line{p}p and d+Au systems, but, surprisingly at the same level of e+e- collisions. Limiting fragmentation scaling is seen to be obeyed in Au+Au collisions.

Comparison of the electrochemical performance of mesoscopic Cu2Sb, SnSb and Sn/SnSb alloy powders

International Nuclear Information System (INIS)

Zhang Ge; Huang Kelong; Liu Suqin; Zhang Wei; Gong Benli

2006-01-01

Cu 2 Sb, SnSb and Sn/SnSb mesoscopic alloy powders were prepared by chemical reduction, respectively. The crystal structures and particle morphology of Cu 2 Sb, SnSb and Sn/SnSb were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM). The electrochemical performances of the Cu 2 Sb, SnSb and Sn/SnSb electrodes were investigated by galvanostatic charge and discharge cycling and electrochemical impedance spectroscopy (EIS). The results showed the first charge and discharge capacities of SnSb and Sn/SnSb were higher than Cu 2 Sb, but after 15 cycles, the charge capacity fading rates of Cu 2 Sb, Sn/SnSb and Sn/SnSb were 26.16%, 55.33% and 47.39%, respectively. Cu 2 Sb had a better cycle performance, and Sn/SnSb multiphase alloy was prior to pure SnSb due to the existence of excessive Sn in Sn/SnSb system

Investigation of the bond strength between the photo-sensitive polymer SU-8 and gold

DEFF Research Database (Denmark)

Nordström, Maria; Johansson, Alicia; Sánchez Noguerón, E.

2005-01-01

adhesion promotors between the SU-8 and Au; (ii) the influence of the processing sequence, keeping either Au or SU-8 as the bottom layer; (iii) the importance of the UV exposure dosage of the SU-8. For comparison, also the bond strength between SU-8 and other materials was measured. For SU-8 and Au without...

Au/CeO2-chitosan composite film for hydrogen peroxide sensing

International Nuclear Information System (INIS)

Zhang Wei; Xie Guoming; Li Shenfeng; Lu Lingsong; Liu Bei

2012-01-01

Au nanoparticles (AuNPs) were in situ synthesized at the cerium dioxide nanoparticles (CeO 2 NPs)-chitosan (CS) composite film by one-step direct chemical reduction, and the resulting Au/CeO 2 -CS composite were further modified for enzyme immobilization and hydrogen peroxide (H 2 O 2 ) biosensing. Transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDX), UV-vis spectra and electrochemical techniques have been utilized for characterization of the prepared composite. The stepwise assembly process and electrochemical performances of the biosensor were characterized by means of cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS) and typical amperometric response (i-t). The Au/CeO 2 -CS composite exhibited good conductibility and biocompatibility, and the developed biosensor exhibited excellent response to hydrogen peroxide in the linear range of 0.05-2.5 mM (r = 0.998) with the detection limit of 7 μM (S/N = 3). Moreover, the biosensor presented high affinity (K m app =1.93mM), good reproducibility and storage stability. All these results demonstrate that the Au/CeO 2 -CS composite film can provide a promising biointerface for the biosensor designs and other biological applications.

Spectrophotometric determination of Sn+2 in lyophilized kit for labeling with 99mTc

International Nuclear Information System (INIS)

Araujo, Elaine Bortoleti; Sampel, Carolina Judith; Melo, Ivani Bortoleti; Okamoto, Miriam R.Y; Silva, Constancia P.G

2004-01-01

The preparation of 99 mTc labeled radiopharmaceuticals depends on the reduction of the technetium pertechnetate, commonly by stannous chloride (SnCl 2 ). The determination of the Sn +2 contents in the lyophilized preparations represents an important quality control procedure that may be applied to the process and to the final product. The objective os this work is the optimization of an spectrophotometric assay to the determination os Sn +2 contents in a citrate-stannous lyophilized kit for 99 mTc labeling. The spectrophotometric methodology employed is based in the colour development when Sn +2 reacts with sodium molybdate in the presence of potasium thiocyanate in chloridric medium. The colourfull reaction studied showed high stability after 60 minutes of the mixtures preparation. The sequence of reagents introduction in the reaction mixture was determinant to the assay. The molibdenium-stannous-tiocianate sequence produces calibration curves with good correlations (R2 ≥ 0.99). The concentrations of the molibdenium solution was also studied, in order to determine a ideal concentration for the Sn +2 range. The spectrophotometric method studied was usefull to the determination of Sn +2 content in different batches of citrate-stannous preparations. The method was fast and easy and can be applied to different stages of the production process, in order to guarantee the content of Sn +2 in the preparations (Au)

Carbon-supported ternary PtSnIr catalysts for direct ethanol fuel cell

Energy Technology Data Exchange (ETDEWEB)

Ribeiro, J.; Kokoh, K.B.; Coutanceau, C.; Leger, J.-M. [Equipe Electrocatalyse, UMR 6503 CNRS, Universite de Poitiers, 40 avenue du Recteur Pineau 86022 Poitiers Cedex (France); Dos Anjos, D.M. [Equipe Electrocatalyse, UMR 6503 CNRS, Universite de Poitiers, 40 avenue du Recteur Pineau 86022 Poitiers Cedex (France); Instituto de Quimica de Sao Carlos, Universidade de Sao Paulo, Caixa Postal 780, 13560-970 Sao Carlos, SP (Brazil); Olivi, P.; De Andrade, A.R. [Departamento de Quimica da Faculdade de Filosofia, Ciencias e Letras de Ribeirao Preto, Universidade de Sao Paulo, Av. Bandeirantes, 3900, 14040-901 Ribeirao Preto, SP (Brazil); Tremiliosi-Filho, G. [Instituto de Quimica de Sao Carlos, Universidade de Sao Paulo, Caixa Postal 780, 13560-970 Sao Carlos, SP (Brazil)

2007-08-01

Binary PtIr, PtSn and ternary PtSnIr electrocatalysts were prepared by the Pechini-Adams modified method on carbon Vulcan XC-72, and these materials were characterized by TEM and XRD. The XRD results showed that the electrocatalysts consisted of the Pt displaced phase, suggesting the formation of solid solutions between the metals Pt/Ir and Pt/Sn. However, the increase in Sn loading promoted phase separation, with the formation of peaks typical of cubic Pt{sub 3}Sn. The electrochemical investigation of these different electrode materials was carried out as a function of the electrocatalyst composition, in a 0.5 mol dm{sup -3} H{sub 2}SO{sub 4} solution, with either the presence or the absence of ethanol. Cyclic voltammetric measurements and chronoamperometric results obtained at room temperature showed that PtSn/C and PtSnIr/C displayed better electrocatalytic activity for ethanol electrooxidation compared to PtIr/C and Pt/C, mainly at low potentials. The oxidation process was also investigated by in situ infrared reflectance spectroscopy, to identify the adsorbed species. Linearly adsorbed CO and CO{sub 2} were found, indicating that the cleavage of the C-C bond in the ethanol substrate occurred during the oxidation process. At 90 C, the Pt{sub 89}Sn{sub 11}/C and Pt{sub 68}Sn{sub 9}Ir{sub 23}/C electrocatalysts displayed higher current and power performances as anode materials in a direct ethanol fuel cell (DEFC). (author)

[Sb{sub 4}Au{sub 4}Sb{sub 4}]{sup 2−}: A designer all-metal aromatic sandwich

Energy Technology Data Exchange (ETDEWEB)

Tian, Wen-Juan; You, Xue-Rui [Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006 (China); Guo, Jin-Chang [Department of Chemistry, Xinzhou Teachers University, Xinzhou 034000 (China); Li, Da-Zhi, E-mail: hj.zhai@sxu.edu.cn, E-mail: ldz005@126.com [Department of Chemical Engineering, Binzhou University, Binzhou 256603 (China); Wang, Ying-Jin [Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006 (China); Department of Chemistry, Xinzhou Teachers University, Xinzhou 034000 (China); Sun, Zhong-Ming [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Zhai, Hua-Jin, E-mail: hj.zhai@sxu.edu.cn, E-mail: ldz005@126.com [Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006 (China); State Key Laboratory of Quantum Optics and Quantum Optics Devices, Shanxi University, Taiyuan 030006 (China)

2016-07-28

We report on the computational design of an all-metal aromatic sandwich, [Sb{sub 4}Au{sub 4}Sb{sub 4}]{sup 2−}. The triple-layered, square-prismatic sandwich complex is the global minimum of the system from Coalescence Kick and Minima Hopping structural searches. Following a standard, qualitative chemical bonding analysis via canonical molecular orbitals, the sandwich complex can be formally described as [Sb{sub 4}]{sup +}[Au{sub 4}]{sup 4−}[Sb{sub 4}]{sup +}, showing ionic bonding characters with electron transfers in between the Sb{sub 4}/Au{sub 4}/Sb{sub 4} layers. For an in-depth understanding of the system, one needs to go beyond the above picture. Significant Sb → Au donation and Sb ← Au back-donation occur, redistributing electrons from the Sb{sub 4}/Au{sub 4}/Sb{sub 4} layers to the interlayer Sb–Au–Sb edges, which effectively lead to four Sb–Au–Sb three-center two-electron bonds. The complex is a system with 30 valence electrons, excluding the Sb 5s and Au 5d lone-pairs. The two [Sb{sub 4}]{sup +} ligands constitute an unusual three-fold (π and σ) aromatic system with all 22 electrons being delocalized. An energy gap of ∼1.6 eV is predicted for this all-metal sandwich. The complex is a rare example for rational design of cluster compounds and invites forth-coming synthetic efforts.

Effects of Alkali and Counter Ions in Sn-Beta Catalyzed Carbohydrate Conversion

DEFF Research Database (Denmark)

Elliot, Samuel G.; Tolborg, Søren; Madsen, Robert

2018-01-01

Alkali ions have been shown to strongly influence the catalytic behavior of stannosilicates in the conversion of carbohydrates. An effect of having alkali ions present is a pronounced increase in selectivity towards methyl lactate. Mechanistic details of this effect have remained obscure and are ......Alkali ions have been shown to strongly influence the catalytic behavior of stannosilicates in the conversion of carbohydrates. An effect of having alkali ions present is a pronounced increase in selectivity towards methyl lactate. Mechanistic details of this effect have remained obscure...... and are herein addressed experimentally through kinetic experiments and isotope tracking. Alkali ions have a differential effect in competing reaction pathways: they promote the rate of carbon-carbon bond breakage of carbohydrate substrates, but decrease the rates of competing dehydration pathways. Further...... addition of alkali inhibits activity of Sn-Beta in all major reaction pathways. The alkali effects on product distributions and on rates of product formation are similar, thus pointing to a kinetic reaction control and to irreversible reaction steps in the main pathways. Additionally, an effect...

Thermodynamic, electronic, and magnetic properties of intrinsic vacancy defects in antiperovskite Ca3SnO

Science.gov (United States)

Batool, Javaria; Alay-e-Abbas, Syed Muhammad; Amin, Nasir

2018-04-01

The density functional theory based total energy calculations are performed to examine the effect of charge neutral and fully charged intrinsic vacancy defects on the thermodynamic, electronic, and magnetic properties of Ca3SnO antiperovskite. The chemical stability of Ca3SnO is evaluated with respect to binary compounds CaO, CaSn, and Ca2Sn, and the limits of atomic chemical potentials of Ca, Sn, and O atoms for stable synthesis of Ca3SnO are determined within the generalized gradient approximation parametrization scheme. The electronic properties of the pristine and the non-stoichiometric forms of this compound have been explored and the influence of isolated intrinsic vacancy defects (Ca, Sn, and O) on the structural, bonding, and electronic properties of non-stoichiometric Ca3SnO are analyzed. We also predict the possibility of achieving stable ferromagnetism in non-stoichiometric Ca3SnO by means of charge neutral tin vacancies. From the calculated total energies and the valid ranges of atomic chemical potentials, the formation energetics of intrinsic vacancy defects in Ca3SnO are evaluated for various growth conditions. Our results indicate that the fully charged calcium vacancies are thermodynamically stable under the permissible Sn-rich condition of stable synthesis of Ca3SnO, while tin and oxygen vacancies are found to be stable under the extreme Ca-rich condition.

3-Axis Fully-Integrated Capacitive Tactile Sensor with Flip-Bonded CMOS on LTCC Interposer †

Science.gov (United States)

Asano, Sho; Nakayama, Takahiro; Hata, Yoshiyuki; Tanaka, Shuji

2017-01-01

This paper reports a 3-axis fully integrated differential capacitive tactile sensor surface-mountable on a bus line. The sensor integrates a flip-bonded complementary metal-oxide semiconductor (CMOS) with capacitive sensing circuits on a low temperature cofired ceramic (LTCC) interposer with Au through vias by Au-Au thermo-compression bonding. The CMOS circuit and bonding pads on the sensor backside were electrically connected through Au bumps and the LTCC interposer, and the differential capacitive gap was formed by an Au sealing frame. A diaphragm for sensing 3-axis force was formed in the CMOS substrate. The dimensions of the completed sensor are 2.5 mm in width, 2.5 mm in length, and 0.66 mm in thickness. The fabricated sensor output coded 3-axis capacitive sensing data according to applied 3-axis force by three-dimensional (3D)-printed pins. The measured sensitivity was as high as over 34 Count/mN for normal force and 14 to 15 Count/mN for shear force with small noise, which corresponds to less than 1 mN. The hysteresis and the average cross-sensitivity were also found to be less than 2% full scale and 11%, respectively. PMID:29068429

Nonuniform Internal Structure of Fibrin Fibers: Protein Density and Bond Density Strongly Decrease with Increasing Diameter

Directory of Open Access Journals (Sweden)

Wei Li

2017-01-01

Full Text Available The major structural component of a blood clot is a meshwork of fibrin fibers. It has long been thought that the internal structure of fibrin fibers is homogeneous; that is, the protein density and the bond density between protofibrils are uniform and do not depend on fiber diameter. We performed experiments to investigate the internal structure of fibrin fibers. We formed fibrin fibers with fluorescently labeled fibrinogen and determined the light intensity of a fiber, I, as a function of fiber diameter, D. The intensity and, thus, the total number of fibrin molecules in a cross-section scaled as D1.4. This means that the protein density (fibrin per cross-sectional area, ρp, is not homogeneous but instead strongly decreases with fiber diameter as D-0.6. Thinner fibers are denser than thicker fibers. We also determined Young’s modulus, Y, as a function of fiber diameter. Y decreased strongly with increasing D; Y scaled as D-1.5. This implies that the bond density, ρb, also scales as D-1.5. Thinner fibers are stiffer than thicker fibers. Our data suggest that fibrin fibers have a dense, well-connected core and a sparse, loosely connected periphery. In contrast, electrospun fibrinogen fibers, used as a control, have a homogeneous cross-section.

Ligand-accelerated activation of strong C-H bonds of alkanes by a (salen)ruthenium(VI)-nitrido complex.

Science.gov (United States)

Man, Wai-Lun; Lam, William W Y; Kwong, Hoi-Ki; Yiu, Shek-Man; Lau, Tai-Chu

2012-09-03

Kinetic and mechanistic studies on the intermolecular activation of strong C-H bonds of alkanes by a (salen)ruthenium(VI) nitride were performed. The initial, rate-limiting step, the hydrogen atom transfer (HAT) from the alkane to Ru(VI)≡N, generates Ru(V)=NH and RC·HCH(2)R. The following steps involve N-rebound and desaturation. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Energy Lossand Flow of Heavy Quarks in Au+Au Collisions at root-s=200GeV

Energy Technology Data Exchange (ETDEWEB)

Soltz, R; Klay, J; Enokizono, A; Newby, J; Heffner, M; Hartouni, E

2007-02-26

The PHENIX experiment at the Relativistic Heavy Ion Collider (RHIC) has measured electrons with 0.3 < p{sub rmT} < 9 GeV/c at midrapidity (|y| < 0.35) from heavy flavor (charm and bottom) decays in Au+Au collisions at {radical}s{sub NN} = 200 GeV. The nuclear modification factor R{sub AA} relative to p+p collisions shows a strong suppression in central Au+Au collisions, indicating substantial energy loss of heavy quarks in the medium produced at RHIC energies. A large azimuthal anisotropy, v{sub 2}, with respect to the reaction plane is observed for 0.5 < p{sub rmT} < 5 GeV/c indicating non-zero heavy flavor elliptic flow. A simultaneous description of R{sub AA}(p{sub rmT}) and v{sub 2}(p{sub rmT}) constrains the existing models of heavy-quark rescattering in strongly interacting matter and provides information on the transport properties of the produced medium. In particular, a viscosity to entropy density ratio close to the conjectured quantum lower bound, i.e. near a perfect fluid, is suggested.

Quaternary Cu2ZnSnS4 quantum dot-sensitized solar cells: Synthesis, passivation and ligand exchange

Science.gov (United States)

Bai, Bing; Kou, Dongxing; Zhou, Wenhui; Zhou, Zhengji; Tian, Qingwen; Meng, Yuena; Wu, Sixin

2016-06-01

The quaternary Cu2ZnSnS4 (CZTS) QDs had been successfully introduced into quantum dot-sensitized solar cells (QDSC) via hydrolysis approach in our previous work [Green Chem. 2015, vol. 17, p. 4377], but the obtained cell efficiency was still limited by low open-circuit voltage and fill factor. Herein, we use 1-dodecanethiol (DDT) as capping ligand for fairly small-sized CZTS QDs synthesis to improve their intrinsic properties. Since this strong bonded capping ligand can not be replaced by 3-mercaptopropionic acid (MPA) directly, the nature cation (Cu, Zn or Sn)-DDT units of QDs are first exchanged by the preconjugated Cd-oleate via successive ionic layer adsorption and reaction (SILAR) procedure accompanied with the formation of a core/shell structure. The weak bonded oleic acid (OA) can be finally replaced by MPA and the constructed water soluble CZTS/CdSe QDSC achieves an impressive conversion efficiency of 4.70%. The electron transport and recombination dynamic processes are confirmed by intensity-modulated photocurrent spectroscopy (IMPS)/intensity-modulated photovoltage spectroscopy (IMVS) measurements. It is found that the removal of long alkyl chain is conducive to improve the electron transport process and the type-II core/shell structure is beneficial to accelerate electron transport and retard charge recombination. This effective ligand removal strategy is proved to be more convenient for the applying of quaternary QDs in QDSC and would boost a more powerful efficiency in the future work.

Disappearance of back-to-back high-pT hadron correlations in central Au+Au collisions at sqrt[s NN ] =200 GeV.

Science.gov (United States)

Adler, C; Ahammed, Z; Allgower, C; Amonett, J; Anderson, B D; Anderson, M; Averichev, G S; Balewski, J; Barannikova, O; Barnby, L S; Baudot, J; Bekele, S; Belaga, V V; Bellwied, R; Berger, J; Bichsel, H; Billmeier, A; Bland, L C; Blyth, C O; Bonner, B E; Boucham, A; Brandin, A; Bravar, A; Cadman, R V; Caines, H; Calderón de la Barca Sánchez, M; Cardenas, A; Carroll, J; Castillo, J; Castro, M; Cebra, D; Chaloupka, P; Chattopadhyay, S; Chen, Y; Chernenko, S P; Cherney, M; Chikanian, A; Choi, B; Christie, W; Coffin, J P; Cormier, T M; Corral, M M; Cramer, J G; Crawford, H J; Derevschikov, A A; Didenko, L; Dietel, T; Draper, J E; Dunin, V B; Dunlop, J C; Eckardt, V; Efimov, L G; Emelianov, V; Engelage, J; Eppley, G; Erazmus, B; Fachini, P; Faine, V; Faivre, J; Fatemi, R; Filimonov, K; Finch, E; Fisyak, Y; Flierl, D; Foley, K J; Fu, J; Gagliardi, C A; Gagunashvili, N; Gans, J; Gaudichet, L; Germain, M; Geurts, F; Ghazikhanian, V; Grachov, O; Grigoriev, V; Guedon, M; Gushin, E; Hallman, T J; Hardtke, D; Harris, J W; Henry, T W; Heppelmann, S; Herston, T; Hippolyte, B; Hirsch, A; Hjort, E; Hoffmann, G W; Horsley, M; Huang, H Z; Humanic, T J; Igo, G; Ishihara, A; Ivanshin, Yu I; Jacobs, P; Jacobs, W W; Janik, M; Johnson, I; Jones, P G; Judd, E G; Kaneta, M; Kaplan, M; Keane, D; Kiryluk, J; Kisiel, A; Klay, J; Klein, S R; Klyachko, A; Kollegger, T; Konstantinov, A S; Kopytine, M; Kotchenda, L; Kovalenko, A D; Kramer, M; Kravtsov, P; Krueger, K; Kuhn, C; Kulikov, A I; Kunde, G J; Kunz, C L; Kutuev, R Kh; Kuznetsov, A A; Lakehal-Ayat, L; Lamont, M A C; Landgraf, J M; Lange, S; Lansdell, C P; Lasiuk, B; Laue, F; Lauret, J; Lebedev, A; Lednický, R; Leontiev, V M; LeVine, M J; Li, Q; Lindenbaum, S J; Lisa, M A; Liu, F; Liu, L; Liu, Z; Liu, Q J; Ljubicic, T; Llope, W J; LoCurto, G; Long, H; Longacre, R S; Lopez-Noriega, M; Love, W A; Ludlam, T; Lynn, D; Ma, J; Magestro, D; Majka, R; Margetis, S; Markert, C; Martin, L; Marx, J; Matis, H S; Matulenko, Yu A; McShane, T S; Meissner, F; Melnick, Yu; Meschanin, A; Messer, M; Miller, M L; Milosevich, Z; Minaev, N G; Mitchell, J; Moore, C F; Morozov, V; de Moura, M M; Munhoz, M G; Nelson, J M; Nevski, P; Nikitin, V A; Nogach, L V; Norman, B; Nurushev, S B; Odyniec, G; Ogawa, A; Okorokov, V; Oldenburg, M; Olson, D; Paic, G; Pandey, S U; Panebratsev, Y; Panitkin, S Y; Pavlinov, A I; Pawlak, T; Perevoztchikov, V; Peryt, W; Petrov, V A; Planinic, M; Pluta, J; Porile, N; Porter, J; Poskanzer, A M; Potrebenikova, E; Prindle, D; Pruneau, C; Putschke, J; Rai, G; Rakness, G; Ravel, O; Ray, R L; Razin, S V; Reichhold, D; Reid, J G; Renault, G; Retiere, F; Ridiger, A; Ritter, H G; Roberts, J B; Rogachevski, O V; Romero, J L; Rose, A; Roy, C; Rykov, V; Sakrejda, I; Salur, S; Sandweiss, J; Savin, I; Schambach, J; Scharenberg, R P; Schmitz, N; Schroeder, L S; Schüttauf, A; Schweda, K; Seger, J; Seliverstov, D; Seyboth, P; Shahaliev, E; Shestermanov, K E; Shimanskii, S S; Simon, F; Skoro, G; Smirnov, N; Snellings, R; Sorensen, P; Sowinski, J; Spinka, H M; Srivastava, B; Stephenson, E J; Stock, R; Stolpovsky, A; Strikhanov, M; Stringfellow, B; Struck, C; Suaide, A A P; Sugarbaker, E; Suire, C; Sumbera, M; Surrow, B; Symons, T J M; Szanto de Toledo, A; Szarwas, P; Tai, A; Takahashi, J; Tang, A H; Thein, D; Thomas, J H; Thompson, M; Tikhomirov, V; Tokarev, M; Tonjes, M B; Trainor, T A; Trentalange, S; Tribble, R E; Trofimov, V; Tsai, O; Ullrich, T; Underwood, D G; Van Buren, G; VanderMolen, A M; Vasilevski, I M; Vasiliev, A N; Vigdor, S E; Voloshin, S A; Wang, F; Ward, H; Watson, J W; Wells, R; Westfall, G D; Whitten, C; Wieman, H; Willson, R; Wissink, S W; Witt, R; Wood, J; Xu, N; Xu, Z; Yakutin, A E; Yamamoto, E; Yang, J; Yepes, P; Yurevich, V I; Zanevski, Y V; Zborovský, I; Zhang, H; Zhang, W M; Zoulkarneev, R; Zubarev, A N

2003-02-28

Azimuthal correlations for large transverse momentum charged hadrons have been measured over a wide pseudorapidity range and full azimuth in Au+Au and p+p collisions at sqrt[s(NN)]=200 GeV. The small-angle correlations observed in p+p collisions and at all centralities of Au+Au collisions are characteristic of hard-scattering processes previously observed in high-energy collisions. A strong back-to-back correlation exists for p+p and peripheral Au+Au. In contrast, the back-to-back correlations are reduced considerably in the most central Au+Au collisions, indicating substantial interaction as the hard-scattered partons or their fragmentation products traverse the medium.

Monomers, dimers, and trimers of [Au(CN2]− in a Ba(diaza-18-crown-62+ coordination polymer

Directory of Open Access Journals (Sweden)

2009-03-01

Full Text Available The structure of the title compound, poly[triaquatetra-μ-cyanido-tetracyanidobis(1,4,10,13-tetraoxa-7,16-diazacyclooctadecanedibarium(IItetragold(I], [Au4Ba2(CN8(C12H26N2O42(H2O3]n, displays O—H...N hydrogen bonding between water molecules and cyano ligands and an unusual pattern of aurophilic interactions that yields a monomer, dimer, and trimer of [Au(CN2]− within the same crystal structure. In two of the five Au positions, the atom resides on a center of inversion. The overall arrangement is that of a coordination polymer assisted by aurophilic and hydrogen-bonded interactions.

Transient liquid phase bonding of titanium-, iron- and nickel-based alloys

Science.gov (United States)

Rahman, A. H. M. Esfakur

The operating temperature of land-based gas turbines and jet engines are ever-increasing to increase the efficiency, decrease the emissions and minimize the cost. Within the engines, complex-shaped parts experience extreme temperature, fatigue and corrosion conditions. Ti-based, Ni-based and Fe-based alloys are commonly used in gas turbines and jet engines depending on the temperatures of different sections. Although those alloys have superior mechanical, high temperature and corrosion properties, severe operating conditions cause fast degradation and failure of the components. Repair of these components could reduce lifecycle costs. Unfortunately, conventional fusion welding is not very attractive, because Ti reacts very easily with oxygen and nitrogen at high temperatures, Ni-based superalloys show heat affected zone (HAZ) cracking, and stainless steels show intergranular corrosion and knife-line attack. On the other hand, transient liquid phase (TLP) bonding method has been considered as preferred joining method for those types of alloys. During the initial phase of the current work commercially pure Ti, Fe and Ni were diffusion bonded using commercially available interlayer materials. Commercially pure Ti (Ti-grade 2) has been diffusion bonded using silver and copper interlayers and without any interlayer. With a silver (Ag) interlayer, different intermetallics (AgTi, AgTi2) appeared in the joint centerline microstructure. While with a Cu interlayer eutectic mixtures and Ti-Cu solid solutions appeared in the joint centerline. The maximum tensile strengths achieved were 160 MPa, 502 MPa, and 382 MPa when Ag, Cu and no interlayers were used, respectively. Commercially pure Fe (cp-Fe) was diffusion bonded using Cu (25 m) and Au-12Ge eutectic interlayer (100 microm). Cu diffused predominantly along austenite grain boundaries in all bonding conditions. Residual interlayers appeared at lower bonding temperature and time, however, voids were observed in the joint

Nuclear fragmentation in central collisions: Ni + Au from 32 to 90 A*MeV; Fragmentation dans les collisions centrales du systeme Ni + Au de 32 a 90 A MeV

Energy Technology Data Exchange (ETDEWEB)

Bellaize, N

2000-11-03

Heavy ion collisions are one of tools for studying nuclear system far away from its equilibrium state. This work concerns the most violent collisions in the Ni + Au system for incident energies ranging from 32 up to 90 AMeV. These events were detected with the multidetector INDRA and selected by the Principal Component Analysis (multidimensional analysis). This method classifies the events according their detection features and their degree of dissipation. We observed two deexcitation mechanisms: a fusion/fission - evaporation process and a multifragmentation process. Those two coexist from 32 to 52 AMeV whereas only one subsists at 90 AMeV. For those two mechanisms, an component was observed which seems to be linked to the initial phase of the reaction. The energy fluctuations of this component leads to variations in the energy deposit which determines the deexcitation of the system. The experimental multifragmentation data of the Ni + Au system (52 and 90 AMeV) were compared to the predictions of a statistical model and to the experimental data of the system Xe + Sn at 50 AMeV (also detected with INDRA). These comparisons show the lack of collective radial energy for fragments (Z{>=}10) in the Ni + Au system, and show that the degree of multifragmentation depends of the thermal excitation energy. Mean kinetic energies of particles and lights fragments (Z{>=}10) are larger in the Ni + Au system than the Xe + Sn system. This observation shows that these particles are more sensitive to the entrance channel for an asymmetric system than for a symmetric system (for the same number of nucleons). (author)

Nano-fabrication of molecular electronic junctions by targeted modification of metal-molecule bonds

Science.gov (United States)

Jafri, S. Hassan M.; Löfås, Henrik; Blom, Tobias; Wallner, Andreas; Grigoriev, Anton; Ahuja, Rajeev; Ottosson, Henrik; Leifer, Klaus

2015-09-01

Reproducibility, stability and the coupling between electrical and molecular properties are central challenges in the field of molecular electronics. The field not only needs devices that fulfill these criteria but they also need to be up-scalable to application size. In this work, few-molecule based electronics devices with reproducible electrical characteristics are demonstrated. Our previously reported 5 nm gold nanoparticles (AuNP) coated with ω-triphenylmethyl (trityl) protected 1,8-octanedithiol molecules are trapped in between sub-20 nm gap spacing gold nanoelectrodes forming AuNP-molecule network. When the trityl groups are removed, reproducible devices and stable Au-thiol junctions are established on both ends of the alkane segment. The resistance of more than 50 devices is reduced by orders of magnitude as well as a reduction of the spread in the resistance histogram is observed. By density functional theory calculations the orders of magnitude decrease in resistance can be explained and supported by TEM observations thus indicating that the resistance changes and strongly improved resistance spread are related to the establishment of reproducible and stable metal-molecule bonds. The same experimental sequence is carried out using 1,6-hexanedithiol functionalized AuNPs. The average resistances as a function of molecular length, demonstrated herein, are comparable to the one found in single molecule devices.

Gold(I) Complexes with N-Donor Ligands. 2.(1) Reactions of Ammonium Salts with [Au(acac-kappaC(2))(PR(3))] To Give [Au(NH(3))L](+), [(AuL)(2)(&mgr;(2)-NH(2))](+), [(AuL)(4)(&mgr;(4)-N)](+), or [(AuL)(3)(&mgr;(3)-O)](+). A New and Facile Synthesis of [Au(NH(3))(2)](+) Salts. Crystal Structure of [{AuP(C(6)H(4)OMe-4)(3)}(3)(&mgr;(3)-O)]CF(3)SO(3).

Science.gov (United States)

Vicente, José; Chicote, María-Teresa; Guerrero, Rita; Jones, Peter G.; Ramírez De Arellano, M. Carmen

1997-09-24

The complexes [Au(acac-kappaC(2))(PR(3))] (acac = acetylacetonate, R = Ph, C(6)H(4)OMe-4) react with (NH(4))ClO(4) to give amminegold(I), [Au(NH(3))(PR(3))]ClO(4), amidogold(I), [(AuPR(3))(2)(&mgr;(2)-NH(2))]ClO(4), or nitridogold(I), [(AuPR(3))(4)(&mgr;(4)-N)]ClO(4), complexes, depending on the reaction conditions. Similarly, [Au(acac-kappaC(2))(PPh(3))] reacts with (NH(3)R')OTf (OTf = CF(3)SO(3)) (1:1) or with [H(3)N(CH(2))(2)NH(2)]OTf (1:1) to give (amine)gold(I) complexes [Au(NH(2)R')(PPh(3))]OTf (R' = Me, C(6)H(4)NO(2)-4) or [(AuPPh(3))(2){&mgr;(2)-H(2)N(CH(2))(2)NH(2)}](OTf)(2), respectively. The ammonium salts (NH(2)R'(2))OTf (R' = Et, Ph) react with [Au(acac-kappaC(2))(PR(3))] (R = Ph, C(6)H(4)OMe-4) (1:2) to give, after hydrolysis, the oxonium salts [(AuPR(3))(3)(&mgr;(3)-O)]OTf (R = Ph, C(6)H(4)OMe-4). When NH(3) is bubbled through a solution of [AuCl(tht)] (tht = tetrahydrothiophene), the complex [Au(NH(3))(2)]Cl precipitates. Addition of [Au(NH(3))(2)]Cl to a solution of AgClO(4) or TlOTf leads to the isolation of [Au(NH(3))(2)]ClO(4) or [Au(NH(3))(2)]OTf, respectively. The crystal structure of [(AuPR(3))(3)(&mgr;(3)-O)]OTf.Me(2)CO (R = C(6)H(4)OMe-4) has been determined: triclinic, space group P&onemacr;, a = 14.884(3) Å, b = 15.828(3) Å, c = 16.061(3) Å, alpha = 83.39(3) degrees, beta = 86.28(3) degrees, gamma = 65.54(3) degrees, R1 (wR2) = 0.0370 (0.0788). The [(AuPR(3))(3)(&mgr;(3)-O)](+) cation shows an essentially trigonal pyramidal array of three gold atoms and one oxygen atom with O-Au-P bond angles of ca. 175 degrees and Au.Au contacts in the range 2.9585(7)-3.0505(14) Å. These cations are linked into centrosymmetric dimers through two short Au.Au [2.9585(7), 3.0919(9) Å] contacts. The gold atoms of the dimer form a six-membered ring with a chair conformation.

Process for forming unusually strong joints between metals and ceramics by brazing at temperatures that do no exceed 750 degree C.

Science.gov (United States)

Hammond, Joseph P.; David, Stan A.; Woodhouse, John J.

1986-01-01

This invention is a process for joining metals to ceramics to form very strong bonds using low brazing temperature, i.e., less than 750.degree. C., and particularly for joining nodular cast iron to partially stabilized zirconia. The process provides that the ceramic be coated with an active metal, such as titanium, that can form an intermetallic with a low melting point brazing alloy such as 60Ag-30Cu-10Sn. The nodular cast iron is coated with a noncarbon containing metal, such as copper, to prevent carbon in the nodular cast iron from dissolving in the brazing alloy. These coated surfaces can be brazed together with the brazing alloy between at less than 750.degree. C. to form a very strong joint. An even stronger bond can be formed if a transition piece is used between the metal and ceramic. It is preferred for the transition piece to have a coefficient of thermal compatible with the coefficient of thermal expansion of the ceramic, such as titanium.

Transverse-momentum dependent modification of dynamic texture in central Au+Au collisions at √sNN = 200 GeV

International Nuclear Information System (INIS)

Adams, J.; Aggarwal, M.M.; Ahammed, Z.; Amonett, J.; Anderson, B.D.; Arkhipkin, D.; Averichev, G.S.; Badyal, S.K.; Bai, Y.; Balewski, J.; Barannikova, O.; Barnby, L.S.; Baudot, J.; Bekele, S.; Belaga, V.V.; Bellwied, R.; Berger, J.; Bezverkhny, B.I.; Bharadwaj, S.; Bhasin, A.; Bhati, A.K.; Bhatia, V.S.; Bichsel, H.; Billmeier, A.; Bland, L.C.; Blyth, C.O.; Bonner, B.E.; Botje, M.; Boucham, A.; Brandin, A.V.; Bravar, A.; Bystersky, M.; Cadman, R.V.; Cai, X.Z.; Caines, H.; Calderon de la Barca Sanchez, M.; Castillo, J.; Cebra, D.; Chajecki, Z.; Chaloupka, P.; Chattopadhyay, S.; Chen, H.F.; Chen, Y.; Cheng, J.; Cherney, M.; Chikanian, A.; Christie, W.; Coffin, J.P.; Cormier, T.M.; Cramer, J.G.; Crawford, H.J.; Das, D.; Das, S.; Moura, M.M. de; Derevschikov, A.A.; Didenko, L.; Dietel, T.; Dogra, S.M.; Dong, W.J.; Dong, X.; Draper, J.E.; Du, F.; Dubey, A.K.; Dunin, V.B.; Dunlop, J.C.; Dutta Mazumdar, M.R.; Eckardt, V.; Edwards, W.R.; Efimov, L.G.; Emelianov, V.; Engelage, J.; Eppley, G.; Erazmus, B.; Estienne, M.; Fachini, P.; Faivre, J.; Fatemi, R.; Fedorisin, J.; Filimonov, K.; Filip, P.; Finch, E.; Fine, V.; Fisyak, Y.; Fomenko, K.; Fu, J.; Gagliardi, C.A.; Gans, J.; Ganti, M.S.; Gaudichet, L.; Geurts, F.; Ghazikhanian, V.; Ghosh, P.; Gonzalez, J.E.; Grachov, O.; Grebenyuk, O.; Grosnick, D.; Guertin, S.M.; Guo, Y.; Gupta, A.; Gutierrez, T.D.; Hallman, T.J.; Hamed, A.; Hardtke, D.; Harris, J.W.; Heinz, M.; Henry, T.W.; Hepplemann, S.; Hippolyte, B.; Hirsch, A.; Hjort, E.; Hoffmann, G.W.; Huang, H.Z.; Huang, S.L.; Hughes, E.W.; Humanic, T.J.; Igo, G.; Ishihara, A.; Jacobs, P.; Jacobs, W.W.; Janik, M.; Jiang, H.; Jones, P.G.; Judd, E.G.; Kabana, S.; Kang, K.; Kaplan, M.; Keane, D.; Khodyrev, V.Yu.; Kiryluk, J.; Kisiel, A.; Kislov, E.M.; Klay, J.; Klein, S.R.; Klyachko, A.; Koetke, D.D.; Kollegger, T.; Kopytine, S.M.; Kotchenda, L.; Kramer, M.; Kravtsov, P.; Kravtsov, V.I.; Krueger, K.; Kuhn, C.; Kulikov, A.I.; Kumar, A.; Kutuev, R.Kh.

2005-01-01

Correlations in the hadron distributions produced in relativistic Au+Au collisions are studied in the discrete wavelet expansion method. The analysis is performed in the space of pseudorapidity (|η| (le) 1) and azimuth (full 2π) in bins of transverse momentum (p t ) from 0.14 (le) p t (le) 2.1 GeV/c. In peripheral Au+Au collisions a correlation structure ascribed to minijet fragmentation is observed. It evolves with collision centrality and p t in a way not seen before which suggests strong dissipation of minijet fragmentation in the longitudinally-expanding medium

Phosphorus Enhanced Intermolecular Interactions of SnO2 and Graphene as an Ultrastable Lithium Battery Anode.

Science.gov (United States)

Zhang, Lei; Zhao, Kangning; Yu, Ruohan; Yan, Mengyu; Xu, Wangwang; Dong, Yifan; Ren, Wenhao; Xu, Xu; Tang, Chunjuan; Mai, Liqiang

2017-05-01

SnO 2 suffers from fast capacity fading in lithium-ion batteries due to large volume expansion as well as unstable solid electrolyte interphase. Herein, the design and synthesis of phosphorus bridging SnO 2 and graphene through covalent bonding are demonstrated to achieve a robust structure. In this unique structure, the phosphorus is able to covalently "bridge" graphene and tin oxide nanocrystal through PC and SnOP bonding, respectively, and act as a buffer layer to keep the structure stable during charging-discharging. As a result, when applied as a lithium battery anode, SnO 2 @P@GO shows very stable performance and retains 95% of 2nd capacity onward after 700 cycles. Such unique structural design opens up new avenues for the rational design of other high-capacity materials for lithium battery, and as a proof-of-concept, creates new opportunities in the synthesis of advanced functional materials for high-performance energy storage devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Late-time spectral line formation in Type IIb supernovae, with application to SN 1993J, SN 2008ax, and SN 2011dh

Science.gov (United States)

Jerkstrand, A.; Ergon, M.; Smartt, S. J.; Fransson, C.; Sollerman, J.; Taubenberger, S.; Bersten, M.; Spyromilio, J.

2015-01-01

We investigate line formation processes in Type IIb supernovae (SNe) from 100 to 500 days post-explosion using spectral synthesis calculations. The modelling identifies the nuclear burning layers and physical mechanisms that produce the major emission lines, and the diagnostic potential of these. We compare the model calculations with data on the three best observed Type IIb SNe to-date - SN 1993J, SN 2008ax, and SN 2011dh. Oxygen nucleosynthesis depends sensitively on the main-sequence mass of the star and modelling of the [O I] λλ6300, 6364 lines constrains the progenitors of these three SNe to the MZAMS = 12-16 M⊙ range (ejected oxygen masses 0.3-0.9 M⊙), with SN 2011dh towards the lower end and SN 1993J towards the upper end of the range. The high ejecta masses from MZAMS ≳ 17 M⊙ progenitors give rise to brighter nebular phase emission lines than observed. Nucleosynthesis analysis thus supports a scenario of low-to-moderate mass progenitors for Type IIb SNe, and by implication an origin in binary systems. We demonstrate how oxygen and magnesium recombination lines may be combined to diagnose the magnesium mass in the SN ejecta. For SN 2011dh, a magnesium mass of 0.02-0.14 M⊙ is derived, which gives a Mg/O production ratio consistent with the solar value. Nitrogen left in the He envelope from CNO burning gives strong [N II] λλ6548, 6583 emission lines that dominate over Hα emission in our models. The hydrogen envelopes of Type IIb SNe are too small and dilute to produce any noticeable Hα emission or absorption after ~150 days, and nebular phase emission seen around 6550 Å is in many cases likely caused by [N II] λλ6548, 6583. Finally, the influence of radiative transport on the emergent line profiles is investigated. Significant line blocking in the metal core remains for several hundred days, which affects the emergent spectrum. These radiative transfer effects lead to early-time blueshifts of the emission line peaks, which gradually

Composition and source of salinity of ore-bearing fluids in Cu-Au systems of the Carajás Mineral Province, Brazil

Science.gov (United States)

Xavier, Roberto; Rusk, Brian; Emsbo, Poul; Monteiro, Lena

2009-01-01

The composition and Cl/Br – NaCl ratios of highly saline aqueous inclusions from large tonnage (> 100 t) IOCG deposits (Sossego, Alvo 118, and Igarapé Bahia) and a Paleoproterozoic intrusion-related Cu-Au-(Mo-W-Bi-Sn) deposit (Breves; Ca-dominated (5 to 10 times more than in porphyry Cu-Au fluids), and contain percent level concentrations of Na and K. IOCG inclusion fluids, however, contain higher Sr, Ba, Pb, and Zn concentrations, but significantly less Bi, than the intrusion-related Breves inclusion fluids. Cu is consistently below detection limits in brine inclusions from the IOCG and intrusion-related systems and Fe was not detected in the latter. Cl/Br and Na/Cl ratios of the IOCG inclusion fluids range from entirely evaporative brines (bittern fluids; e.g. Igarapé Bahia and Alvo 118) to values that indicate mixing with magma-derived brines. Cl/Br and Na/Cl ratios of the Breves inclusion fluids strongly suggest the involvement of magmatic brines, but that possibly also incorporated bittern fluids. Collectively, these data demonstrate that residual evaporative and magmatic brines were important components of the fluid regime involved in the formation of Cu-Au systems in the Carajás Mineral Province.

[CH(3)(CH(2))(11)NH(3)]SnI(3): a hybrid semiconductor with MoO(3)-type tin(II) iodide layers.

Science.gov (United States)

Xu, Zhengtao; Mitzi, David B

2003-10-20

The organic-inorganic hybrid [CH(3)(CH(2))(11)NH(3)]SnI(3) presents a lamellar structure with a Sn-I framework isotypic to that of MoO(3). The SnI(3)(-) layer consists of edge and corner-sharing SnI(6) octahedra in which one of the six Sn-I bonds is distinctly elongated (e.g., 3.62 A), indicating lone-pair stereoactivity for the Sn(II) atom. The overall electronic character remains comparable with that of the well-studied SnI(4)(2)(-)-based perovskite semiconductors, such as [CH(3)(CH(2))(11)NH(3)](2)SnI(4), with a red-shifted and broadened exciton peak associated with the band gap, apparently due to the increased dimensionality of the Sn-I framework. The title compound offers, aside from the hybrid perovskites, a new type of solution-processable Sn-I network for potential applications in semiconductive devices.

Ab-initio study on electronic properties of rocksalt SnAs

Science.gov (United States)

Babariya, Bindiya; Vaghela, M. V.; Gajjar, P. N.

2018-05-01

Within the frame work of Local Density Approximation of Exchange and Correlation, ab-initio method of density functional theory with Abinit code is used to compute electronic energy band structure, density of States and charge density of SnAs in rocksalt phase. Our result after optimization for lattice constant agrees with experimental value within 0.59% deviation. The computed electronic energy bands in high symmetry directions Γ→K→X→Γ→L→X→W→L→U shown metallic nature. The lowest band in the electronic band structure is showing band-gap approximately 1.70 eV from next higher band and no crossing between lowest two bands are seen. The density of states revels p-p orbit hybridization between Sn and As atoms. The spherical contour around Sn and As in the charge density plot represent partly ionic and partly covalent bonding. Fermi surface topology is the resultant effect of the single band crossing along L direction at Ef.

CO adsorption on small Au{sub n} (n = 1–4) structures supported on hematite. I. Adsorption on iron terminated α-Fe{sub 2}O{sub 3} (0001) surface

Energy Technology Data Exchange (ETDEWEB)

Pabisiak, Tomasz; Kiejna, Adam, E-mail: kiejna@ifd.uni.wroc.pl [Institute of Experimental Physics, University of Wrocław, Plac M. Borna 9, 50-204 Wrocław (Poland); Winiarski, Maciej J. [Institute of Experimental Physics, University of Wrocław, Plac M. Borna 9, 50-204 Wrocław (Poland); Institute of Low Temperature and Structure Research, Polish Academy of Sciences, ul. Okólna 2, 50-422 Wrocław (Poland)

2016-01-28

This is the first of two papers dealing with the adsorption of Au and formation of Au{sub n} nanostructures (n = 1–4) on hematite (0001) surface and adsorption of CO thereon. The stoichiometric Fe-terminated (0001) surface of hematite was investigated using density functional theory in the generalized gradient approximation of Perdew-Burke-Ernzerhof (PBE) form with Hubbard correction U, accounting for strong electron correlations (PBE+U). The structural, energetic, and electronic properties of the systems studied were examined for vertical and flattened configurations of Au{sub n} nanostructures adsorbed on the hematite surfaces. The flattened ones, which can be viewed as bilayer-like structures, were found energetically more favored than vertical ones. For both classes of structures the adsorption binding energy increases with the number of Au atoms in a structure. The adsorption of Au{sub n} induces charge rearrangement at the Au{sub n}/oxide contact which is reflected in work function changes. In most considered cases Au{sub n} adsorption increases the work function. A detailed analysis of the bonding electron charge is presented and the corresponding electron charge rearrangements at the contacts were quantified by a Bader charge analyses. The interaction of a CO molecule with the Au{sub n} nanostructures supported on α-Fe{sub 2}O{sub 3} (0001) and the oxide support was studied. It is found that the CO adsorption binding to the hematite supported Au{sub n} structures is more than twice as strong as to the bare hematite surface. Analysis of the Bader charges on the atoms showed that in each case CO binds to the most positively charged (cationic) atom of the Au{sub n} structure. Changes in the electronic structure of the Au{sub n} species and of the oxide support, and their consequences for the interactions with CO, are discussed.

The pure rotational spectra of the open-shell diatomic molecules PbI and SnI.

Science.gov (United States)

Evans, Corey J; Needham, Lisa-Maria E; Walker, Nicholas R; Köckert, Hansjochen; Zaleski, Daniel P; Stephens, Susanna L

2015-12-28

Pure rotational spectra of the ground electronic states of lead monoiodide and tin monoiodide have been measured using a chirped pulsed Fourier transform microwave spectrometer over the 7-18.5 GHz region for the first time. Each of PbI and SnI has a X (2)Π1/2 ground electronic state and may have a hyperfine structure that aids the determination of the electron electric dipole moment. For each species, pure rotational transitions of a number of different isotopologues and their excited vibrational states have been assigned and fitted. A multi-isotopologue Dunham-type analysis was carried out on both species producing values for Y01, Y02, Y11, and Y21, along with Λ-doubling constants, magnetic hyperfine constants and nuclear quadrupole coupling constants. The Born-Oppenheimer breakdown parameters for Pb have been evaluated and the parameter rationalized in terms of finite nuclear field effects. Analysis of the bond lengths and hyperfine interaction indicates that the bonding in both PbI and SnI is ionic in nature. Equilibrium bond lengths have been evaluated for both species.

Structures, stabilities, and electronic properties for rare-earth lanthanum doped gold clusters

International Nuclear Information System (INIS)

Zhao, Ya-Ru

2015-01-01

The structures, stabilities, and electronic properties of rare-earth lanthanum doped gold La 2 Au n (n = 1-9) and pure gold Au n (n ≤ 11) clusters have been investigated by using density functional theory. The optimized geometries show that the lowest energy structures of La 2 Au n clusters favour the 3D structure at n ≥ 3. The lanthanum atoms can strongly enhance the stabilities of gold clusters and tend to occupy the most highly coordinated position. By analysing the gap, vertical ionization potential, and chemical hardness, it is found that the La 2 Au 6 isomer possesses higher stability for small-sized La 2 Au n clusters (n = 1-9). The charges in the La 2 Au n clusters transfer from La atoms to the Au n host. In addition, Wiberg bond indices analysis reveals that the intensity of different bonds of La 2 Au n clusters exhibits a sequence of La-La bond > La-Au bond > Au-Au bond.

Diffusion mechanisms in intermetallic compounds

Energy Technology Data Exchange (ETDEWEB)

Larikov, L N [ANU, Inst. Metallofiziki, Kiev (Ukraine)

1992-08-01

Recent research aimed at the identification of the principal mechanisms of diffusion in intermetallics is reviewed. In particular, attention is given to the effect of the type of interatomic bond on the contribution of different mechanisms to diffusion in ordered metallic compounds. Results of an analysis of experimental determinations of diffusion coefficients D(A) and D(B) in binary intermetallics (CuZn, Cu3Sn, AuCd, AgZn, AgMg, InSb, GaSb, AlSb, Fe3Al, FeAl, FeAl3, Ni3Al, Ni3Nb, FeSn, FeSn2, Ni3Sn2, Ni3Sn4, Co3Sn2, CoSn, CoSn2, and CoGa) are presented, and it is shown that the D(A)/D(B) ratio differs substantially for different diffusion mechanisms. 60 refs.

Growing Platinum-Ruthenium-Tin ternary alloy nanoparticles on reduced graphene oxide for strong ligand effect toward enhanced ethanol oxidation reaction.