WorldWideScience

Sample records for pt111 single-crystal surfaces

  1. Dehydrogenation of benzene on Pt(111) surface

    Science.gov (United States)

    Gao, W.; Zheng, W. T.; Jiang, Q.

    2008-10-01

    The dehydrogenation of benzene on Pt(111) surface is studied by ab initio density functional theory. The minimum energy pathways for benzene dehydrogenation are found with the nudge elastic band method including several factors of the associated barriers, reactive energies, intermediates, and transient states. The results show that there are two possible parallel minimum energy pathways on the Pt(111) surface. Moreover, the tilting angle of the H atom in benzene can be taken as an index for the actual barrier of dehydrogenation. In addition, the properties of dehydrogenation radicals on the Pt(111) surface are explored through their adsorption energy, adsorption geometry, and electronic structure on the surface. The vibrational frequencies of the dehydrogenation radicals derived from the calculations are in agreement with literature data.

  2. Au(111) and Pt(111) surface phase behavior

    DEFF Research Database (Denmark)

    Sandy, A.R.; Mochrie, S.G.J.; Zehner, D.M.

    1993-01-01

    We describe our recent X-ray scattering studies of the structure and phases of the clean Au(111) and Pt(111) surfaces. Below 0.65 of their respective bulk melting temperatures, the Au(111) surface has a well-ordered chevron reconstruction and the Pt(111) surface is unreconstructed. Above these te......We describe our recent X-ray scattering studies of the structure and phases of the clean Au(111) and Pt(111) surfaces. Below 0.65 of their respective bulk melting temperatures, the Au(111) surface has a well-ordered chevron reconstruction and the Pt(111) surface is unreconstructed. Above...

  3. Correlação entre a estrutura atômica superficial e o processo de adsorção-dessorção reversível de hidrogênio em eletrodos monocristalinos Pt(111, Pt(100 e Pt(110 The correlation between the atomic surface structure and the reversible adsorption-desorption of hydrogen on single crystal Pt (111, Pt (100 and Pt (110 electrodes

    Directory of Open Access Journals (Sweden)

    Valderi Pacheco dos Santos

    2001-12-01

    Full Text Available Platinum is widely used as electrode in electrocatalytic processes, however the use of polycrystalline electrodes introduces a series of variables in the electrochemical system due to the aleatory contribution of all the crystallographic orientations with different surface packing of atoms. Single crystal platinum electrodes of low Miller index present surface structure of high regularity and serve as model to establish a correlation among the macroscopic and microscopic properties of the electrochemical interface. Therefore, the main aim of this work is the study of the voltammetric profiles of the reversible adsorption-desorption of hydrogen on Pt(100, Pt(110 and Pt(111, in order to correlate the electrochemical properties of each different orientation with the surface atomic structure.

  4. Understanding the Oxygen Reduction Reaction on a Y/Pt(111) Single Crystal

    DEFF Research Database (Denmark)

    Ulrikkeholm, Elisabeth Therese; Johansson, Tobias Peter; Malacrida, Paolo

    2014-01-01

    Polymer electrolyte membrane fuel cells (PEMFC) hold promise as a zero-emission source of power, particularly suitable for automotive vehicles. However, the high loading of Pt required to catalyse the oxygen reduction reaction (ORR) at the PEMFC cathode, prevents the commercialisation of this tec......Polymer electrolyte membrane fuel cells (PEMFC) hold promise as a zero-emission source of power, particularly suitable for automotive vehicles. However, the high loading of Pt required to catalyse the oxygen reduction reaction (ORR) at the PEMFC cathode, prevents the commercialisation...... using electrochemical measurements, low energy electron diffraction, ion scattering spectroscopy, angle resolved X-ray photoelectron spectroscopy, temperature programmed desorption of CO, and synchrotron based X-ray absorption spectroscopy and surface sensitive X-ray diffraction. These measurements were...

  5. Surface Relaxation and Electronic States of Pt(111) Surface with Varying Slab Thickness

    International Nuclear Information System (INIS)

    Kaushal, Ashok K.; Mullick, Shanta; Ahluwalia, P. K.

    2011-01-01

    Surface relaxation and electronic DOS's of Pt(111) surface have been studied with varying slab thickness using ab-initio SIESTA method. We found the expansion in the top layer and contraction in the subsurface layers of Pt(111) surface. Our results match with the experimental results. Also observing electronic density of states we found that as we increase the thickness of slab, the PDOS of Pt(111) surface goes towards the bulk density of states and Fermi energy shifts towards the bulk fermi energy.

  6. Alloy formation and chemisorption at Zn/Pt(111) bimetallic surfaces using alkali ISS, XPD, and TPD.

    Science.gov (United States)

    Ho, Chih-Sung; Martono, Eddie; Banerjee, Santanu; Roszell, John; Vohs, John; Koel, Bruce E

    2013-11-21

    Alloy formation and chemisorption at bimetallic surfaces formed by vapor-depositing Zn on a Pt(111) single crystal were investigated primarily by using X-ray photoelectron diffraction (XPD), X-ray photoelectron spectroscopy (XPS), low-energy alkali ion scattering spectroscopy (ALISS), low electron energy diffraction (LEED), and temperature programmed desorption (TPD). A wide range of conditions were investigated to explore whether deposition and annealing of Zn films could produce well-defined, ordered alloy surfaces, similar to those encountered for Sn/Pt(111) surface alloys. These attempts were unsuccessful, although weak, diffuse (2 × 2) spots were observed under special conditions. The particular PtZn bimetallic alloy created by annealing one monolayer of Zn on Pt(111) at 600 K, which has a Zn composition in the surface layer of about 5 at. %, was investigated in detail by using XPD and ALISS. Only a diffuse (1 × 1) pattern was observed from this surface by LEED, suggesting that no long-range, ordered alloy structure was formed. Zn atoms were substitutionally incorporated into the Pt(111) crystal to form a near-surface alloy in which Zn atoms were found to reside primarily in the topmost and second layers. The alloyed Zn atoms in the topmost layer are coplanar with the Pt atoms in the surface layer, without any "buckling" of Zn, that is, displacement in the vertical direction. This result is expected because of the similar size of Pt and Zn, based on previous studies of bimetallic Pt alloys. Zn atoms desorb upon heating rather than diffusing deep into the bulk of the Pt crystal. Temperature programmed desorption (TPD) measurements show that both CO and NO have lower desorption energies on the PtZn alloy surface compared to that on the clean Pt(111) surface.

  7. Characterization and methanol electrooxidation studies of Pt(111)/Os surfaces prepared by spontaneous deposition.

    Science.gov (United States)

    Johnston, Christina M; Strbac, Svetlana; Lewera, Adam; Sibert, Eric; Wieckowski, Andrzej

    2006-09-12

    Catalytic activity of the Pt(111)/Os surface toward methanol electrooxidation was optimized by exploring a wide range of Os coverage. Various methods of surface analyses were used, including electroanalytical, STM, and XPS methods. The Pt(111) surface was decorated with nanosized Os islands by spontaneous deposition, and the Os coverage was controlled by changing the exposure time to the Os-containing electrolyte. The structure of Os deposits on Pt(111) was characterized and quantified by in situ STM and stripping voltammetry. We found that the optimal Os surface coverage of Pt(111) for methanol electrooxidation was 0.7 +/- 0.1 ML, close to 1.0 +/- 0.1 Os packing density. Apparently, the high osmium coverage Pt(111)/Os surface provides more of the necessary oxygen-containing species (e.g., Os-OH) for effective methanol electrooxidation than the Pt(111)/Os surfaces with lower Os coverage (vs e.g., Ru-OH). Supporting evidence for this conjecture comes from the CO electrooxidation data, which show that the onset potential for CO stripping is lowered from 0.53 to 0.45 V when the Os coverage is increased from 0.2 to 0.7 ML. However, the activity of Pt(111)/Os for methanol electrooxidation decreases when the Os coverage is higher than 0.7 +/- 0.1 ML, indicating that Pt sites uncovered by Os are necessary for sustaining significant methanol oxidation rates. Furthermore, osmium is inactive for methanol electrooxidation when the platinum substrate is absent: Os deposits on Au(111), a bulk Os ingot, and thick films of electrodeposited Os on Pt(111), all compare poorly to Pt(111)/Os. We conclude that a bifunctional mechanism applies to the methanol electrooxidation similarly to Pt(111)/Ru, although with fewer available Pt sites. Finally, the potential window for methanol electrooxidation on Pt(111)/Os was observed to shift positively versus Pt(111)/Ru. Because of the difference in the Os and Ru oxophilicity under electrochemical conditions, the Os deposit provides fewer

  8. Single Crystal Surfaces

    Science.gov (United States)

    Aguilar-Santillan, Joaquin

    2014-06-01

    The present work studies (0001) Al2O3 and (111) Al2MgO4 wetting with pure molten Al by the sessile drop technique from 1073 K to 1473 K (800 °C to 1200 °C) under Ar at PO2 10-15 Pa. Al pure liquid wets a smooth and chemically homogeneous surface of an inert solid, the wetting driving force ( t, T) can be readily studied when surface solid roughness increases in the system. Both crystals planes (0001) Al2O3 and (111) Al2MgO4 have crystallographic surfaces with identical O-2 crystalline positions however considering Mg2+ content in Al2MgO4 structure may influence a reactive mode. Kinetic models results under similar experimental conditions show that Al wetting on (0001) Al2O3 is less reactive than (111) Al2MgO4, however at >1273 K (1000 °C) (0001) Al2O3 transformation occurs and a transition of wetting improves. The (111) Al2MgO4 and Al system promotes interface formations that slow its wetting process.

  9. Adsorption and reaction of propanal, 2-propenol and 1-propanol on Ni/Pt(111) bimetallic surfaces

    Science.gov (United States)

    Murillo, Luis E.; Chen, Jingguang G.

    2008-07-01

    The hydrogenation of acrolein (CH 2dbnd CH sbnd CH dbnd O) can lead to the formation of three hydrogenation products, 2-propenol (CH 2dbnd CH sbnd CH 2sbnd OH), propanal (CH 3sbnd CH 2sbnd CH dbnd O), and 1-propanol (CH 3sbnd CH 2sbnd CH 2sbnd OH). In the current study the adsorption and reaction of these three molecules were investigated on Ni/Pt(111) surfaces to understand the different hydrogenation pathways of acrolein, using temperature programmed desorption (TPD) and high resolution electron energy loss spectroscopy (HREELS). TPD experiments showed that 2-propenol underwent isomerization toward propanal on Pt(111) and the Pt sbnd Ni sbnd Pt(111) bimetallic surface, with a dominant decarbonylation pathway on the Pt(111) surface. A self-hydrogenation (disproportionation) pathway toward 1-propanol was observed on the Ni(111) film, however, the decarbonylation pathway was found to be the most dominant on this surface. Unlike 2-propenol, propanal did not undergo isomerization or self-hydrogenation pathways on any of the surfaces, with the dominant pathway being primarily the decarbonylation on Pt(111) and Ni(111). In contrast, 1-propanol underwent mainly molecular desorption from all three surfaces. These results provided additional understanding of previous studies of hydrogenation pathways of acrolein on the Ni/Pt(111) surfaces.

  10. Initial stages of Pt(111) electrooxidation: dynamic and structural studies by surface X-ray diffraction

    International Nuclear Information System (INIS)

    Drnec, Jakub; Ruge, Martin; Reikowski, Finn; Rahn, Björn; Carlà, Francesco; Felici, Roberto; Stettner, Jochim; Magnussen, Olaf M.; Harrington, David A.

    2017-01-01

    In-situ surface X-ray diffraction is used to characterize the surface oxides on a Pt(111) surface in 0.1 M HClO 4 . Detailed analysis at two potentials confirms that the surface restructuring in the initial oxidation stages is consistent with a place exchange process between Pt and O atoms, and the exchanged Pt atoms are located above their original positions in the Pt(111) lattice. The (1,1,1.5) reflection is used to dynamically study the surface during cyclic voltammetry. The restructuring associated with the place exchange initiates with the CV peak at 1.05 V, even though multiple cycles to 1.17 V lead to no changes in the CV. The restructuring is reversible below a critical coverage of place exchanged Pt atoms, which we estimate to be between 0.07 and 0.15 ML. Extensive cycling to potentials higher or equal to 1.17 V leads to progressive disordering of the surface.

  11. The interplay between surface-water and hydrogen bonding in a water adlayer on Pt(111) and Ag(111)

    Energy Technology Data Exchange (ETDEWEB)

    Delle Site, Luigi [Max-Planck-Institut fuer Polymerforschung, Ackermannweg 10, D-55128 Mainz (Germany); Ghiringhelli, Luca M [Max-Planck-Institut fuer Polymerforschung, Ackermannweg 10, D-55128 Mainz (Germany); Andreussi, Oliviero [Scuola Normale Superiore, Piazza dei Cavalieri 7, 56100 Pisa (Italy); Donadio, Davide [Computational Science, Department of Chemistry and Applied Biosciences, ETH Zurich, USI-Campus, via Giuseppe Buffi 13, CH-6900 Lugano (Switzerland); Parrinello, Michele [Scuola Normale Superiore, Piazza dei Cavalieri 7, 56100 Pisa (Italy)

    2007-06-20

    The structure of a water adlayer on a Pt(111) surface is investigated by means of extensive first-principles calculations. Allowing for proton disorder, the ground state energy for the {radical}3 x {radical}3R30{sup o} structure can be found. This results from an interplay between water/metal chemical bonding and the hydrogen bonding of the water network. This picture is supported by substituting Pt(111) with Ag(111): the almost inert surface allows for the reconstruction of the hydrogen network. (fast track communication)

  12. The interplay between surface-water and hydrogen bonding in a water adlayer on Pt(111) and Ag(111)

    International Nuclear Information System (INIS)

    Delle Site, Luigi; Ghiringhelli, Luca M; Andreussi, Oliviero; Donadio, Davide; Parrinello, Michele

    2007-01-01

    The structure of a water adlayer on a Pt(111) surface is investigated by means of extensive first-principles calculations. Allowing for proton disorder, the ground state energy for the √3 x √3R30 o structure can be found. This results from an interplay between water/metal chemical bonding and the hydrogen bonding of the water network. This picture is supported by substituting Pt(111) with Ag(111): the almost inert surface allows for the reconstruction of the hydrogen network. (fast track communication)

  13. Nucleation and growth of C60 overlayers on the Ag/Pt(111) dislocation network surface

    International Nuclear Information System (INIS)

    Ait-Mansour, K; Ruffieux, P; Xiao, W; Fasel, R; Groening, P; Groening, O

    2007-01-01

    We have investigated the room temperature growth of C 60 overlayers on the strainrelief dislocation network formed by two monolayers of Ag on Pt(111) by means of scanning tunneling microscopy. Extended domains of highly ordered dislocation networks with a typical superlattice parameter of 6.8 nm have been prepared, serving as templates for subsequent C 60 depositions. For low C 60 coverages, the molecules decorate the step-edges, where also the first islands nucleate. This indicates that at room temperature the C 60 molecules are sufficiently mobile to cross the dislocation lines and to diffuse to the step-edges. For C 60 coverages of 0.4 monolayer, besides the islands nucleated at the step-edges, C 60 islands also grow in the middle of terraces. The C 60 islands typically extend over several unit cells of the dislocation network and show an unusual orientation of the hexagonally close-packed C 60 lattice as compared to that found on the bare Ag(111) surface. Whereas C 60 grows preferentially in a (2 √3 x 2 √3) R30 0 structure on Ag(111), on the Ag/Pt(111) dislocation network the C 60 lattice adopts an orientation rotated by 30 0 , with the close-packed C 60 rows aligned along the dislocations which themselves are aligned along the Ag(1-10) directions. For higher coverages in the range of 1-2 monolayers, the growth of C 60 continues in a layer-by-layer fashion

  14. Ab-initio study of the coadsorption of Li and H on Pt(001), Pt(110) and Pt(111) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Saad, Farida [Laboratoire de Physique et Chimie Quantique, Faculte des Sciences, Universite Mouloud Mammeri, 15000 Tizi-Ouzou (Algeria); Zemirli, Mourad, E-mail: zemirlimourad@mail.ummto.dz [Laboratoire de Physique et Chimie Quantique, Faculte des Sciences, Universite Mouloud Mammeri, 15000 Tizi-Ouzou (Algeria); Benakki, Mouloud; Bouarab, Said [Laboratoire de Physique et Chimie Quantique, Faculte des Sciences, Universite Mouloud Mammeri, 15000 Tizi-Ouzou (Algeria)

    2012-02-15

    The coadsorption of Li and H atoms on Pt(001), Pt(110) and Pt(111) surfaces is studied using density functional theory with generalised gradient approximation. In all calculations Li, H and the two topmost layers of the metal were allowed to relax. At coverage of 0.25 mono-layer in a p(2 Multiplication-Sign 2) unit cell, lithium adsorption at the hollow site for the three surfaces is favoured over top and bridge sites. The most favoured adsorption sites for H atom on the Pt(001) and Pt(110) surfaces are the top and bridge sites, while on Pt(111) surface the fcc site appears to be slightly favoured over the hcp site. The coadsorption of Li and atomic hydrogen shows that the interaction between the two adsorbates is stabilising when they are far from each other. The analysis of Li, H and Pt local density of states shows that Li strongly interacts with the Pt surfaces.

  15. Formate stability and carbonate hydrogenation on strained Cu overlayers on Pt(111)

    DEFF Research Database (Denmark)

    Schumacher, Nana Maria Pii; Andersson, Klas Jerker; Nerlov, Jesper

    2008-01-01

    Formate (HCOO) synthesis, decomposition and the hydrogenation of carbonate (CO3) on Cu overlayers deposited on a Pt(111) single crystal are investigated to examine the reactivity of a Cu surface under tensile strain with defects present. Formate is synthesized from a 0.5 bar mixture of 70% CO2...

  16. Time-resolved measurements of laser-induced diffusion of CO molecules on stepped Pt(111)-surfaces; Zeitaufgeloeste Untersuchung der laser-induzierten Diffusion von CO-Molekuelen auf gestuften Pt(111)-Oberflaechen

    Energy Technology Data Exchange (ETDEWEB)

    Lawrenz, M.

    2007-10-30

    In the present work the dynamics of CO-molecules on a stepped Pt(111)-surface induced by fs-laser pulses at low temperatures was studied by using laser spectroscopy. In the first part of the work, the laser-induced diffusion for the CO/Pt(111)-system could be demonstrated and modelled successfully for step diffusion. At first, the diffusion of CO-molecules from the step sites to the terrace sites on the surface was traced. The experimentally discovered energy transfer time of 500 fs for this process confirms the assumption of an electronically induced process. In the following it was explained how the experimental results were modelled. A friction coefficient which depends on the electron temperature yields a consistent model, whereas for the understanding of the fluence dependence and time-resolved measurements parallel the same set of parameters was used. Furthermore, the analysis was extended to the CO-terrace diffusion. Small coverages of CO were adsorbed to the terraces and the diffusion was detected as the temporal evolution of the occupation of the step sites acting as traps for the diffusing molecules. The additional performed two-pulse correlation measurements also indicate an electronically induced process. At the substrate temperature of 40 K the cross-correlation - where an energy transfer time of 1.8 ps was extracted - suggests also an electronically induced energy transfer mechanism. Diffusion experiments were performed for different substrate temperatures. (orig.)

  17. Reduction of NO adlayers on Pt(110) and Pt(111) in acidic media: evidence for adsorption site-specific reduction

    NARCIS (Netherlands)

    Rosca, V.; Beltramo, G.L.; Koper, M.T.M.

    2005-01-01

    We present a combined in situ Fourier transform infrared reflection-absorption spectroscopy and voltammetric study of the reduction of saturated and subsaturated NO adlayers on Pt(111) and Pt(110) single-crystal surfaces in acidic media. The stripping voltammetry experiments and the associated

  18. Methanol adsorption on Pt(111)

    International Nuclear Information System (INIS)

    Melo, A.V.; Chottiner, G.S.; Hoffman, R.W.; O'Grady, W.E.

    1984-12-01

    High resolution electron energy loss spectroscopy has been used to study the decomposition of methanol on a Pt(111) surface. Several intermediate states in the decomposition are identified by quenching the sample when reactions occur. At 100 K a set of peaks at 800, 1040, 1350, and 2890 cm -1 indicates the presence of a multilayer molecularly adsorbed methanol. As the sample is warmed to 130 K peaks develop at 1700 and 2780 cm -1 , suggesting the formation of formaldehyde on the surface. With further heating, peaks grow at 1820 and 2560 cm -1 due to the formation of a formyl species during the decomposition of methanol over Pt(111). Further heating leads to the final conversion of the surface species to adsorbed CO and carbonaceous residues

  19. A time effect in the early stages of a surface oxidation of a Pt(111 plane in alkaline solution

    Directory of Open Access Journals (Sweden)

    J. D. LOVIC

    2001-12-01

    Full Text Available A time effect in the early stages of surface oxidation of a Pt(111 plane in 0.1 M NaOH solution was studied by examining the reduction parts of the j/E profile recorded after holding the potential for various times at several values at the end of anodic-going sweeps. The processes associated with the two peaks, which appear in the anodic part of the voltammogram, are assigned to the early stages of a surface oxidation. Two OHad states are suggested based on the existence of reversibly or weakly bound OHad species and irreversibly or strongly bound OHad species. The reversibly bound OHad species are involved in the “normal” structure of the butterfly peak, while the irreversibly adsorbed OHad species can be obtained only by the slow diffusion of a part of the initially electrosorbed OH species from sites with low to sites with higher binding energies. The irreversibly reduced OHad species cannot be completely removed from the surface causing, therefore, some permanent transformation of the initial state of the surface. This kind of species was not detected in the area of the second oxidation peak. The phenomena observed in the reduction part of the j/E profile induced by a time effect in the second peak could be associated with a place-exchange mechanism between oxygen containing species, whatever they are, and the platinum surface.

  20. Atomic Structure Control of Silica Thin Films on Pt(111)

    KAUST Repository

    Crampton, Andrew S

    2015-05-27

    Metal oxide thin films grown on metal single crystals are commonly used to model heterogeneous catalyst supports. The structure and properties of thin silicon dioxide films grown on metal single crystals have only recently been thoroughly characterized and their spectral properties well established. We report the successful growth of a three- dimensional, vitreous silicon dioxide thin film on the Pt(111) surface and reproduce the closed bilayer structure previously reported. The confirmation of the three dimensional nature of the film is unequivocally shown by the infrared absorption band at 1252 cm−1. Temperature programmed desorption was used to show that this three-dimensional thin film covers the Pt(111) surface to such an extent that its application as a catalyst support for clusters/nanoparticles is possible. The growth of a three-dimensional film was seen to be directly correlated with the amount of oxygen present on the surface after the silicon evaporation process. This excess of oxygen is tentatively attributed to atomic oxygen being generated in the evaporator. The identification of atomic oxygen as a necessary building block for the formation of a three-dimensional thin film opens up new possibilities for thin film growth on metal supports, whereby simply changing the type of oxygen enables thin films with different atomic structures to be synthesized. This is a novel approach to tune the synthesis parameters of thin films to grow a specific structure and expands the options for modeling common amorphous silica supports under ultra high vacuum conditions.

  1. Atom distribution and interactions in Ag{sub x}Pt{sub 1-x} and Au{sub x}Pt{sub 1-x} surface alloys on Pt(111)

    Energy Technology Data Exchange (ETDEWEB)

    Roetter, Ralf T.; Bergbreiter, Andreas; Hoster, Harry E.; Behm, R. Juergen [Institute of Surface Chemistry and Catalysis, Ulm University, D-89069 Ulm (Germany)

    2009-07-01

    The atom distributions in Ag{sub x}Pt{sub 1-x}/Pt(111) and Au{sub x}Pt{sub 1-x}/Pt(111) surface alloys were studied by high resolution UHV-STM. These surfaces were prepared by submonolayer Ag (Au) metal deposition on Pt(111), followed by annealing at 900 K or 1000 K, respectively, which in both cases results in surface confined 2D alloys, with equilibrated distribution of the components. Both systems show a tendency towards two-dimensional clustering, which fits well to their known bulk immiscibility. Effective cluster interactions (ECIs) will be derived by a quantitative evaluation of the 2D atom distributions in the surface alloys. By comparing the ECIs for PtAg and PtAu on Pt(111), and considering that Ag and Au have almost similar lattice constants, the results allow conclusion on the physical origin of the tendency for clustering.

  2. Growth and surface topography of WSe_2 single crystal

    International Nuclear Information System (INIS)

    Dixit, Vijay; Vyas, Chirag; Pataniya, Pratik; Jani, Mihir; Pathak, Vishal; Patel, Abhishek; Pathak, V. M.; Patel, K. D.; Solanki, G. K.

    2016-01-01

    Tungsten Di-Selenide belongs to the family of TMDCs showing their potential applications in the fields of Optoelectronics and PEC solar cells. Here in the present investigation single crystals of WSe_2 were grown by Direct Vapour Transport Technique in a dual zone furnace having temperature difference of 50 K between the two zones. These single crystals were characterized by EDAX which confirms the stiochiometry of the grown crystals. Surface topography of the crystal was studied by optical micrograph showing the left handed spirals on the surface of WSe_2 crystals. Single crystalline nature of the crystals was confirmed by SAED.

  3. Surface reaction modification: The effect of structured overlayers of sulfur on the kinetics and mechanism of the decomposition of formic acid on Pt(111)

    Science.gov (United States)

    Abbas, N.; Madix, R. J.

    The reaction of formic acid (DCOOH) on Pt(111), Pt(111)-(2×2)S and Pt(111)-(√3×√3)R30°S surfaces was examined by temperature programmed reaction spectroscopy. On the clean surface formic acid decomposed to yield primarily carbon dioxide and the hydrogenic species (H 2, HD and D 2) at low coverages. Although the formation of water and carbon monoxide via a dehydration reaction was observed at these coverages, the yield of these products was small when compared to the other products of reaction. The evolution of CO 2 at low temperature was ascribed to the decomposition of the formate intermediate. In the presence of sulfur the amount of molecularly adsorbed formic acid decreased up to a factor of three on the (√3×√3)R30°S surface, and a decline in the reactivity of over an order of magnitude was also observed. The only products formed were the hydrogenic species and carbon dioxide. The absence of carbon monoxide indicated that the dehydration pathway was blocked by sulfur. In addition to the low temperature CO 2 peak a high temperature CO 2-producing path was also evident. It was inferred from both the stoichiometry and the coincident evolution of D 2 and CO 2 in the high temperature states that these products also evolved due to the decomposition of the formate intermediate. On increasing the sulfur coverage to one-third monolayer this intermediate was further stabilized, and a predominance of the decomposition via the high temperature path was observed. Stability of the formate intermediate was attributed to inhibition of the decomposition reaction by sulfur atoms. The activation energy for formate decomposition increased from 15 kcal/gmole on the clean surface to 24.3 kcal/gmol on the (√3×√3)R30°S overlayer.

  4. Probing adsorption phenomena on a single crystal Pt-alloy surface under oxygen reduction reaction conditions

    DEFF Research Database (Denmark)

    Bondarenko, Alexander S.; Stephens, Ifan E.L.; Bech, Lone

    2012-01-01

    The adsorption dynamics of *OH and *O species at Pt(111) and Cu/Pt(111) near-surface alloy (NSA) surfaces in oxygen-free and O2-saturated 0.1M HClO4 was investigated. Subsurface Cu modifies the electronic structure at the Pt(111) surface resulting in weaker bonding to adsorbates like *OH, *H or *O....... This provides a basis for the high oxygen reduction activity of the NSA, as predicted by density functional theory calculations. The shift in *OH adsorption of around 0.16V towards more positive potentials can be clearly monitored in absence of O2 and under the oxygen reduction reaction (ORR) conditions...... for the Cu/Pt(111) NSA. In both cases, for Pt(111) and NSA, the *OH(*O) adsorption dynamics is very similar in the absence of oxygen and under ORR conditions. Therefore, theoretical assumptions about the coverage of adsorbates in the absence of oxygen can be reasonably extrapolated to the situation when...

  5. Mode-selective chemistry on metal surfaces: The dissociative chemisorption of CH{sub 4} on Pt(111)

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Han; Jackson, Bret, E-mail: jackson@chem.umass.edu [Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003 (United States)

    2016-05-14

    A quantum approach based on an expansion in vibrationally adiabatic eigenstates is used to explore CH{sub 4} dissociation on Pt(111). Computed sticking probabilities for molecules in the ground, 1v{sub 3} and 2v{sub 3}, states are in very good agreement with the available experimental data, reproducing the variation in reactivity with collision energy and vibrational state. As was found in similar studies on Ni(100) and Ni(111), exciting the 1v{sub 1} symmetric stretch of CH{sub 4} is more effective at promoting the dissociative chemisorption of CH{sub 4} than exciting the 1v{sub 3} antisymmetric stretch. This behavior is explained in terms of symmetry, mode-softening, and nonadiabatic transitions between vibrationally adiabatic states. We find that the efficacies of the bending modes for promoting reaction are reasonably large, and similar to the 1v{sub 3} state. The vibrational efficacies for promoting reaction on Ni(111) are larger than for reaction on Pt(111), due to the larger nonadiabatic couplings. Our computed sticking probabilities are in good agreement with results from recent ab initio molecular dynamics and reactive force field studies.

  6. The early stages of oxidation of magnesium single crystal surfaces

    International Nuclear Information System (INIS)

    Hayden, B.E.; Schweizer, E.; Koetz, R.; Bradshaw, A.M.

    1981-01-01

    The early stages of oxidation of Mg(001) and Mg(100) single crystal surfaces at 300 K have been investigated by LEED, ELS, work function and ellipsometric measurements. A sharp decrease in work function on both surfaces during the first 12 L exposure indicates the incorporation of oxygen in the earliest stages of the interaction. The incorporated oxygen on Mg(001) gives rise to a broadening of the integral order LEED spots for an exposure 3 L. (orig.)

  7. The screening effects of the screened exchange hybrid functional in surface systems: A case study on the CO/Pt(111) problem

    Energy Technology Data Exchange (ETDEWEB)

    Li, H., E-mail: li-huanglong@mail.tsinghua.edu.cn [Department of Precision Instrument, Tsinghua University, Beijing, 100084 (China); Gillen, R. [Institut für Festkörperphysik. Technische Universität Berlin. Hardenbergstr. 36, 10623 Berlin (Germany); Robertson, J., E-mail: jr214@cam.ac.uk [Engineering Department, University of Cambridge, Cambridge CB2 1PZ (United Kingdom)

    2016-06-15

    The screened exchange (sX) hybrid functional has been widely used in computational material science. Although it has widely been studied in bulk systems, less is known about its functional behavior in surface systems which are crucial to many technologies such as materials synthesis and nano-electronic devices. Assessing the screening dependent functional behaviors in the surface systems is therefore important for its application in such systems. In this work, we investigate the screening effects of the sX in CO adsorption on Pt(111) surface. The differences between the sX and Heyd-Scuseria-Ernzerhof (HSE06) hybrid functionals, and the effects of screening parameters are studied. The screening has two effects: first, the HOMO-LUMO gap is screening dependent. This affects the site preference most significantly. In this work, atop adsorption of CO/Pt(111) is predicted by the hybrid functionals with screened exchange potential. The sX(1.44) gives the largest HOMO-LUMO gap for the isolated CO molecule. The adsorption energy difference between the atop and fcc site is also the largest by the sX(1.44) which is explained by the reduced metal d states to the CO 2π* state back-donation, with stronger effect for the fcc adsorption than for the atop adsorption; second, the adsorption energy is screening dependent. This can be seen by comparing the sX(2.38) and HSE06 which have different screening strengths. They show similar surface band structures for the CO adsorption but different adsorption energies, which is explained by the stronger CO 5σ state to the metal d states donation or the effectively screened Pauli repulsion. This work underlines the screening strength as a main difference between sX and HSE06, as well as an important hybrid functional parameter for surface calculation.

  8. Photoinduced surface voltage mapping study for large perovskite single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiaojing; Liu, Yucheng; Gao, Fei; Yang, Zhou [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Laboratory for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi' an 710062 (China); Liu, Shengzhong, E-mail: liusz@snnu.edu.cn [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Laboratory for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi' an 710062 (China); Dalian Institute of Chemical Physics, iChEM, Dalian National Laboratory for Clean Energy, Chinese Academy of Sciences, Dalian 116023 (China)

    2016-05-02

    Using a series of illumination sources, including white light (tungsten-halogen lamp), 445-nm, 532-nm, 635-nm, and 730-nm lasers, the surface photovoltage (SPV) images were mapped for centimeter-sized CH{sub 3}NH{sub 3}PbX{sub 3} (X = Cl, Br, I) perovskite single crystals using Kelvin probe force microscopy. The significant SPV signals were observed to be wavelength-dependent. We attribute the appreciable SPV to the built-in electric field in the space charge region. This study shines light into the understanding of photoinduced charge generation and separation processes at nanoscale to help advance the development of perovskite solar cells, optoelectronics, laser, photodetector, and light-emitting diode (LED).

  9. Understanding surface structure and chemistry of single crystal lanthanum aluminate

    KAUST Repository

    Pramana, Stevin S.

    2017-03-02

    The surface crystallography and chemistry of a LaAlO3 single crystal, a material mainly used as a substrate to deposit technologically important thin films (e.g. for superconducting and magnetic devices), was analysed using surface X-ray diffraction and low energy ion scattering spectroscopy. The surface was determined to be terminated by Al-O species, and was significantly different from the idealised bulk structure. Termination reversal was not observed at higher temperature (600 °C) and chamber pressure of 10−10 Torr, but rather an increased Al-O occupancy occurred, which was accompanied by a larger outwards relaxation of Al from the bulk positions. Changing the oxygen pressure to 10−6 Torr enriched the Al site occupancy fraction at the outermost surface from 0.245(10) to 0.325(9). In contrast the LaO, which is located at the next sub-surface atomic layer, showed no chemical enrichment and the structural relaxation was lower than for the top AlO2 layer. Knowledge of the surface structure will aid the understanding of how and which type of interface will be formed when LaAlO3 is used as a substrate as a function of temperature and pressure, and so lead to improved design of device structures.

  10. Simulations of surface stress effects in nanoscale single crystals

    Science.gov (United States)

    Zadin, V.; Veske, M.; Vigonski, S.; Jansson, V.; Muszinsky, J.; Parviainen, S.; Aabloo, A.; Djurabekova, F.

    2018-04-01

    Onset of vacuum arcing near a metal surface is often associated with nanoscale asperities, which may dynamically appear due to different processes ongoing in the surface and subsurface layers in the presence of high electric fields. Thermally activated processes, as well as plastic deformation caused by tensile stress due to an applied electric field, are usually not accessible by atomistic simulations because of the long time needed for these processes to occur. On the other hand, finite element methods, able to describe the process of plastic deformations in materials at realistic stresses, do not include surface properties. The latter are particularly important for the problems where the surface plays crucial role in the studied process, as for instance, in the case of plastic deformations at a nanovoid. In the current study by means of molecular dynamics (MD) and finite element simulations we analyse the stress distribution in single crystal copper containing a nanovoid buried deep under the surface. We have developed a methodology to incorporate the surface effects into the solid mechanics framework by utilizing elastic properties of crystals, pre-calculated using MD simulations. The method leads to computationally efficient stress calculations and can be easily implemented in commercially available finite element software, making it an attractive analysis tool.

  11. Photoelectron diffraction studies of small adsorbates on single crystal surfaces

    International Nuclear Information System (INIS)

    Pascal, Mathieu

    2002-01-01

    The structural determination of small molecules adsorbed on single crystal surfaces has been investigated using scanned energy mode photoelectron diffraction (PhD). The experimental PhD data were compared to theoretical models using a simulation program based on multiple scattering calculations. Three adsorption systems have been examined on Ag(110), Cu(110) and Cu(111) crystals. The structure of the (2x1)-O adsorption phase on Ag(110) revealed that the O atoms occupied the long bridge site and are almost co-planar with the top layer of Ag atoms. The best agreement between multiple scattering theory and experiment has been obtained for a missing-row (or equivalently an 'added- row') reconstruction. Alternative buckled-row and unreconstructed surface models can be excluded. The adsorption of the benzoate species on Cu(110) has been found to occur via the carboxylate group. The molecules occupy short bridge sites with the O atoms being slightly displaced from atop sites and are aligned along the close-packed azimuth. The tilt of the molecule with respect to the surface and the degree to which the surface is relaxed have also been investigated. The adsorption of methyl on Cu(111) was studied using either azomethane or methyl iodide to prepare the surface layers. At saturation coverage the preferred adsorption site is the fcc threefold hollow site, whereas at half saturation coverage ∼ 30 % of the methyl species occupy the hop threefold hollow sites. Best agreement between theory and experiment corresponded to a methyl group adsorbed with C 3v symmetry. The height of the C above the surface in a pure methyl layer was 1.66 ± 0.02 A, but was reduced to 1.62 ± 0.02 A in the presence of co-adsorbed iodine, suggesting that iodine increases the strength of adsorption. Iodine was also found to occupy the fee threefold hollow sites with a Cu-l bondlength of 2.61 ± 0.02 A. (author)

  12. Direct inelastic scattering of oriented NO from Ag(111) and Pt(111)

    International Nuclear Information System (INIS)

    Tenner, M.G.; Kuipers, E.W.; Kleyn, A.W.; Stolte, S.

    1991-01-01

    A pulsed supersonic and cold oriented beam of NO molecules is incident upon the (111) face of clean Ag and Pt single crystal surfaces. The steric effect in the scattered density distributions is determined by a quadrupole mass spectrometer. It is found that the steric effect in the peak in the distribution of direct inelastically scattered molecules depends linearly on the reflection angle. In all circumstances O-end collisions lead to scattering angles more inclined towards the surface than N-end collisions. For the Pt(111) surface a much stronger steric effect is measured than for the Ag(111) surface. The steric effect seems to scale with the incident normal velocity. These strong steric effects can be explained by the larger trapping probability for the N-end orientation and a leverage effect due to the high trapping probability

  13. Study of dopamine reactivity on platinum single crystal electrode surfaces

    International Nuclear Information System (INIS)

    Chumillas, Sara; Figueiredo, Marta C.; Climent, Víctor; Feliu, Juan M.

    2013-01-01

    Dopamine is the biological molecule responsible, among other functions, of the heart beat and blood pressure regulation. Its loss, in the human body, can result in serious diseases such as Parkinson's, schizophrenia or depression. Structurally, this molecule belongs to the group of catecholamines, together with epinephrine (adrenaline) and norepinephrine (noradrenaline). The hydroquinone moiety of the molecule can be easily oxidized to quinone, rendering the electrochemical methods a convenient approach for the development of dopamine biosensors. The reactivity of similar aromatic molecules, such as catechol and hydroquinone, at well-ordered platinum surfaces, has recently been investigated in our group. In this paper, we extend these studies to the structurally related molecule dopamine. The study has been performed in neutral pH, since this is closer to the natural conditions for these molecules in biological media. Cyclic voltammetry and in situ infra-red spectroscopy have been combined to extract information about the behavior of this molecule on well-defined platinum surfaces. Dopamine appears to be electrochemically active and reveals interesting adsorption phenomena at low potentials (0.15–0.25 V vs RHE), sensitive to the single crystal orientation. The adsorption of dopamine on these surfaces is very strong, taking place at much lower potentials than the electron transfer from solution species. Specifically, the voltammetry of Pt(1 1 1) and Pt(1 0 0) in dopamine solutions shows an oxidation peak at potentials close to the onset of hydrogen evolution, which is related to the desorption of hydrogen and the adsorption of dopamine. On the other hand, adsorption on Pt(1 1 0) is irreversible and the surface appears totally blocked. Spectroscopic results indicate that dopamine is adsorbed flat on the surface. At potentials higher than 0.6 V vs RHE the three basal planes show a common redox process. The initial formation of the quinone moiety is followed by a

  14. Towards the elucidation of the high oxygen electroreduction activity of PtxY: surface science and electrochemical studies of Y/Pt(111)

    DEFF Research Database (Denmark)

    Johansson, Tobias Peter; Ulrikkeholm, Elisabeth Therese; Hernandez-Fernandez, Patricia

    2014-01-01

    programmed desorption of CO. When depositing a large amount of yttrium at 1173 K, a (1.88 × 1.88)R30° structure relative to Pt(111) was observed by low energy electron diffraction. Such an electron diffraction pattern could correspond to a (2 × 2)R30° structure under 6% compressive strain. This structure...... is in agreement with the structure of the vacancies in a Pt Kagomé layer in Pt5Y rotated 30° with respect to the bulk of the Pt(111). The Pt overlayer is relatively stable in air; however, after performing oxygen reduction activity measurements in an electrochemical cell, a thick Pt overlayer was measured...

  15. Adsorption studies on Pt(111)

    International Nuclear Information System (INIS)

    Hopster, H.

    1977-06-01

    The adsorption of O 2 , CO, and C 2 H 2 as well as the CO oxidation on Pt(111) were studied by high-resolution electron spectroscopy. Using a platinum monocrystal sample with a contonuous stage density, the adhesion coefficient for O 2 and the reaction probability for CO were determined as a function of stage density and oxygen cover by measuring the oxygen cover and its time behaviour. The study of vibrations of adsorbed CO showed that CO is bound in linear form on two different adsorption sites. The adsorption of acetylene was studied at 140 K and 300 K. The frequencies of the C-H stretching and flexural vibrations as well as the C-C-H bonding angle were determined. (orig./GSC) [de

  16. Surface and subsurface cracks characteristics of single crystal SiC wafer in surface machining

    Energy Technology Data Exchange (ETDEWEB)

    Qiusheng, Y., E-mail: qsyan@gdut.edu.cn; Senkai, C., E-mail: senkite@sina.com; Jisheng, P., E-mail: panjisheng@gdut.edu.cn [School of Electromechanical Engineering, Guangdong University of Technology, Guangzhou, 510006 (China)

    2015-03-30

    Different machining processes were used in the single crystal SiC wafer machining. SEM was used to observe the surface morphology and a cross-sectional cleavages microscopy method was used for subsurface cracks detection. Surface and subsurface cracks characteristics of single crystal SiC wafer in abrasive machining were analysed. The results show that the surface and subsurface cracks system of single crystal SiC wafer in abrasive machining including radial crack, lateral crack and the median crack. In lapping process, material removal is dominated by brittle removal. Lots of chipping pits were found on the lapping surface. With the particle size becomes smaller, the surface roughness and subsurface crack depth decreases. When the particle size was changed to 1.5µm, the surface roughness Ra was reduced to 24.0nm and the maximum subsurface crack was 1.2µm. The efficiency of grinding is higher than lapping. Plastic removal can be achieved by changing the process parameters. Material removal was mostly in brittle fracture when grinding with 325# diamond wheel. Plow scratches and chipping pits were found on the ground surface. The surface roughness Ra was 17.7nm and maximum subsurface crack depth was 5.8 µm. When grinding with 8000# diamond wheel, the material removal was in plastic flow. Plastic scratches were found on the surface. A smooth surface of roughness Ra 2.5nm without any subsurface cracks was obtained. Atomic scale removal was possible in cluster magnetorheological finishing with diamond abrasive size of 0.5 µm. A super smooth surface eventually obtained with a roughness of Ra 0.4nm without any subsurface crack.

  17. Anisotropic surface hole-transport property of triphenylamine-derivative single crystal prepared by solution method

    Energy Technology Data Exchange (ETDEWEB)

    Umeda, Minoru, E-mail: mumeda@vos.nagaokaut.ac.jp [Nagaoka University of Technology, Kamitomioka, Nagaoka, Niigata 940-2188 (Japan); Katagiri, Mitsuhiko; Shironita, Sayoko [Nagaoka University of Technology, Kamitomioka, Nagaoka, Niigata 940-2188 (Japan); Nagayama, Norio [Nagaoka University of Technology, Kamitomioka, Nagaoka, Niigata 940-2188 (Japan); Ricoh Company, Ltd., Nishisawada, Numazu, Shizuoka 410-0007 (Japan)

    2016-12-01

    Highlights: • A hole transport molecule was investigated based on its electrochemical redox characteristics. • The solubility and supersolubility curves of the molecule were measured in order to prepare a large crystal. • The polarization micrograph and XRD results revealed that a single crystal was obtained. • An anisotropic surface conduction, in which the long-axis direction exceeds that of the amorphous layer, was observed. • The anisotropic surface conduction was well explained by the molecular stacked structure. - Abstract: This paper reports the anisotropic hole transport at the triphenylamine-derivative single crystal surface prepared by a solution method. Triphenylamine derivatives are commonly used in a hole-transport material for organic photoconductors of laser-beam printers, in which the materials are used as an amorphous form. For developing organic photovoltaics using the photoconductor’s technology, preparation of a single crystal seems to be a specific way by realizing the high mobility of an organic semiconductor. In this study, a single crystal of 4-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)-benzenamine (TPA) was prepared and its anisotropic hole-transport property measured. First, the hole-transport property of the TPA was investigated based on its chemical structure and electrochemical redox characteristics. Next, a large-scale single crystal formation at a high rate was developed by employing a solution method based on its solubility and supersolubility curves. The grown TPA was found to be a single crystal based on the polarization micrograph observation and crystallographic analysis. For the TPA single crystal, an anisotropic surface conduction was found, which was well explained by its molecular stack structure. The measured current in the long-axis direction is one order of magnitude greater than that of amorphous TPA.

  18. 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...

  19. Adsorbates on cobalt and platinum single crystal surfaces studied by STM

    Energy Technology Data Exchange (ETDEWEB)

    Venvik, Hilde Johnsen

    1998-12-31

    This thesis on surface physics may contribute to the understanding of catalysts and so be of interest to companies working on oil and natural gas refining. The thesis deals with room temperature experimental investigations of adsorbates of CO and C{sub 2}H{sub 4} gases on Co and Pt single crystal surfaces. 252 refs., 51 figs., 1 table

  20. Near surface mechanical properties of optical single crystals and surface response to deterministic microgrinding

    Science.gov (United States)

    Randi, Joseph A., III

    2005-12-01

    This thesis makes use of microindentation, nanoindentation and nanoscratching methods to better understand the mechanical properties of single crystalline silicon, calcium fluoride, and magnesium fluoride. These properties are measured and are used to predict the material's response to material removal, specifically by grinding and polishing, which is a combination of elastic, plastic and fracture processes. The hardness anisotropy during Knoop microindentation, hardness from nanoindentation, and scratch morphology from nanoscratching are reported. This information is related to the surface microroughness from grinding. We show that mechanical property relationships that predict the surface roughness from lapping and deterministic microgrinding of optical glasses are applicable to single crystals. We show the range of hardness from some of the more common crystallographic faces. Magnesium fluoride, having a tetragonal structure, has 2-fold hardness anisotropy. Nanoindentation, as expected provides higher hardness than microindentation, but anisotropy is not observed. Nanoscratching provides the scratch profile during loading, after the load has been removed, and the coefficient of friction during the loading. Ductile and brittle mode scratching is present with brittle mode cracking being orientation specific. Subsurface damage (SSD) measurements are made using a novel process known as the MRF technique. Magnetorheological finishing is used to polish spots into the ground surface where SSD can be viewed. SSD is measured using an optical microscope and knowledge of the spot profile. This technique is calibrated with a previous technique and implemented to accurately measure SSD in single crystals. The data collected are compared to the surface microroughness of the ground surface, resulting in an upper bound relationship. The results indicate that SSD is always less than 1.4 times the peak-to-valley surface microroughness for single crystals regardless of the

  1. Phase diagrams of two dimensional Pd{sub x}Ag{sub 1-x}/Pd(111) and Pt{sub x}Ag{sub 1-x}/Pt(111) surface alloys

    Energy Technology Data Exchange (ETDEWEB)

    Engstfeld, Albert K.; Roetter, Ralf T.; Bergbreiter, Andreas; Hoster, Harry E.; Behm, R. Juergen [Institute of Surface Chemistry and Catalysis, Ulm University (Germany)

    2011-07-01

    The distribution of Ag and Pd or Pt in Ag{sub x}Pd{sub 1-x}/Pd(111) and Ag{sub x}Pt{sub 1-x}/Pt(111) surface alloys was studied by high resolution UHV-STM. The alloys were prepared by evaporating Ag on the respective substrate and subsequent annealing to 800 K. From quantitative 2D atom distributions we can show that AgPt tends towards two dimensional clustering and AgPd towards a 'quasi' random distribution, with small deviations for low and high coverages. From effective pair interactions, we are able to calculate the surface mixing energy and determine 2D phase diagrams. Furthermore we will elucidate whether the size mismatch or the differences in the intermetallic bonding are the dominant factor for the respective distribution in the surface alloy.

  2. He/Ar-atom scattering from molecular monolayers: C{sub 60}/Pt(111) and graphene/Pt(111)

    Energy Technology Data Exchange (ETDEWEB)

    Yamada, Y; Sugawara, C; Satake, Y; Yokoyama, Y; Okada, R; Nakayama, T; Sasaki, M [Institute of Applied Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki (Japan); Kondo, T; Oh, J; Nakamura, J [Institute of Material Science, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki (Japan); Hayes, W W [Department of Physics and Astronomy, Clemson University, Clemson, SC 29634 (United States)

    2010-08-04

    Supersonic He and Ar atomic beam scattering from C{sub 60} and graphene monolayers adsorbed on a Pt(111) surface are demonstrated in order to obtain detailed insight into a gas-molecule collision that has not been studied in detail so far. The effective masses and phonon spectral densities of the monolayers seen by different projectiles are discussed based on classical models such as the hard cube model and the recently developed smooth surface model. Large effective masses are deduced for both the monolayers, suggesting collective effects of surface atoms in the single collision event. The effective Debye temperature of graphene was found to be similar to that reported in highly oriented pyrolytic graphite (HOPG), indicating that the graphene is decoupled well from the Pt substrate. A much smaller Debye-Waller factor was found for the C{sub 60} layer, probably reflecting the strong C{sub 60}-Pt(111) interaction.

  3. Anisotropy effect of crater formation on single crystal silicon surface under intense pulsed ion beam irradiation

    Science.gov (United States)

    Shen, Jie; Yu, Xiao; Zhang, Jie; Zhong, Haowen; Cui, Xiaojun; Liang, Guoying; Yu, Xiang; Huang, Wanying; Shahid, Ijaz; Zhang, Xiaofu; Yan, Sha; Le, Xiaoyun

    2018-04-01

    Due to the induced extremely fast thermal and dynamic process, Intense Pulsed Ion Beam (IPIB) is widely applied in material processing, which can bring enhanced material performance and surface craters as well. To investigate the craters' formation mechanism, a specific model was built with Finite Element Methods (FEM) to simulate the thermal field on irradiated single crystal silicon. The direct evidence for the existence of the simulated 6-fold rotational symmetric thermal distribution was provided by electron microscope images obtained on single crystal silicon. The correlation of the experiment and simulation is of great importance to understand the interaction between IPIB and materials.

  4. Surface relief grating formation on a single crystal of 4-(dimethylamino)azobenzene

    International Nuclear Information System (INIS)

    Nakano, Hideyuki; Tanino, Takahiro; Shirota, Yasuhiko

    2005-01-01

    Surface relief grating (SRG) formation on an organic single crystal by irradiation with two coherent laser beams has been demonstrated by using 4-(dimethylamino)azobenzene (DAAB). It was found that the SRG formation was greatly depending upon both the coordination of the crystal and the polarization of the writing beams. The dependence of the polarization of writing beams on the SRG formation using the single crystal was found to be quite different from that reported for amorphous polymers and photochromic amorphous molecular materials, suggesting that the mechanism of the SRG formation on the organic crystal is somewhat different from that on amorphous materials

  5. Growth of binary solid solution single crystals and calculation of melt surface displacement velocity

    International Nuclear Information System (INIS)

    Agamaliyev, Z.A.; Tahirov, V.I.; Hasanov, Z.Y.; Quliyev, A.F.

    2007-01-01

    A binary solid solution single crystal growth method has been worked out. Cylinder feeding alloy with complex content distribution and truncated cone crucible are used. Second component distribution coefficient is more than unit. Content distribution along grown crystal is found by solving continuity equation. After reaching dynamic equilibrium state second component concentration in grown crystal is saturated the value of which is less than the average ona in the feeding alloy. Using the method Ge-Si perfect single crystals has been grown. Calculation method of melt surface displacement velocity has been offered as well

  6. Electrochemistry of Hemin on Single-Crystal Au(111)-electrode Surfaces

    DEFF Research Database (Denmark)

    Zhang, Ling; Ulstrup, Jens; Zhang, Jingdong

    adsorption on well-defined single-crystal Au(111)-electrode surfaces using electrochemistry combined with scanning tunnelling microscopy under electrochemical control. Hemin gives two voltammetric peaks assigned to adsorbed monomers and dimmers (Fig. 1B). In situ STM shows that hemin self...

  7. Studies of isotopic defined hydrogen beams scattering from Pd single-crystal surfaces

    International Nuclear Information System (INIS)

    Varlam, Mihai; Steflea, Dumitru

    2001-01-01

    An experimental investigation of hydrogen isotopes interaction with Pd single-crystal surface has been carried out using molecular beam technique. The energy dependence of the sticking probability and its relation with the trapping probability into the precursor state is studied by integrating the scattered angular distribution of hydrogen Isotopic defined beams from Pd (111) surface in the 40-400 K surface temperature range. The dependence has been evaluated by defining hydrogen molecular beams with different isotopic concentration - from the natural one to the 5% D/(D+H) ratio - and for different incident energies. The beam was directed onto a single-crystal Pd (111) surface. In the paper, we report the experimental results and some considerations related to it. (authors)

  8. Studies of isotopic defined hydrogen beams scattering from Pd single-crystal surfaces

    International Nuclear Information System (INIS)

    Varlam, Mihai; Steflea, Dumitru

    1999-01-01

    An experimental investigation of hydrogen isotopes interaction with Pd single-crystal surfaces has been carried out using molecular beam technique. The energy dependence of the sticking probability and its relation with the trapping probability into the precursor state is studied by integrating the scattered angular distribution of hydrogen isotopic defined beams from Pd (111) surfaces in the 40 - 400 K surface temperature range. The dependence has been evaluated by defining hydrogen molecular beams with different isotopic concentration - from the natural one until 5% D/(D + H) and different incident energies and directed onto a single - crystal Pd (111) surface. In the paper, we report the experimental results and some considerations related to them. (authors)

  9. The structure of ultrathin iron films on tungsten single-crystal surfaces

    International Nuclear Information System (INIS)

    Gardiner, T.M.

    1983-01-01

    Ultrathin iron films vapour deposited onto the surface of a cylindrical tungsten single crystal are discussed. Results from work function change, Auger electron spectroscopic and low energy electron diffraction techniques are combined for a comparison of the initial stages of film growth on four low index planes. Advantage is taken of the opportunity to evaporate onto and simultaneously to make measurements on all surface orientations of the zone. (Auth.)

  10. Surface conductivity of the single crystal aluminum oxide in vacuum and caesium vapors

    International Nuclear Information System (INIS)

    Vasilchenko, A.V.; Izhvanov, O.L.

    1996-01-01

    Results of measurements of surface conductivity of single-crystal aluminum oxide samples in vacuum and cesium vapors at T=620 endash 830 K and P Cs =0.13 endash 2 Pa are shown in the paper. Analysis of caesium vapor influence is carried out and ultimate characteristics of samples conductivity under operation conditions in thermionic nuclear power system (NPP) TFE are estimated. copyright 1996 American Institute of Physics

  11. Correlating Structure and Oxygen Reduction Activity on Y/Pt(111) and Gd/Pt(111) Single Crystals

    DEFF Research Database (Denmark)

    Ulrikkeholm, Elisabeth Therese; Pedersen, Anders Filsøe; Johansson, Tobias Peter

    2015-01-01

    Polymer Electrolyte Membrane Fuel Cells (PEMFC) hold promise as a zero-emission source of power, particularly suitable for automotive vehicles. However, the high loading of Pt required to catalyse the Oxygen Reduction Reaction (ORR) at the PEMFC cathode prevents the commercialisation of this tech......Polymer Electrolyte Membrane Fuel Cells (PEMFC) hold promise as a zero-emission source of power, particularly suitable for automotive vehicles. However, the high loading of Pt required to catalyse the Oxygen Reduction Reaction (ORR) at the PEMFC cathode prevents the commercialisation...... of this technology. Improving the activity of Pt by alloying it with other metals could decrease the loading of Pt at the cathode to a level comparable to Pt-group metal loading in internal combustion engines. PtxY and PtxGd exhibit exceptionally high activity for oxygen reduction, both in the polycrystalline form...

  12. Surface structure modification of single crystal graphite after slow, highly charged ion irradiation

    Science.gov (United States)

    Alzaher, I.; Akcöltekin, S.; Ban-d'Etat, B.; Manil, B.; Dey, K. R.; Been, T.; Boduch, P.; Rothard, H.; Schleberger, M.; Lebius, H.

    2018-04-01

    Single crystal graphite was irradiated by slow, highly charged ions. The modification of the surface structure was studied by means of Low-Energy Electron Diffraction. The observed damage cross section increases with the potential energy, i.e. the charge state of the incident ion, at a constant kinetic energy. The potential energy is more efficient for the damage production than the kinetic energy by more than a factor of twenty. Comparison with earlier results hints to a strong link between early electron creation and later target atom rearrangement. With increasing ion fluence, the initially large-scale single crystal is first transformed into μ m-sized crystals, before complete amorphisation takes place.

  13. Rapid, green synthesis and surface-enhanced Raman scattering effect of single-crystal silver nanocubes

    Science.gov (United States)

    Mao, Aiqin; Jin, Xia; Gu, Xiaolong; Wei, Xiaoqing; Yang, Guojing

    2012-08-01

    Single-crystal silver (Ag) nanocubes have been synthesized by a rapid and green method at room temperature by adding sodium hydroxide solution to the mixed solutions of silver nitrate, glucose and polyvinylpyrrolidone (PVP). The X-ray diffraction (XRD), ultraviolet-visible (UV-visible) and transmission electron microscopy (TEM) were used to characterize the phase composition and morphology. The results showed that the as-prepared particles were single-crystal Ag nanocubes with edge lengths of around 77 nm and a growing direction along {1 0 0} facets. As substrates for surface-enhanced Raman scattering (SERS) experiment on crystal violet (CV), the SERS enhancement factor of the as-prepared Ag nanocubes were measured to be 5.5 × 104, indicating potential applications in chemical and biological analysis.

  14. Creation of oxygen-enriched layers at the surface of GaAs single crystal

    International Nuclear Information System (INIS)

    Kulik, M.; Maczka, D.; Kobzev, A.P.

    1999-01-01

    The optical properties and the element depth profiles at the (100) plane high resistant and noncomposite GaAs single crystals implanted with In ions were investigated. The results have been compared with those obtained for virgin samples. The optic properties for all of the samples (implanted and not implanted, annealed and not annealed) have been measured using the ellipsometric method. The element depth profiles for the same samples have been obtained by the RBS and NRA techniques. It has been shown that the post-implantation annealing at a temperature more than 600 deg C leads to a ten time increase in contents of oxygen atoms in the implanted layer with respect to the not annealed sample. The thickness of the transparence layer at the surface of GaAs single crystal increases also after implantation with In ions and subsequent annealing

  15. Effect of physicochemical factors on the microplasticity of the surface layer of molybdenum single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Savenko, V.I.; Kuchumova, V.M.; Kochanova, L.A.; Shchukin, E.D.

    1984-07-01

    The microplastic properties of the surface layer of molybdenum single crystals produced by electron-beam zone melting have been investigated experimentaly using ultramicrosclerometry and microindentation techniques. It is found that the 111 plane has the highest susceptibility to plastic damage, while the 100 plane is the hardest. An analysis of the stressed state of the material under an indenter shows that the dislocation density along the loading paths, which characterizes the microplasticity of the material, is largely determined by the crystallography of the lattice, i.e., by the arrangement and the number of effective slip systems in specimens of different orientations. The effect of a monolayer octadecylamine film on the microplastic behavior of molybdenum single crystals is discussed.

  16. Scattering of atomic and molecular ions from single crystal surfaces of Cu, Ag and Fe

    International Nuclear Information System (INIS)

    Zoest, J.M. van.

    1986-01-01

    This thesis deals with analysis of crystal surfaces of Cu, Ag and Fe with Low Energy Ion scattering Spectroscopy (LEIS). Different atomic and molecular ions with fixed energies below 7 keV are scattered by a metal single crystal (with adsorbates). The energy and direction of the scattered particles are analysed for different selected charge states. In that way information can be obtained concerning the composition and atomic and electronic structure of the single crystal surface. Energy spectra contain information on the composition of the surface, while structural atomic information is obtained by direction measurements (photograms). In Ch.1 a description is given of the experimental equipment, in Ch.2 a characterization of the LEIS method. Ch.3 deals with the neutralization of keV-ions in surface scattering. Two different ways of data interpretation are presented. First a model is treated in which the observed directional dependence of neutralization action of the first atom layer of the surface is presented by a laterally varying thickness of the neutralizing layer. Secondly it is shown that the data can be reproduced by a more realistic, physical model based on atomic transition matrix elements. In Ch.4 the low energy hydrogen scattering is described. The study of the dissociation of H 2 + at an Ag surface r0230ted in a model based on electronic dissociation, initialized by electron capture into a repulsive (molecular) state. In Ch.5 finally the method is applied to the investigation of the surface structure of oxidized Fe. (Auth.)

  17. Perturbed angular correlation study of surface magnetization in iron single crystals

    International Nuclear Information System (INIS)

    Sawicka, B.D.; Sawicki, J.A.; Pleiter, F.; Waard, H. de

    1983-01-01

    The behaviour of closure domains at the surface of iron single crystals in an external magnetic field was studied by DPAC on samples implanted with 111 In. It is observed that the surface magnetization does not follow that of the bulk. The movement of both the 90 0 and 180 0 walls of the closure domains is blocked up to a certain 'starting' value of the external field that is related to the demagnetization factor of the sample and also depends on the precise orientation of the crystal axes and on the implanted indium dose. (Auth.)

  18. Proportion quantitative analysis and etching of {110} planes on tungsten single crystal coating surface

    Energy Technology Data Exchange (ETDEWEB)

    Mu, Rende, E-mail: dallasbiam@163.com [Beijing Institute of Aeronautical Materials, Aviation Key Laboratory of Science and Technology on Advanced Corrosion and Protection for Aviation Material, Department 5, P.O. Box 81-5, Beijing 100095 (China); Tan, Chengwen; Yu, Xiaodong [School of Material Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China)

    2016-05-05

    Tungsten single crystal and poly crystal were treated by electrolytic etching in a 3% by weight solution of NaOH in distilled water. The method for determining the proportion of {110} planes and characteristic morphology on the coating surface after electrolytic etching were investigated using EBSD and auto-focusing microscope. Then the optimization of process parameters for electrolytic etching is achieved. In order to compare the effect of process parameters, three process parameters were selected for the tungsten single crystal electrolytic etching. Through analyzing the change of {110} planes' proportion, we found that when the coatings are etched with 1.4 amp/cm{sup 2} and 3 min, {110} planes can be exposed in the greatest degree that can reach 61.4% on tubular surfaces. The proposed approach greatly improves the proportion of {110} planes relative to the original surface. - Highlights: • Tungsten single/poly crystals treated by electrolytic etching in solution of NaOH. • The {110} planes have the lower surface free energy than {112}. • Some {112} planes etched firstly, the {110} planes exposed at last during etching. • {110} planes exposed to the greatest extent with 1.4 amp/cm{sup 2} and 3 min.

  19. Bonding xenon and krypton on the surface of uranium dioxide single crystal

    Directory of Open Access Journals (Sweden)

    Dąbrowski Ludwik

    2014-08-01

    Full Text Available We present density functional theory (DFT calculation results of krypton and xenon atoms interaction on the surface of uranium dioxide single crystal. A pseudo-potential approach in the generalised gradient approximation (GGA was applied using the ABINIT program package. To compute the unit cell parameters, the 25 atom super-cell was chosen. It has been revealed that close to the surface of a potential well is formed for xenon and krypton atom due to its interaction with the atoms of oxygen and uranium. Depth and shape of the well is the subject of ab initio calculations in adiabatic approximation. The calculations were performed both for the case of oxygenic and metallic surfaces. It has been shown that the potential well for the oxygenic surface is deeper than for the metallic surface. The thermal stability of immobilising the atoms of krypton and xenon in the potential wells were evaluated. The results are shown in graphs.

  20. Temperature Dependent Surface Structures and Electronic Properties of Organic-Inorganic Hybrid Perovskite Single Crystals

    Science.gov (United States)

    Jao, M.-H.; Teague, M. L.; Huang, J.-S.; Tseng, W.-S.; Yeh, N.-C.

    Organic-inorganic hybrid perovskites, arising from research of low-cost high performance photovoltaics, have become promising materials not only for solar cells but also for various optoelectronic and spintronic applications. An interesting aspect of the hybrid perovskites is that their material properties, such as the band gap, can be easily tuned by varying the composition, temperature, and the crystalline phases. Additionally, the surface structure is critically important for their optoelectronic applications. It is speculated that different crystalline facets could show different trap densities, thus resulting in microscopically inhomogeneous performance. Here we report direct studies of the surface structures and electronic properties of hybrid perovskite CH3NH3PbI3 single crystals by scanning tunneling microscopy and spectroscopy (STM/STS). We found long-range spatially homogeneous tunneling conductance spectra with a well-defined energy gap of (1.55 +/- 0.1) eV at 300 K in the tetragonal phase, suggesting high quality of the single crystals. The energy gap increased to (1.81 +/- 0.1) eV in the orthorhombic phase, below the tetragonal-to-orthorhombic phase transition temperature at 150 K. Detailed studies of the temperature evolution in the spatially resolved surface structures and local density of states will be discussed to elucidate how these properties may influence the optoelectronic performance of the hybrid perovskites. We thank the support from NTU in Taiwan and from NSF in the US.

  1. Experimental study of micro-milling mechanism and surface quality of a nickel-based single crystal superalloy

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Qi; Gong, Yadong; Zhou, Yun Guang; Wen, Xue Long [School of Mechanical Engineering and Automation, Northeastern University, Shenyang (China)

    2017-01-15

    Micro-milling is widely used as a method for machining of micro-parts with high precision and efficiency. Taking the nickel-based single-crystal superalloy DD98 as the research object, the crystal characteristics of single-crystal materials were analysed, and the removal mechanism of single-crystal micro-milled parts was described. Based on molecular dynamics, a simulation model for nickel-based single-crystal superalloy DD98 micro-milling was established. Based on the response surface method of central composite design, the influences of spindle speed, feed rate, and milling depth on the surface roughness were examined, and a second-order regression model of the DD98 surface roughness was established. Using analysis of variance and the residuals of the model, a significant influence on surface roughness was found in the following order from large to small: Feed rate, spindle speed, and milling depth. Comparisons were conducted between the micro-milling experimental values and the predicted model values for different process parameters. The results show that the model fit is relatively high, and the adaptability is good. Scanning electron microscopy analysis of the micro-milling surfaces was performed to verify the slip and the removal mechanism of single-crystal materials. These results offer a theoretical reference and experimental basis for micro-milling of single-crystal materials.

  2. single crystals

    Indian Academy of Sciences (India)

    2018-05-18

    May 18, 2018 ... Abstract. 4-Nitrobenzoic acid (4-NBA) single crystals were studied for their linear and nonlinear optical ... studies on the proper growth, linear and nonlinear optical ..... between the optic axes and optic sign of the biaxial crystal.

  3. The effect of incidence angle on ion bombardment induced surface topography development on single crystal copper

    International Nuclear Information System (INIS)

    Carter, G.; Nobes, M.J.; Lewis, G.W.; Whitton, J.L.

    1982-01-01

    The fluence dependence of development of microscopic surface features, particularly etch pits, during 9 keV Ar + ion bombardment of (11,3,1) oriented Cu single crystals has been studied employing quasi-dynamic irradiation and observation techniques in a scanning electron microscope-accelerator system. 9 keV ions are observed not to produce crystallographic pyramids under all irradiation conditions for this surface, a very different result from our earlier studies with higher energy ions. The bombardment does elaborate etch pits however, the habits and growth kinetics of which depend upon both polar and azimuthal angles of ion incidence to the surface. The results are explained in terms of differential erosion of crystal planes modified by the presence of pre-existing and irradiation induces extended defects. (orig.)

  4. In-situ Studies of the Reactions of Bifunctional and Heterocyclic Molecules over Noble Metal Single Crystal and Nanoparticle Catalysts Studied with Kinetics and Sum-Frequency Generation Vibrational Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kliewer, Christopher J. [Univ. of California, Berkeley, CA (United States)

    2009-06-30

    Sum frequency generation surface vibrational spectroscopy (SFG-VS) in combination with gas chromatography (GC) was used in-situ to monitor surface bound reaction intermediates and reaction selectivities for the hydrogenation reactions of pyrrole, furan, pyridine, acrolein, crotonaldehyde, and prenal over Pt(111), Pt(100), Rh(111), and platinum nanoparticles under Torr reactant pressures and temperatures of 300K to 450K. The focus of this work is the correlation between the SFG-VS observed surface bound reaction intermediates and adsorption modes with the reaction selectivity, and how this is affected by catalyst structure and temperature. Pyrrole hydrogenation was investigated over Pt(111) and Rh(111) single crystals at Torr pressures. It was found that pyrrole adsorbs to Pt(111) perpendicularly by cleaving the N-H bond and binding through the nitrogen. However, over Rh(111) pyrrole adsorbs in a tilted geometry binding through the {pi}-aromatic orbitals. A surface-bound pyrroline reaction intermediate was detected over both surfaces with SFG-VS. It was found that the ring-cracking product butylamine is a reaction poison over both surfaces studied. Furan hydrogenation was studied over Pt(111), Pt(100), 10 nm cubic platinum nanoparticles and 1 nm platinum nanoparticles. The product distribution was observed to be highly structure sensitive and the acquired SFG-VS spectra reflected this sensitivity. Pt(100) exhibited more ring-cracking to form butanol than Pt(111), while the nanoparticles yielded higher selectivities for the partially saturated ring dihydrofuran. Pyridine hydrogenation was investigated over Pt(111) and Pt(100). The α-pyridyl surface adsorption mode was observed with SFG-VS over both surfaces. 1,4-dihydropyridine was seen as a surface intermediate over Pt(100) but not Pt(111). Upon heating the surfaces to 350K, the adsorbed pyridine changes to a flat-lying adsorption mode. No evidence was found for the pyridinium cation. The hydrogenation of the

  5. Hydrogenation of the alpha,beta-Unsaturated Aldehydes Acrolein, Crotonaldehyde, and Prenal over Pt Single Crystals: A Kinetic and Sum-Frequency Generation Vibrational Spectroscopy Study

    Energy Technology Data Exchange (ETDEWEB)

    Kliewer, C.J.; Somorjai, G.A.

    2008-11-26

    Sum-frequency generation vibrational spectroscopy (SFG-VS) and kinetic measurements using gas chromatography have been used to study the surface reaction intermediates during the hydrogenation of three {alpha},{beta}-unsaturated aldehydes, acrolein, crotonaldehyde, and prenal, over Pt(111) at Torr pressures (1 Torr aldehyde, 100 Torr hydrogen) in the temperature range of 295K to 415K. SFG-VS data showed that acrolein has mixed adsorption species of {eta}{sub 2}-di-{sigma}(CC)-trans, {eta}{sub 2}-di-{sigma}(CC)-cis as well as highly coordinated {eta}{sub 3} or {eta}{sub 4} species. Crotonaldehyde adsorbed to Pt(111) as {eta}{sub 2} surface intermediates. SFG-VS during prenal hydrogenation also suggested the presence of the {eta}{sub 2} adsorption species, and became more highly coordinated as the temperature was raised to 415K, in agreement with its enhanced C=O hydrogenation. The effect of catalyst surface structure was clarified by carrying out the hydrogenation of crotonaldehyde over both Pt(111) and Pt(100) single crystals while acquiring the SFG-VS spectra in situ. Both the kinetics and SFG-VS showed little structure sensitivity. Pt(100) generated more decarbonylation 'cracking' product while Pt(111) had a higher selectivity for the formation of the desired unsaturated alcohol, crotylalcohol.

  6. Spectroscopic studies of organometallic compounds on single crystal metal surfaces: Surface acetylides of silver (110)

    Science.gov (United States)

    Madix, Robert J.

    The nature of compounds formed by the reaction of organic molecules with metal surfaces can be studied with a battery of analytical methods based on both physicals and chemical understanding. In this paper the application of UPS, XPS, LEED and EELS as well as temperature programmed reaction spectroscopy (TPRS) and chemical titration methods to the characterization of surface complexes is discussed. Particular emphasis is given to the reaction of acetylene with a single crystal surface of silver, Ag(110). Previous work has shown that this surface, when clean, is unreactive to hydrocarbons, alcohols and carboxylic acids under ultra high vacuum conditions. Preadsorption of oxygen, however, renders the surface reactive, and a wide variety of organometallic surface compounds can be formed. As expected then, no stable adsorption state and no reaction was observed with clean Ag(110) following room temperature exposure to acetylene. Following exposure at 150 K, however, a weekly bound chemisorption state was observed to desorb at 195 K, indicating a binding energy to the surface of approximately 12 kcal/gmole. Reaction with preadsorbed oxygen gave water formulation upon dosing and produced surface intermediates which yeilded two acetylene desorption states at 195 and 175 K. Heating above 300 K to completely desorb the higher temperature state produced new, well-defined LEED Features due to residual surface carbon which disappeared when the surface was heated above 550 K. Clearly, there were distinc changes in the nature of the absorbed layer at 195, 300 and 550 K. These changes were reflected in XPS. For the weakly chemisorbed acetylene a large C(ls) peak at 285.6 eV with a small, broad, indistinc shoulder at higher binding energy (288.2) was observed. The spectrum of the species following acetylene desorption at 275 K, however, showed the formulation of a large C(ls) peak at 283.6 eV in addition to peaks characteristics of the weakly chemisorbed state. This result

  7. CCl 4 chemistry on the magnetite selvedge of single-crystal hematite: competitive surface reactions

    Science.gov (United States)

    Adib, K.; Camillone, N., III; Fitts, J. P.; Rim, K. T.; Flynn, G. W.; Joyce, S. A.; Osgood, R. M., Jr.

    2002-01-01

    Temperature programmed reaction/desorption (TPR/D) studies were undertaken to characterize the surface chemistry which occurs between CCl 4 and the Fe 3O 4 (1 1 1) selvedge of single crystal α-Fe 2O 3 (0 0 0 1). Six separate desorption events are clearly observed and four desorbing species are identified: CCl 4, OCCl 2, C 2Cl 4 and FeCl 2. It is proposed that OCCl 2, CCl 4 and C 2Cl 4 are produced in reactions involving the same precursor, CCl 2. Three reaction paths compete for the CCl 2 precursor: oxygen atom abstraction (for OCCl 2), molecular recombinative desorption (for CCl 4) and associative desorption (for C 2Cl 4). During the TPR/D temperature ramp, the branching ratio is observed to depend upon temperature and the availability of reactive sites. The data are consistent with a rich site-dependent chemistry.

  8. Electronic properties of dislocations introduced mechanically at room temperature on a single crystal silicon surface

    International Nuclear Information System (INIS)

    Ogawa, Masatoshi; Kamiya, Shoji; Izumi, Hayato; Tokuda, Yutaka

    2012-01-01

    This paper focuses on the effects of temperature and environment on the electronic properties of dislocations in n-type single crystal silicon near the surface. Deep level transient spectroscopy (DLTS) analyses were carried out with Schottky electrodes and p + -n junctions. The trap level, originally found at E C -0.50 eV (as commonly reported), shifted to a shallower level at E C -0.23 eV after a heat treatment at 350 K in an inert environment. The same heat treatment in lab air, however, did not cause any shift. The trap level shifted by the heat treatment in an inert environment was found to revert back to the original level when the specimens were exposed to lab air again. Therefore, the intrinsic trap level is expected to occur at E C -0.23 eV and shift sensitively with gas adsorption in air.

  9. Study of clean and ion bombardment damaged silver single crystal surfaces by work function measurements

    International Nuclear Information System (INIS)

    Chelvayohan, N.

    1982-06-01

    Work function values of the (110), (100) and (111) faces of silver single crystal were measured by the photoelectric emission method and found to be 4.14 +- 0.04 eV, 4.22 +-0.04 eV and 4.46 +- 0.02 eV respectively. Oxygen adsorption on the faces were studied by surface potential measurement. Strong oxygen adsorption was observed on (110) and (100) faces, whereas the (111) face was found to be inert for oxygen adsorption. Oxygen adsorption on the (111) face damaged by argon ion bombardment was also investigated. The above results were compared with those of early reported work function and oxygen adsorption values. (U.K.)

  10. Experimental and numerical study of the high-temperature structure of copper single crystal surfaces

    International Nuclear Information System (INIS)

    Loisel, Bertrand

    1989-01-01

    The structure of copper single crystal surfaces has been investigated on an atomic scale using two complementary tools: helium beam diffraction experiments and computer simulations by molecular dynamics. In the case of stepped surfaces, the roughening transition occurs at low temperature. Our helium beam diffraction experiments in the range 70-1000 K reveal this transition at 650±50 K and 150±50 K respectively on the (331) and (310) surfaces. We emphasize the role of the terrace and step structure on the thermal roughness, which is ruled by microscopic energies related to the creation and interaction of defects on the step edges. Adsorbing oxygen on a rough (310) surface gives rise to ordered superstructures. In our computer simulations, the interatomic forces are derived from an empiric N-body potential which leads to a realistic description of the static and dynamical properties of the bulk metal and its surfaces. We analyze the results of high-temperature simulations on the (110) surface. Two types of disorder are distinguished: the creation of adatom-vacancy pairs and the enhancement of the vibrational amplitudes of the atoms near their equilibrium site. We establish that both phenomena take place in the same temperature range. These simulations also indicate the very anisotropic behaviour of the surface at high temperatures (> 1000 K). (author) [fr

  11. Surface structure determinations of crystalline ionic thin films grown on transition metal single crystal surfaces by low energy electron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, Joel Glenn [Univ. of California, Berkeley, CA (United States)

    2000-05-01

    The surface structures of NaCl(100), LiF(100) and alpha-MgCl2(0001) adsorbed on various metal single crystals have been determined by low energy electron diffraction (LEED). Thin films of these salts were grown on metal substrates by exposing the heated metal surface to a molecular flux of salt emitted from a Knudsen cell. This method of investigating thin films of insulators (ionic salts) on a conducting substrate (metal) circumvents surface charging problems that plagued bulk studies, thereby allowing the use of electron-based techniques to characterize the surface.

  12. Molecular-level chemistry of model single-crystal oxide surfaces with model halogenated compounds

    Science.gov (United States)

    Adib, Kaveh

    Synchrotron-based X-ray photoelectron spectroscopy (XPS), temperature-programmed desorption (TPD) and low energy electron diffraction (LEED) have been used to investigate, at a molecular level, the chemistry of different terminations of single crystal iron-oxide surfaces with probe molecules (CCl4 and D2O). Comparisons of the reactivity of these surfaces towards CCl4, indicate that the presence of an uncapped surface Fe cation (strong Lewis acid site) and an adjacent oxygen site capped by that cation can effect the C-Cl bond cleavage in CCl4, resulting in dissociatively adsorbed Cl-adatoms and carbon-containing fragments. If in addition to these sites, an uncapped surface oxygen (Lewis base) site is also available, the carbon-containing moiety can then move that site, coordinate itself with that uncapped oxygen, and stabilize itself. At a later step, the carbon-containing fragment may form a strong covalent bond with the uncapped oxygen and may even abstract that surface oxygen. On the other hand, if an uncapped oxygen is not available to stabilize the carbon-containing fragment, the surface coordination will not occur and upon the subsequent thermal annealing of the surface the Cl-adatoms and the carbon-containing fragments will recombine and desorb as CCl4. Finally, the presence of surface deuteroxyls blocking the strong Lewis acid and base sites of the reactive surface, passivates this surface. Such a deuteroxylated surface will be unreactive towards CCl 4. Such a molecular level understanding of the surface chemistry of metal-oxides will have applications in the areas of selective catalysis, including environmental catalysis, and chemical sensor technology.

  13. Surface termination dependence of the reactivity of single crystal hematite with CCl 4

    Science.gov (United States)

    Camillone, Nicholas, III; Adib, Kaveh; Fitts, Jeffrey P.; Rim, Kwang T.; Flynn, George W.; Joyce, S. A.; Osgood, Richard M.

    2002-06-01

    We describe ultrahigh vacuum Auger electron spectrometric measurements of the uptake of chlorine following the room temperature exposure of single crystal hematite, α-Fe2O3, to CCl4. We compare the surface chemistry of two specific surface phases formed on the basal plane of α-Fe2O3: the Fe3O4(1 1 1)-(2×2) ;selvedge; and the α-Fe2O3/Fe1-xO ;biphase.; For Fe3O4(1 1 1)-(2×2) an estimated saturation level of Cl of ∼75% of a monolayer is readily attained. Carbon uptake is well below that expected for simple stoichiometric dissociative chemisorption, consistent with desorption of organic products during the surface reaction. Low energy electron diffraction measurements suggest that, dependent upon preparation procedures, at least two types of α-Fe2O3/Fe1-xO biphase structures can be formed. Surprisingly, upon exposure to CCl4, Cl uptake does not occur on either of these biphase surfaces, despite the fact that these surfaces are thought to have the same surface concentrations of iron and oxygen as Fe3O4(1 1 1). The dramatic difference between the reactivity of the Fe3O4 and biphase surfaces suggests that the active site for the dissociative adsorption of CCl4 on Fe3O4(1 1 1)-(2×2) comprises both an iron cation and an oxygen anion with a surface-normal-oriented dangling bond that is uncapped by iron cations. Electron stimulated and thermal desorption of Cl from the saturated Fe3O4(1 1 1)-(2×2) selvedge is also reported.

  14. Growth, structural, optical and surface analysis of piperazinium tartrate: A NLO single crystal

    Science.gov (United States)

    Gupta, Apurva; Raseel Rahman M., K.; Nair, Lekha

    2018-05-01

    Single crystal of piperazinium tartrate (PPZT) was grown by the slow evaporation solution growth technique at room temperature. Crystallinity of grown crystal was examined by powder X-ray diffraction. High transparency and wide band gap were observed in the UV-Visible spectroscopic studies. Intense and broad emissions were observed in the blue region, as that is indicated by photoluminescence spectroscopy. The quality of the grown PPZT single crystals were analyzed by the etching studies using the water as the etchant.

  15. Large magnetoresistance and Fermi surface study of Sb2Se2Te single crystal

    Science.gov (United States)

    Shrestha, K.; Marinova, V.; Graf, D.; Lorenz, B.; Chu, C. W.

    2017-09-01

    We have studied the magnetotransport properties of a Sb2Se2Te single crystal. Magnetoresistance (MR) is maximum when the magnetic field is perpendicular to the sample surface and reaches a value of 1100% at B = 31 T with no sign of saturation. MR shows Shubnikov de Haas (SdH) oscillations above B = 15 T. The frequency spectrum of SdH oscillations consists of three distinct peaks at α = 32 T, β = 80 T, and γ = 117 T indicating the presence of three Fermi surface pockets. Among these frequencies, β is the prominent peak in the frequency spectrum of SdH oscillations measured at different tilt angles of the sample with respect to the magnetic field. From the angle dependence β and Berry phase calculations, we have confirmed the trivial topology of the β-pocket. The cyclotron masses of charge carriers, obtained by using the Lifshitz-Kosevich formula, are found to be mβ*=0.16mo and m γ*=0.63 mo for the β and γ bands, respectively. The Large MR of Sb2Se2Te is suitable for utilization in electronic instruments such as computer hard discs, high field magnetic sensors, and memory devices.

  16. Studies of the kinetics and mechanisms of ammonia synthesis and hydrodesulfurization on metal single-crystal surfaces

    International Nuclear Information System (INIS)

    Gellman, A.J.; Asscher, M.; Somorjai, G.A.

    1985-01-01

    The authors studied the ammonia synthesis reaction over Fe and Re single crystal surfaces and the hydrodesulfurization of thiophene over the Mo(100) single crystal surface. The studies have been performed using UHV surface science tools with the capability of exposing the surfaces to high pressure, high temperature reaction conditions. The ammonia synthesis reaction was shown to be extremely sensitive to surface structure on both Fe and Re, favoring surfaces with a rough or open topography. The HDS reaction on the Mo(100) surface has been shown to be similar to that on MoS/sub 2/ and appears to proceed via a reaction path that does not produce a strong Mo-S bond as an intermediate species

  17. The role of crystal orientation and surface proximity in the self-similar behavior of deformed Cu single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Pang, Judy W.L., E-mail: pangj@ornl.gov [Materials Science and Technology Division, Oak Ridge National Laboratory, 1 Behtel Valley Road, Oak Ridge, TN 37831 (United States); Ice, Gene E. [Materials Science and Technology Division, Oak Ridge National Laboratory, 1 Behtel Valley Road, Oak Ridge, TN 37831 (United States); Liu Wenjun [Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States)

    2010-11-25

    We report on novel 3D spatially resolved X-ray diffraction microscopy studies of self-affine behavior in deformed single crystals. This study extends surface profile measurements of self-affined morphology changes in single crystals during deformation to include local lattice rotations and sub-surface behavior. Investigations were made on the spatial correlation of the local lattice rotations in 8% tensile deformed Cu single crystals oriented with [1 2 3], [1 1 1] and [0 0 1] axes parallel to the tensile axis. The nondestructive depth-resolved measurements were made over a length scale of one to hundreds of micrometers. Self-affined correlation was found both at the surface and below the surface of the samples. A universal exponent for the power-law similar to that observed with surface profile methods is found at the surface of all samples but crystallographically sensitive changes are observed as a function of depth. Correlation lengths of the self-affine behavior vary with the [1 2 3] crystal exhibiting the longest self-affine length scale of 70 {mu}m with only 18 {mu}m for the [1 1 1] and [0 0 1] crystals. These measurements illuminate the transition from surface-like to bulk-like deformation behavior and provide new quantitative information to guide emerging models of self-organized structures in plasticity.

  18. Investigations on the optical, thermal and surface modifications of electron irradiated L-threonine single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ramesh Kumar, G.; Gokul Raj, S. [Department of Physics, Presidency College, Chepauk, Chennai 600005 (India); Bogle, K.A.; Dhole, S.D.; Bhoraskar, V.N. [Department of Physics, University of Pune, Pune 411007 (India); Mohan, R. [Department of Physics, Presidency College, Chepauk, Chennai 600005 (India)], E-mail: professormohan@yahoo.co.in

    2008-06-15

    L-Threonine single crystals have been irradiated by 6 MeV electrons. Irradiated crystals at various electron fluences were subjected to various techniques such as UV-vis-NIR, atomic force microscopy (AFM) and thermomechanical analyses. Thermal strength of the irradiated crystals has also been studied through differential scanning calorimetry (DSC) measurements. The results have been discussed in detail.

  19. Surface structure of ultrathin metal films deposited on copper single crystals

    International Nuclear Information System (INIS)

    Butterfield, M.T.

    2000-04-01

    Ultrathin films of Cobalt, Iron and Manganese have been thermally evaporated onto an fcc Copper (111) single crystal substrate and investigated using a variety of surface structural techniques. The small lattice mismatch between these metals and the Cu (111) substrate make them an ideal candidate for the study of the phenomena of pseudomorphic film growth. This is important for the understanding of the close relationship between film structure and magnetic properties. Growing films with the structure of their substrate rather than their bulk phase may provide an opportunity to grow materials with novel physical and magnetic properties, and hence new technological applications. Both Cobalt and Iron have been found to initially maintain a registry with the fcc Cu (111) surface in a manner consistent with pseudomorphic growth. This growth is complicated by island rather than layer by layer growth in the initials stages of the film. In both cases a change in the structure of the film seems to occur at a point where the coalescence of islands in the film may be expected to occur. When the film does change structure they do not form a perfect overlayer with the structure of their bulk counterpart. The films do contain a number of features representative of the bulk phase but also contain considerable disorder and possibly remnants of fcc (111) structure. The order present in these films can be greatly improved by annealing. Manganese appears to grow with an fcc Mn (111) lattice spacing and there is no sign of a change in structure in films of up to 4.61 ML thick. The gradual deposition and annealing of a film to 300 deg. C, with a total deposition time the same as that for a 1 ML thick film, causes a surface reconstruction to occur that is apparent in a R30 deg. (√3 x √3) LEED pattern. This is attributed to the formation of a surface alloy, which is also supported by the local expansion of the Cu lattice in the (111) direction. (author)

  20. Cyclic voltammograms for H on Pt(111) and Pt(100) from first principles

    DEFF Research Database (Denmark)

    Karlberg, Gustav; Jaramillo, Thomas; Skulason, Egill

    2007-01-01

    Cyclic voltammetry is a fundamental experimental method for characterizing electrochemical surfaces. Despite its wide use, a way to quantitatively and directly relate cyclic voltammetry to ab initio calculations has been lacking. We derive the cyclic voltammogram for H on Pt(111) and Pt(100), bas...... solely on density functional theory calculations and standard molecular tables. By relating the gas phase adsorption energy to the electrochemical electrode potential, we provide a direct link between surface science and electrochemistry....

  1. Thermochemical micro imprinting of single-crystal diamond surface using a nickel mold under high-pressure conditions

    Energy Technology Data Exchange (ETDEWEB)

    Imoto, Yuji; Yan, Jiwang, E-mail: yan@mech.keio.ac.jp

    2017-05-15

    Graphical abstract: A Ni mold and thermochemically imprinted microstructures on diamond. - Highlights: • A thermochemical method for micro machining/patterning of diamond is proposed. • Various kinds of microstructures were imprinted on diamond using a Ni mold. • A graphite layer is formed during imprinting which can be removed by acid. • The processing depth depends strongly on pressure and temperature. - Abstract: Single-crystal diamond is an important material for cutting tools, micro electro mechanical systems, optical devices, and semiconductor substrates. However, the techniques for producing microstructures on diamond surface with high efficiency and accuracy have not been established. This paper proposes a thermochemical imprinting method for transferring microstructures from a nickel (Ni) mold onto single-crystal diamond surface. The Ni mold was micro-structured by a nanoindenter and then pressed against the diamond surface under high temperature and pressure in argon atmosphere. Results show that microstructures on the Ni mold were successfully transferred onto the diamond surface, and their depth increased with both pressure and temperature. Laser micro-Raman spectroscopy, transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS) analyses indicate that a graphite layer was formed over the contact area between diamond and Ni during pressing, and after washing by a mixed acid, the graphite layer could be completely removed. This study demonstrated the feasibility of a cost-efficient fabrication method for large-area microstructures on single-crystal diamond.

  2. Co on Pt(111) studied by spin-polarized scanning tunneling microscopy and spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Meier, F.K.

    2006-07-01

    In this thesis the electronic properties of the bare Pt(111) surface, the structural, electronic, and magnetic properties of monolayer and double-layer high Co nanostructures as well as the spin-averaged electronic structure of single Co atoms on Pt(111) were studied by low-temperature scanning tunneling microscopy (STM) and spectroscopy (STS). The experiments on the bare Pt(111) surface and on single Co atoms have been performed in an STM facility operating at temperatures of down to 0.3 K and at magnetic fields of up to 14 T under ultra-high vacuum conditions. The facility has been taken into operation within the time period of this thesis and its specifications were tested by STS measurements. These characterization measurements show a very high stability of the tunneling junction and an energy resolution of about 100 {mu}eV, which is close to the thermal limit. The investigation of the electronic structure of the bare Pt(111) surface reveals the existence of an unoccupied surface state. By a comparison of the measured dispersion to first-principles electronic structure calculations the state is assigned to an sp-derived surface band at the lower boundary of the projected bulk band gap. The surface state exhibits a strong spin-orbit coupling induced spin splitting. The close vicinity to the bulk bands leads to a strong linear contribution to the dispersion and thus to a deviant appearance in the density of states in comparison to the surface states of the (111) surfaces of noble metals. A detailed study of Co monolayer and double-layer nanostructures on the Pt(111) surface shows that both kinds of nanostructures exhibit a highly inhomogeneous electronic structure which changes at the scale of only a few Aa due to a strong stacking dependence with respect to the Pt(111) substrate. With the help of first principles calculations the different spectroscopic appearance for Co atoms within the Co monolayer is assigned to a stacking dependent hybridization of Co states

  3. Magnetic properties of bimetallic nanoislands deposited on Pt(111)

    Energy Technology Data Exchange (ETDEWEB)

    Bornemann, Sven; Minar, Jan; Mankovsky, Sergey; Ebert, Hubert [Department Chemie und Biochemie, LMU Muenchen, 81377 Muenchen (Germany); Ouazi, Safia; Rusponi, Stefano; Brune, Harald [Institute of Condensed Matter Physics, EPF Lausanne (Switzerland); Staunton, Julie B. [Department of Physics, University of Warwick (United Kingdom)

    2010-07-01

    In recent years, magnetic nanostructures on surfaces have been the subject of intense research activities which are driven by fundamental as well as practical interests. One of the central questions for future applications is how the magnetic properties like the magnetic anisotropy evolve in-between single magnetic adatoms and submonolayer magnetic particle arrays. Experimentalists have succeeded in assembling surface supported single domain particles where the magnetic moments of all atoms form a so-called macrospin and it is commonly believed that the special magnetic characteristics of such structures are mainly due to their exposed low-coordinated edge atoms. For some of these novel systems, however, unexpected low anisotropies or reduced magnetic moments are observed which makes it difficult to find promising candidates for real life technical applications. To support these experimental efforts the fully relativistic spin-polarized KKR method has been applied to investigate the influence of spin-orbit coupling on the magnetic properties of various FeCo nanostructures deposited on Pt(111). The discussion focuses on interface and alloy contributions to the magnetic anisotropy in these systems.

  4. Magnetism of a Co monolayer on Pt(111) capped by overlayers of 5 d elements: A spin-model study

    Science.gov (United States)

    Simon, E.; Rózsa, L.; Palotás, K.; Szunyogh, L.

    2018-04-01

    Using first-principles calculations, we study the magnetic properties of a Co monolayer on a Pt(111) surface with a capping monolayer of selected 5 d elements (Re, Os, Ir, Pt, and Au). First we determine the tensorial exchange interactions and magnetic anisotropies characterizing the Co monolayer for all considered systems. We find a close relationship between the magnetic moment of the Co atoms and the nearest-neighbor isotropic exchange interaction, which is attributed to the electronic hybridization between the Co and the capping layers, in the spirit of the Stoner picture of ferromagnetism. The Dzyaloshinskii-Moriya interaction is decreased for all overlayers compared to the uncapped Co/Pt(111) system, while even the sign of the Dzyaloshinskii-Moriya interaction changes in the case of the Ir overlayer. We conclude that the variation of the Dzyaloshinskii-Moriya interaction is well correlated with the change of the magnetic anisotropy energy and of the orbital moment anisotropy. The unique influence of the Ir overlayer on the Dzyaloshinskii-Moriya interaction is traced by scaling the strength of the spin-orbit coupling of the Ir atoms in Ir/Co/Pt(111) and by changing the Ir concentration in the Au1 -xIrx /Co/Pt(111) system. Our spin dynamics simulations indicate that the magnetic ground state of Re/Co/Pt(111) thin film is a spin spiral with a tilted normal vector, while the other systems are ferromagnetic.

  5. Tunable top-down fabrication and functional surface coating of single-crystal titanium dioxide nanostructures and nanoparticles

    Science.gov (United States)

    Ha, Seungkyu; Janissen, Richard; Ussembayev, Yera Ye.; van Oene, Maarten M.; Solano, Belen; Dekker, Nynke H.

    2016-05-01

    Titanium dioxide (TiO2) is a key component of diverse optical and electronic applications that exploit its exceptional material properties. In particular, the use of TiO2 in its single-crystalline phase can offer substantial advantages over its amorphous and polycrystalline phases for existing and yet-to-be-developed applications. However, the implementation of single-crystal TiO2 has been hampered by challenges in its fabrication and subsequent surface functionalization. Here, we introduce a novel top-down approach that allows for batch fabrication of uniform high-aspect-ratio single-crystal TiO2 nanostructures with targeted sidewall profiles. We complement our fabrication approach with a functionalization strategy that achieves dense, uniform, and area-selective coating with a variety of biomolecules. This allows us to fabricate single-crystal rutile TiO2 nanocylinders tethered with individual DNA molecules for use as force- and torque-transducers in an optical torque wrench. These developments provide the means for increased exploitation of the superior material properties of single-crystal TiO2 at the nanoscale.Titanium dioxide (TiO2) is a key component of diverse optical and electronic applications that exploit its exceptional material properties. In particular, the use of TiO2 in its single-crystalline phase can offer substantial advantages over its amorphous and polycrystalline phases for existing and yet-to-be-developed applications. However, the implementation of single-crystal TiO2 has been hampered by challenges in its fabrication and subsequent surface functionalization. Here, we introduce a novel top-down approach that allows for batch fabrication of uniform high-aspect-ratio single-crystal TiO2 nanostructures with targeted sidewall profiles. We complement our fabrication approach with a functionalization strategy that achieves dense, uniform, and area-selective coating with a variety of biomolecules. This allows us to fabricate single-crystal rutile

  6. Rotation and diffusion of naphthalene on Pt(111)

    Science.gov (United States)

    Kolsbjerg, E. L.; Goubert, G.; McBreen, P. H.; Hammer, B.

    2018-03-01

    The behavior of naphthalene on Pt(111) surfaces is studied by combining insight from scanning tunneling microscopy (STM) and van der Waals enabled density functional theory. Adsorption, diffusion, and rotation are investigated by a series of variable temperature STM experiments revealing naphthalene ability to rotate on-site with ease with a rotational barrier of 0.69 eV. Diffusion to neighbouring sites is found to be more difficult. The experimental results are in good agreement with the theoretical investigations which confirm that the barrier for diffusion is slightly higher than the one for rotation. The theoretical barriers for rotation and translation are found to be 0.75 and 0.78 eV, respectively. An automatic mapping of the possible diffusion pathways reveals very detailed diffusion paths with many small local minima that would have been practically impossible to find manually. This automated procedure provides detailed insight into the preferred diffusion pathways that are important for our understanding of molecule-substrate interactions.

  7. Effect of hydrogen coverage on hydrogenation of o-cresol on Pt(111)

    Science.gov (United States)

    Li, Yaping; Liu, Zhimin; Crossley, Steven P.; Jentoft, Friederike C.; Wang, Sanwu

    2018-06-01

    The conversion of phenolics over metal catalysts is an important process for upgrading biofuels. With density functional calculations, hydrogenation of o-cresol on the hydrogen-covered Pt(111) surface was investigated. The results show that the coverage of hydrogen plays a significant role in the reaction rate while it does not affect the reaction selectivity. The reaction barriers of the hydrogenation process leading to the formation of both 2-methyl-cyclohexanone (the intermediate product) and 2-methyl-cyclohexanol (the final product) at high H coverages (∼1 ML) are found to be smaller by 0.14-0.69 eV than those at lower H coverages (∼1/25 ML). After both hydrogen and cresol are adsorbed on Pt(111) from their initial gas phase state, the reaction energy of each hydrogenation step on the surface is also dependent on the hydrogen coverage. On the H-covered Pt(111) surface, most steps of hydrogenation involve exothermic reactions when the hydrogen coverage is high while they are endothermic reactions at low hydrogen coverages. The differences in reaction rate and reaction energy between high and low H coverages can be understood with the coverage-dependent bonding strength and configurations.

  8. Surface and zeta-potentials of silver halide single crystals: pH-dependence in comparison to particle systems

    International Nuclear Information System (INIS)

    Selmani, Atiða; Kallay, Nikola; Preočanin, Tajana; Lützenkirchen, Johannes

    2014-01-01

    We have carried out surface and zeta-potential measurements on AgCl and AgBr single crystals. As for particle systems we find that, surprisingly and previously unnoted, the zeta-potential exhibits pH-dependence, while the surface potential does not. A possible interpretation of these observations is the involvement of water ions in the interfacial equilibria and in particular, stronger affinity of the hydroxide ion compared to the proton. The pH-dependence of the zeta-potential can be suppressed at sufficiently high silver concentrations, which agrees with previous measurements in particle systems where no pH-dependence was found at high halide ion concentrations. The results suggest a subtle interplay between the surface potential determining the halide and silver ion concentrations, and the water ions. Whenever the charge due to the halide and silver ions is sufficiently high, the influence of the proton/hydroxide ion on the zeta-potential vanishes. This might be related to the water structuring at the relevant interfaces which should be strongly affected by the surface potential. Another interesting observation is accentuation of the assumed water ion effect on the zeta-potential at the flat single crystal surfaces compared to the corresponding silver halide colloids. Previous generic MD simulations have indeed predicted that hydroxide ion adsorption is accentuated on flat/rigid surfaces. A thermodynamic model for AgI single crystals was developed to describe the combined effects of iodide, silver and water ions, based on two independently previously published models for AgI (that only consider constituent and background electrolyte ions) and inert surfaces (that only consider water and background electrolyte ions). The combined model correctly predicts all the experimentally observed trends. (paper)

  9. High temperature oxidation behavior of aluminide on a Ni-based single crystal superalloy in different surface orientations

    Institute of Scientific and Technical Information of China (English)

    Fahamsyah H.Latief; Koji Kakehi; El-Sayed M.Sherif

    2014-01-01

    An investigation on oxidation behavior of coated Ni-based single crystal superalloy in different surface orientations has been carried out at 1100 1C. It has been found that the {100} surface shows a better oxidation resistance than the {110} one, which is attributed that the {110}surface had a slightly higher oxidation rate when compared to the {100} surface. The experimental results also indicated that the anisotropic oxidation behavior took place even with a very small difference in the oxidation rates that was found between the two surfaces. The differences of the topologically close packed phase amount and its penetration depth between the two surfaces, including the ratio of α-Al2O3 after 500 h oxidation, were responsible for the oxidation anisotropy.

  10. Single crystal growth and surface chemical stability of KPb2Br5

    Science.gov (United States)

    Atuchin, V. V.; Isaenko, L. I.; Kesler, V. G.; Tarasova, A. Yu.

    2011-03-01

    Single crystal of KPb2Br5 has been grown using the Bridgman technique. Initially the synthesis of stoichiometric KPb2Br5 compound was performed from high purity bromide salts. Electronic structure of KPb2Br5 has been determined with X-ray photoelectron spectroscopy for powdered sample fabricated by grinding in air. Drastic chemical interaction of KPb2Br5 with atmosphere has not been detected. Chemical bonding in potassium- and lead-containing bromides is considered using binding energy differences ΔK=(BE K 2p3/2-BE Br 3d) and ΔPb=(BE Pb 4f7/2-BE Br 3d), respectively, as representative parameters.

  11. Infrared spectroscopy of physisorbed and chemisorbed N-2 in the Pt(111)(3x3)N-2 structure

    DEFF Research Database (Denmark)

    Gustafsson, K.; Karlberg, Gustav; Andersson, Sven

    2007-01-01

    Using infrared spectroscopy and low electron energy diffraction, we have investigated the adsorption of N-2, at 30 K, on the Pt(111) and the Pt(111)(1x1)H surfaces. At monolayer coverage, N-2 orders in commensurate (3x3) structures on both surfaces, and we propose that the unit cells contain four...... molecules in each case. The infrared spectra reveal that N-2 exclusively physisorbs on the Pt(111)(1x1)H surface, while both physisorbed and chemisorbed N-2 is detected on the Pt(111) surface. Physisorbed N-2 is the majority species in the latter case, and the two adsorption states show an almost identical...... uptake behavior, which indicates that they are intrinsic constituents of the growing (3x3) N-2 islands. An analysis of the infrared absorbance data, based on a simple scaling concept suggested by density functional theory calculations, supports a model in which the (3x3) unit cell contains one...

  12. Atomic Structure Control of Silica Thin Films on Pt(111)

    KAUST Repository

    Crampton, Andrew S; Ridge, Claron J.; Rö tzer, Marian David; Zwaschka, Gregor; Braun, Thomas; D'Elia, Valerio; Basset, Jean-Marie; Schweinberger, Florian Frank; Gü nther, Sebastian; Heiz, Ueli

    2015-01-01

    Metal oxide thin films grown on metal single crystals are commonly used to model heterogeneous catalyst supports. The structure and properties of thin silicon dioxide films grown on metal single crystals have only recently been thoroughly

  13. Effect of SHI irradiation on structural, surface morphological and optical studies of CVT grown ZnSSe single crystals

    International Nuclear Information System (INIS)

    Kannappan, P.; Asokan, K.; Krishna, J.B.M.; Dhanasekaran, R.

    2013-01-01

    Highlights: •CVT grown ZnSSe single crystals were irradiated with 120 MeV Au ion. •The GIXRD results show the FWHM increases with increasing ion fluency. •The AFM study show the surface roughness increases with ion fluency. •The optical band gap energy vary with increasing ion fluency. •The PL emission decreases with increasing ion fluency. -- Abstract: The ZnSSe single crystals grown by chemical vapour transport (CVT) method have been irradiated by 120 MeV Au 9+ ions at room temperature with fluences of 1 × 10 12 and 5 × 10 12 ions/cm 2 . The grazing incidence X-ray diffraction (GIXRD) results show that the full width at half maximum (FWHM) value for the as grown ZnSSe crystal is 0.215°; and for the irradiated samples, the FWHM values are 0.413° and 0.625°, with the increase of ion fluences. The atomic force microscopy (AFM) studies reveal the formation of the pits and islands due to irradiation. The optical absorption cut off wavelength is found to be 441 nm for as grown ZnSSe crystal. The cut off values are increased to 447 nm and 457 nm for the irradiated samples with increasing ion fluency. The photoluminescence studies show the emission for the as grown ZnSSe is 590 nm whereas for the irradiated samples in the emission range it is 580–590 nm and 575–595 nm due to SHI irradiation. FT-Raman spectra analysis has been made for the ZnSSe single crystals and irradiated samples. The results are discussed in detail

  14. Effect of SHI irradiation on structural, surface morphological and optical studies of CVT grown ZnSSe single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kannappan, P. [Crystal Growth Centre, Anna University, Chennai 600 025 (India); Asokan, K. [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110 067 (India); Krishna, J.B.M. [UGC-DAE Consortium for Scientific Research, III-/LB-8, Bidhan nagar, Kolkata 700 098 (India); Dhanasekaran, R., E-mail: rdcgc@yahoo.com [Crystal Growth Centre, Anna University, Chennai 600 025 (India)

    2013-12-15

    Highlights: •CVT grown ZnSSe single crystals were irradiated with 120 MeV Au ion. •The GIXRD results show the FWHM increases with increasing ion fluency. •The AFM study show the surface roughness increases with ion fluency. •The optical band gap energy vary with increasing ion fluency. •The PL emission decreases with increasing ion fluency. -- Abstract: The ZnSSe single crystals grown by chemical vapour transport (CVT) method have been irradiated by 120 MeV Au{sup 9+} ions at room temperature with fluences of 1 × 10{sup 12} and 5 × 10{sup 12} ions/cm{sup 2}. The grazing incidence X-ray diffraction (GIXRD) results show that the full width at half maximum (FWHM) value for the as grown ZnSSe crystal is 0.215°; and for the irradiated samples, the FWHM values are 0.413° and 0.625°, with the increase of ion fluences. The atomic force microscopy (AFM) studies reveal the formation of the pits and islands due to irradiation. The optical absorption cut off wavelength is found to be 441 nm for as grown ZnSSe crystal. The cut off values are increased to 447 nm and 457 nm for the irradiated samples with increasing ion fluency. The photoluminescence studies show the emission for the as grown ZnSSe is 590 nm whereas for the irradiated samples in the emission range it is 580–590 nm and 575–595 nm due to SHI irradiation. FT-Raman spectra analysis has been made for the ZnSSe single crystals and irradiated samples. The results are discussed in detail.

  15. Metodologia para o crescimento de esferas monocristalinas de metais nobres A methodology for the growing of single crystal spheres of noble metals

    Directory of Open Access Journals (Sweden)

    Luiz H. Dall'Antonia

    1999-09-01

    Full Text Available This paper describes in detail a technique employed to grow quasi-spherical single crystals of noble metals for electrochemical applications, using platinum as an example. The metal beads were formed by melting the extremity of a wire in an oxygen / butane flame. X-ray techniques were used to check the crystallization and to determine the orientation of the crystals. Treatment with a pure hydrogen flame followed by a cooling procedure in a hydrogen / argon atmosphere were used for conditioning the well-defined platinum single crystal surfaces. Finally, electrochemical characterization of the Pt(111, Pt(110 and Pt(100 surfaces was done in diluted sulfuric acid solution in the hydrogen adsorption / desorption potential region.

  16. Zn Electrodeposition on Single-Crystal GaN(0001 Surface: Nucleation and Growth Mechanism

    Directory of Open Access Journals (Sweden)

    Fei Peng

    2016-01-01

    Full Text Available The electrochemical deposition of zinc on single-crystal n-type GaN(0001 from a sulphate solution has been investigated on the basis of electrochemical techniques including cyclic voltammetry, chronoamperometry, and Tafel plot. The morphology and crystal structure of zinc deposits have been characterized by means of scanning electron microscopy, X-ray diffraction, and energy-dispersive X-ray analysis. The result has revealed that the deposition of Zn on GaN electrode commenced at a potential of −1.12 V versus Ag/AgCl. According to the Tafel plot, an exchange current density of ~0.132 mA cm−2 was calculated. In addition, the current transient measurements have shown that Zn deposition process followed the instantaneous nucleation in 10 mM ZnSO4 + 0.5 M Na2SO4 + 0.5 M H3BO3 (pH = 4.

  17. Site-dependent charge transfer at the Pt(111)-ZnPc interface and the effect of iodine

    International Nuclear Information System (INIS)

    Ahmadi, Sareh; Wojek, Bastian M.; Noël, Quentin; Göthelid, Mats; Agnarsson, Björn; Bidermane, Ieva; Sun, Chenghua

    2014-01-01

    The electronic structure of ZnPc, from sub-monolayers to thick films, on bare and iodated Pt(111) is studied by means of X-ray photoelectron spectroscopy, X-ray absorption spectroscopy, and scanning tunneling microscopy. Our results suggest that at low coverage ZnPc lies almost parallel to the Pt(111) substrate, in a non-planar configuration induced by Zn-Pt attraction, leading to an inhomogeneous charge distribution within the molecule and an inhomogeneous charge transfer to the molecule. ZnPc does not form a complete monolayer on the Pt surface, due to a surface-mediated intermolecular repulsion. At higher coverage ZnPc adopts a tilted geometry, due to a reduced molecule-substrate interaction. Our photoemission results illustrate that ZnPc is practically decoupled from Pt, already from the second layer. Pre-deposition of iodine on Pt hinders the Zn-Pt attraction, leading to a non-distorted first layer ZnPc in contact with Pt(111)-I(√3×√3) or Pt(111)-I(√7×√7), and a more homogeneous charge distribution and charge transfer at the interface. On increased ZnPc thickness iodine is dissolved in the organic film where it acts as an electron acceptor dopant

  18. High-Pressure Catalytic Reactions of C6 Hydrocarbons on PlatinumSingle-Crystals and nanoparticles: A Sum Frequency Generation VibrationalSpectroscopic and Kinetic Study

    Energy Technology Data Exchange (ETDEWEB)

    Bratlie, Kaitlin [Univ. of California, Berkeley, CA (United States)

    2007-01-01

    Catalytic reactions of cyclohexene, benzene, n-hexane, 2-methylpentane, 3-methylpentane, and 1-hexene on platinum catalysts were monitored in situ via sum frequency generation (SFG) vibrational spectroscopy and gas chromatography (GC). SFG is a surface specific vibrational spectroscopic tool capable of monitoring submonolayer coverages under reaction conditions without gas-phase interference. SFG was used to identify the surface intermediates present during catalytic processes on Pt(111) and Pt(100) single-crystals and on cubic and cuboctahedra Pt nanoparticles in the Torr pressure regime and at high temperatures (300K-450K). At low pressures (<10-6 Torr), cyclohexene hydrogenated and dehydrogenates to form cyclohexyl (C6H11) and π-allyl C6H9, respectively, on Pt(100). Increasing pressures to 1.5 Torr form cyclohexyl, π-allyl C6H9, and 1,4-cyclohexadiene, illustrating the necessity to investigate catalytic reactions at high-pressures. Simultaneously, GC was used to acquire turnover rates that were correlated to reactive intermediates observed spectroscopically. Benzene hydrogenation on Pt(111) and Pt(100) illustrated structure sensitivity via both vibrational spectroscopy and kinetics. Both cyclohexane and cyclohexene were produced on Pt(111), while only cyclohexane was formed on Pt(100). Additionally, π-allyl c-C6H9 was found only on Pt(100), indicating that cyclohexene rapidly dehydrogenates on the (100) surface. The structure insensitive production of cyclohexane was found to exhibit a compensation effect and was analyzed using the selective energy transfer (SET) model. The SET model suggests that the Pt-H system donates energy to the E2u mode of free benzene, which leads to catalysis. Linear C6 (n-hexane, 2-methylpentane, 3-methylpentane, and 1-hexene) hydrocarbons were also investigated in the presence and absence of excess hydrogen on Pt

  19. Ultrahigh vacuum STM/STS studies of the Bi-O surface in Bi2Sr2CuOy single crystals

    International Nuclear Information System (INIS)

    Ikeda, Kazuto; Tomeno, Izumi; Takamuku, Kenshi; Yamaguchi, Koji; Itti, Rittaporn; Koshizuka, Naoki

    1992-01-01

    Scanning tunneling microscopic and spectroscopic studies were made on cleaved surfaces of Bi 2 Sr 2 CuO y single crystals using an ultrahigh-vacuum scanning tunneling microscope (UHV-STM). The modulation structures of the Bi-O surface were observed at room temperature with atomic resolution. The tunneling spectra showed electronic gap structures similar to those observed for the Bi-O surface of superconducting Bi-2212 single crystals. This suggests that superconductivity is not directly related to the electronic structure observed in the Bi-O plane. (orig.)

  20. Effect of surface states on the electrochemical behaviour of single crystal n-ZnSe photoelectrode

    International Nuclear Information System (INIS)

    El-Dessouki, M.S.

    1987-10-01

    Surface Photovoltage Spectroscopy (SPS) technique has been used to detect the surface states of ZnSe (110) surfaces. Aqueous electrolyte/ZnSe junction has been electrochemically investigated in dark and under illumination. The effect of surface states on the kinetics of charge transfer through the semiconductor-electrolyte (S/E) junction has been discussed. The low leakage and photocurrents measured by the application of DC bias were referred to the blocking nature of S/E interface, in which the localized and induced surface states play an important role. (author). 19 refs, 4 figs

  1. Work function mediated by deposition of ultrathin polar FeO on Pt(111)

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Shuangzan; Qin, Zhihui; Guo, Qinmin; Cao, Gengyu, E-mail: gycao@wipm.ac.cn

    2017-01-15

    Highlights: • Growth of FeO layers on Pt(111) is found to consecutively reduce the work function of the system. • The electrostatic compression effect and the structural relaxation make major contributions to the reductions. • Significant rectifying effect observed in the FeO layer is induced by band alignment shift as work function changing. - Abstract: Significant work function changes from bare Pt(111) surface to 1 monolayer and 2 monolayers of ultrathin iron oxide (FeO) films on it are investigated by means of scanning tunneling microscopy/spectroscopy (STM/STS). With FeO layer-by-layer growth, a continuous reduction of the work function along with the surface vacuum level (VL) shifting is observed. We found that the compression of the electron spill-out at the metal-oxide interface and the substantial reconstruction of 2 ML FeO film, respectively, make major contributions to the first and the second reductions of the work function. The rectifying effect in FeO films is also observed, which is attributed to the downward shift of band alignment imposed by the total change in surface dipole. Our work shows that the polar oxide films play an important role to adjust surface electronic structures for enhancing device functionality.

  2. Work function mediated by deposition of ultrathin polar FeO on Pt(111)

    International Nuclear Information System (INIS)

    Lu, Shuangzan; Qin, Zhihui; Guo, Qinmin; Cao, Gengyu

    2017-01-01

    Highlights: • Growth of FeO layers on Pt(111) is found to consecutively reduce the work function of the system. • The electrostatic compression effect and the structural relaxation make major contributions to the reductions. • Significant rectifying effect observed in the FeO layer is induced by band alignment shift as work function changing. - Abstract: Significant work function changes from bare Pt(111) surface to 1 monolayer and 2 monolayers of ultrathin iron oxide (FeO) films on it are investigated by means of scanning tunneling microscopy/spectroscopy (STM/STS). With FeO layer-by-layer growth, a continuous reduction of the work function along with the surface vacuum level (VL) shifting is observed. We found that the compression of the electron spill-out at the metal-oxide interface and the substantial reconstruction of 2 ML FeO film, respectively, make major contributions to the first and the second reductions of the work function. The rectifying effect in FeO films is also observed, which is attributed to the downward shift of band alignment imposed by the total change in surface dipole. Our work shows that the polar oxide films play an important role to adjust surface electronic structures for enhancing device functionality.

  3. Interaction of carbon dioxide with Cu overlayers on Pt(111)

    DEFF Research Database (Denmark)

    Schumacher, N.; Andersson, Klas Jerker; Grabow, L.C.

    2008-01-01

    Experimental and theoretical studies on the interaction of carbon dioxide with pseudomorphic and rough copper layers deposited on a platinum (111) single crystal are reported. Evidence for carbon dioxide dissociation and carbonate formation is presented and the relevance to methanol synthesis......) reveals a broad high temperature desorption state for CO2 with peak maximum around 450 K. X-ray photoelectron spectroscopy (XPS) shows that approximately one third of the oxygen accumulated on the surface upon CO2 exposure remains after TPD, indicative of carbonate formation via CO2 dissociation supplying...... O-ads and then facile CO2 + O-ads association, as well as subsequent decomposition at higher temperatures. Density functional theory studies of stepped Cu and Cu/Pt slabs reproduce vibrational frequencies of the carbonate, suggesting a nearly flat tridentate configuration at steps/defect sites....

  4. Surface role in reorientation of internal layers of molybdenum single crystal during rolling

    International Nuclear Information System (INIS)

    Antsiforov, P.N.; Gorordetskij, S.D.; Markashova, A.I.; Martynenko, S.I.

    1991-01-01

    Structure, orientations and chemical composition of surface and internal layers of molybdenum rolled monocrystals are studied using electron microscopy, X-ray and Auger-analyses. Model of reorientation allowing to determine relation of deformation mechanism localized in surface layer with reorientation of internal layers, is described to explain the results

  5. Effect of electron irradiation on the surface properties of Ge-Si single crystals

    International Nuclear Information System (INIS)

    Bakirov, M.Ya.; Ibragimov, N.I.

    1998-01-01

    It is established that by electron irradiation of the Ge 1-x Si x (x = 0 - 0.15) monocrystals with the dose of ≤ 10 13 cm -2 the concentration of the surface charged centers N t does not change. Some drop in the N t value with tendency to saturation is observed by increase in the dose. The speed of the surface recombination also grows with tendency to saturation. Monotonous growth of the surface recombination is identified by increase in dislocations density [ru

  6. Surface acoustic load sensing using a face-shear PIN-PMN-PT single-crystal resonator.

    Science.gov (United States)

    Kim, Kyungrim; Zhang, Shujun; Jiang, Xiaoning

    2012-11-01

    Pb(In(0.5)Nb(0.5))O(3)-Pb(Mg(1/3)Nb(2/3))O(3)-PbTiO(3) (PIN-PMN-PT) resonators for surface acoustic load sensing are presented in this paper. Different acoustic loads are applied to thickness mode, thickness-shear mode, and face-shear mode resonators, and the electrical impedances at resonance and anti-resonance frequencies are recorded. More than one order of magnitude higher sensitivity (ratio of electrical impedance change to surface acoustic impedance change) at the resonance is achieved for the face-shear-mode resonator compared with other resonators with the same dimensions. The Krimholtz, Leedom, and Matthaei (KLM) model is used to verify the surface acoustic loading effect on the electrical impedance spectrum of face-shear PIN-PMN-PT single-crystal resonators. The demonstrated high sensitivity of face-shear mode resonators to surface loads is promising for a broad range of applications, including artificial skin, biological and chemical sensors, touch screens, and other touch-based sensors.

  7. Coupling of carbon monoxide molecules over oxygen-defected UO2(111) single crystal and thin film surfaces.

    Science.gov (United States)

    Senanayake, S D; Waterhouse, G I N; Idriss, H; Madey, Theodore E

    2005-11-22

    While coupling reactions of carbon-containing compounds are numerous in organometallic chemistry, they are very rare on well-defined solid surfaces. In this work we show that the reductive coupling of two molecules of carbon monoxide to C2 compounds (acetylene and ethylene) could be achieved on oxygen-defected UO2(111) single crystal and thin film surfaces. This result allows in situ electron spectroscopic investigation of a typical organometallic reaction such as carbon coupling and extends it to heterogeneous catalysis and solids. By using high-resolution photoelectron spectroscopy (HRXPS) it was possible to track the changes in surface states of the U and O atoms as well as identify the intermediate of the reaction. Upon CO adsorption U cations in low oxidation states are oxidized to U4+ ions; this was accompanied by an increase of the O-to-U surface ratios. The HRXPS C 1s lines show the presence of adsorbed species assigned to diolate species (-OCH=CHO-) that are most likely the reaction intermediate in the coupling of two CO molecules to acetylene and ethylene.

  8. Coupling of Carbon Monoxide Molecules over Oxygen Defected UO2 (111) Single Crystal and Thin Film Surfaces

    International Nuclear Information System (INIS)

    Senanayake, S.; Waterhouse, G.; Idriss, H.; Madey, T.

    2005-01-01

    While coupling reactions of carbon-containing compounds are numerous in organometallic chemistry, they are very rare on well-defined solid surfaces. In this work we show that the reductive coupling of two molecules of carbon monoxide to C 2 compounds (acetylene and ethylene) could be achieved on oxygen-defected UO 2 (111) single crystal and thin film surfaces. This result allows in situ electron spectroscopic investigation of a typical organometallic reaction such as carbon coupling and extends it to heterogeneous catalysis and solids. By using high-resolution photoelectron spectroscopy (HRXPS) it was possible to track the changes in surface states of the U and O atoms as well as identify the intermediate of the reaction. Upon CO adsorption U cations in low oxidation states are oxidized to U 4+ ions; this was accompanied by an increase of the O-to-U surface ratios. The HRXPS C 1s lines show the presence of adsorbed species assigned to diolate species (-OCH=CHO-) that are most likely the reaction intermediate in the coupling of two CO molecules to acetylene and ethylene

  9. Influence of physicochemical factors on microplasticity of surface layer of molybdenum single crystals

    International Nuclear Information System (INIS)

    Savenko, V.I.; Kuchumova, V.M.; Kochanova, L.A.; Shchukin, E.D.

    1984-01-01

    Microplasticity of the surface layer (not more than 10 μm) of a molybdenum monocrystal was investigated by the methods of ultramicrosclerometry and microindentation. Tests of samples with clean surface and with monolayer octadecylamine film were conducted in the air at 60% relative humidity. Microplastic deformation of samples was conducted by slipping of garnet needle on crystal surface with 10 -6 -10 -2 N force. Sclerograms represented etch pits corresponding to dislocation discharges on the surface. The linear density of dislocations in indentor routes and statistic factor (the probability of plastic deformation at assigned force) were used as microplasticity characteristics. It was revealed that plane (111) is the most prone to plastic damage and plane (100) is the least prone to it

  10. Surface Electronic Structure of Hybrid Organo Lead Bromide Perovskite Single Crystals

    KAUST Repository

    Komesu, Takashi

    2016-08-24

    The electronic structure and band dispersion of methylammonium lead bromide, CH3NH3PbBr3, has been investigated through a combination of angle-resolved photoemission spectroscopy (ARPES) and inverse photoemission spectroscopy (IPES), as well as theoretical modeling based on density functional theory. The experimental band structures are consistent with the density functional calculations. The results demonstrate the presence of a dispersive valence band in MAPbBr3 that peaks at the M point of the surface Brillouin zone. The results also indicate that the surface termination of the CH3NH3PbBr3 is the methylammonium bromide (CH3NH3Br) layer. We find our results support models that predict a heavier hole effective mass in the region of -0.23 to -0.26 me, along the Γ (surface Brillouin center) to M point of the surface Brillouin zone. The surface appears to be n-type as a result of an excess of lead in the surface region. © 2016 American Chemical Society.

  11. Probing adsorption phenomena on a single crystal Pt-alloy surface under oxygen reduction reaction conditions

    International Nuclear Information System (INIS)

    Bondarenko, Alexander S.; Stephens, Ifan E.L.; Bech, Lone; Chorkendorff, Ib

    2012-01-01

    Highlights: ► Impedance spectroscopy of Cu/Pt(1 1 1) near-surface alloy and Pt(1 1 1). ► Presence of oxygen changes little the adsorption dynamics. ► Adsorption dynamics similar on alloy and Pt(1 1 1). ► Electrosorption phenomena on alloy shifted in potential, relative to Pt(1 1 1). - Abstract: The adsorption dynamics of *OH and *O species at Pt(1 1 1) and Cu/Pt(1 1 1) near-surface alloy (NSA) surfaces in oxygen-free and O 2 -saturated 0.1 M HClO 4 was investigated. Subsurface Cu modifies the electronic structure at the Pt(1 1 1) surface resulting in weaker bonding to adsorbates like *OH, *H or *O. This provides a basis for the high oxygen reduction activity of the NSA, as predicted by density functional theory calculations. The shift in *OH adsorption of around 0.16 V towards more positive potentials can be clearly monitored in absence of O 2 and under the oxygen reduction reaction (ORR) conditions for the Cu/Pt(1 1 1) NSA. In both cases, for Pt(1 1 1) and NSA, the *OH(*O) adsorption dynamics is very similar in the absence of oxygen and under ORR conditions. Therefore, theoretical assumptions about the coverage of adsorbates in the absence of oxygen can be reasonably extrapolated to the situation when oxygen reduction takes place at the surface. A ∼5-fold improvement in the ORR activity over the Pt(1 1 1) at 0.9 V (RHE) was measured for the Cu/Pt(1 1 1) near-surface alloy.

  12. The structural and compositional analysis of single crystal surfaces using low energy ion scattering

    International Nuclear Information System (INIS)

    Armour, D.G.; Van der Berg, J.A.; Verheij, IL.K.

    1979-01-01

    The use of ion scattering for surface composition and structure analysis has been reviewed. The extreme surface specificity of this technique has been widely used to obtain quitative information in a straightforward way, but the/aolc/currence of charge exchange processes, thermal lattice vibrations and multiple scattering have precluded quantitative analysis of experimental data. Examples are quoted to illustrate the progress that has been made in understanding these fundamental processes and in applying this knowledge to the development of the analytical capabilities of the technique. (author)

  13. Surface chemistry of 2-butanol and furfural on Cu, Au and Cu/Au single crystals

    OpenAIRE

    Megginson, Rory

    2016-01-01

    In this study, the adsorption of 2-butanol and furfural was investigated on Au (111), Cu (111) and Cu/Au (111) surfaces. It was hoped that by studying how these species adsorbed on these surfaces , insight would be provided into the roles of Cu and Au in the “hydrogen free” hydrogenation of furfural to furfuryl alcohol. This is a valuable process as currently furfuryl alcohol is derived from crude oil but it is possible to derive furfural from corn husk making it a greener process...

  14. Surface texture of single-crystal silicon oxidized under a thin V{sub 2}O{sub 5} layer

    Energy Technology Data Exchange (ETDEWEB)

    Nikitin, S. E., E-mail: nikitin@mail.ioffe.ru; Verbitskiy, V. N.; Nashchekin, A. V.; Trapeznikova, I. N.; Bobyl, A. V.; Terukova, E. E. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation)

    2017-01-15

    The process of surface texturing of single-crystal silicon oxidized under a V{sub 2}O{sub 5} layer is studied. Intense silicon oxidation at the Si–V{sub 2}O{sub 5} interface begins at a temperature of 903 K which is 200 K below than upon silicon thermal oxidation in an oxygen atmosphere. A silicon dioxide layer 30–50 nm thick with SiO{sub 2} inclusions in silicon depth up to 400 nm is formed at the V{sub 2}O{sub 5}–Si interface. The diffusion coefficient of atomic oxygen through the silicon-dioxide layer at 903 K is determined (D ≥ 2 × 10{sup –15} cm{sup 2} s{sup –1}). A model of low-temperature silicon oxidation, based on atomic oxygen diffusion from V{sub 2}O{sub 5} through the SiO{sub 2} layer to silicon, and SiO{sub x} precipitate formation in silicon is proposed. After removing the V{sub 2}O{sub 5} and silicon-dioxide layers, texture is formed on the silicon surface, which intensely scatters light in the wavelength range of 300–550 nm and is important in the texturing of the front and rear surfaces of solar cells.

  15. Pyridine adsorption and diffusion on Pt(111) investigated with density functional theory

    International Nuclear Information System (INIS)

    Kolsbjerg, Esben L.; Groves, Michael N.; Hammer, Bjørk

    2016-01-01

    The adsorption, diffusion, and dissociation of pyridine, C 5 H 5 N, on Pt(111) are investigated with van der Waals-corrected density functional theory. An elaborate search for local minima in the adsorption potential energy landscape reveals that the intact pyridine adsorbs with the aromatic ring parallel to the surface. Piecewise interconnections of the local minima in the energy landscape reveal that the most favourable diffusion path for pyridine has a barrier of 0.53 eV. In the preferred path, the pyridine remains parallel to the surface while performing small single rotational steps with a carbon-carbon double bond hinged above a single Pt atom. The origin of the diffusion pathway is discussed in terms of the C 2 –Pt π-bond being stronger than the corresponding CN–Pt π-bond. The energy barrier and reaction enthalpy for dehydrogenation of adsorbed pyridine into an adsorbed, upright bound α-pyridyl species are calculated to 0.71 eV and 0.18 eV, respectively (both zero-point energy corrected). The calculations are used to rationalize previous experimental observations from the literature for pyridine on Pt(111).

  16. Methanol Adsorption and Reaction on Samaria Thin Films on Pt(111

    Directory of Open Access Journals (Sweden)

    Jin-Hao Jhang

    2015-09-01

    Full Text Available We investigated the adsorption and reaction of methanol on continuous and discontinuous films of samarium oxide (SmOx grown on Pt(111 in ultrahigh vacuum. The methanol decomposition was studied by temperature programmed desorption (TPD and infrared reflection absorption spectroscopy (IRRAS, while structural changes of the oxide surface were monitored by low-energy electron diffraction (LEED. Methanol dehydrogenates to adsorbed methoxy species on both the continuous and discontinuous SmOx films, eventually leading to the desorption of CO and H2 which desorbs at temperatures in the range 400–600 K. Small quantities of CO2 are also detected mainly on as-prepared Sm2O3 thin films, but the production of CO2 is limited during repeated TPD runs. The discontinuous film exhibits the highest reactivity compared to the continuous film and the Pt(111 substrate. The reactivity of methanol on reduced and reoxidized films was also investigated, revealing how SmOx structures influence the chemical behavior. Over repeated TPD experiments, a SmOx structural/chemical equilibrium condition is found which can be approached either from oxidized or reduced films. We also observed hydrogen absence in TPD which indicates that hydrogen is stored either in SmOx films or as OH groups on the SmOx surfaces.

  17. Reaction of ethane with deuterium over platinum(111) single-crystal surfaces

    International Nuclear Information System (INIS)

    Zaera, F.; Somorhai, G.A.

    1985-01-01

    Deuterium exchange and hydrogenolysis of ethane were studied over (111) platinum surfaces under atmospheric pressures and a temperature range of 475-625 K. Activation energies of 19 kcal/mol for exchange and 34 kcal/mol for hydrogenolysis were obtained. The exchange reaction rates displayed kinetic orders with respect to deuterium and ethane partial pressures of -0.55 and 1.2, respectively. The exchange production distribution was U-shaped, peaking at one and six deuterium atoms per ethane molecule, similar to results reported for other forms of platinum, e.g., supported, films, and foils. The pressure of ethylidyne moieties on the surface was inferred from low-energy electron diffraction and thermal desorption spectroscopy. A mechanism is proposed to explain the experimental results, in which ethylidyne constitutes an intermediate in one of two competitive pathways. 31 references, 9 figures, 3 tables

  18. Surface Geometry and Chemistry of Hydrothermally Synthesized Single Crystal Thorium Dioxide

    Science.gov (United States)

    2015-03-01

    Atmospheric Adsorbents ...............61 4.2.3 Heating Changes the Quantity of Charge on the ThO2 Surface ..................63 4.2.4 Humidity ...The Th peaks at 675 K during the heating phase of the 2nd sequence.. .................... 68 29. Adhesion force as a function of relative humidity ...The crystal used in this experiment was grown by hydrothermal growth techniques via spontaneous nucleation . The experiment was conducted on crystal

  19. Single crystal studies of platinum alloys for oxygen reduction electrodes

    DEFF Research Database (Denmark)

    Ulrikkeholm, Elisabeth Therese

    /Pt(111) in the following. The prepared alloys were investigate using Low Energy Electron Diffraction (LEED), Xray Photoelectron Spectroscopy (XPS), Ion Scattering Spectroscopy (ISS) and temperature Programmed Desorption (TPD). The LEED pattern indicated that the Y/Pt(111) sample had formed a 1...... peaks with a large shift towards lower temperatures. The change in desorption temperature was ∆T = −180°C for the Y/Pt(111) sample and ∆T = −200°C for the Gd/Pt(111) sample. The ORR activity was measured showing a large enhancement for both alloys. Angle resolved XPS performed on the samples after.......89×1.89 structure, and the Gd/Pt(111) sample has formed a 1.90×1.90 structure compared to pure platinum. From the XPS measurements, it is most likely that alloys with the Pt5Y and Pt5Gd stoichiometry have been formed. The reactivity of the surfaces were probed using TPD. These measurements showed sharp desorption...

  20. Atomic imaging of an InSe single-crystal surface with atomic force microscope

    OpenAIRE

    Uosaki, Kohei; Koinuma, Michio

    1993-01-01

    The atomic force microscope was employed to observed in air the surface atomic structure of InSe, one of III-VI compound semiconductors with layered structures. Atomic arrangements were observed in both n-type and p-type materials. The observed structures are in good agreement with those expected from bulk crystal structures. The atomic images became less clear by repeating the imaging process. Wide area imaging after the imaging of small area clearly showed that a mound was created at the sp...

  1. Ion bombardment induced surface topography modification of clean and contaminated single crystal Cu and Si

    International Nuclear Information System (INIS)

    Lewis, G.W.; Kiriakides, G.; Carter, G.; Nobes, M.J.

    1982-01-01

    Among the several factors which lead to depth resolution deterioration during sputter profiling, surface morphological modification resulting from local differences of sputtering rate can be important. This paper reports the results of direct scanning, electron microscopic studies obtained quasi-dynamically during increasing fluence ion bombardment of the evolution of etch pit structures on Si and Cu, and how such elaboration may be suppressed. It also reports on the elaboration of contaminant-induced cone generation for different ion species bombardment. The influence of such etch pit and cone generation on achievable depth resolution is assessed. (author)

  2. Annealing and surface conduction on Hydrogen peroxide treated bulk melt-grown, single crystal ZnO

    International Nuclear Information System (INIS)

    Mtangi, W.; Nel, J.M.; Auret, F.D.; Chawanda, A.; Diale, M.; Nyamhere, C.

    2012-01-01

    We report on the studies carried out on hydrogen peroxide treated melt-grown, bulk single crystal ZnO samples. Results show the existence of two shallow donors in the as-received ZnO samples with energy levels (37.8±0.3) meV that has been suggested as Zn i related and possibly H-complex related and (54.5±0.9) meV, which has been assigned to an Al-related donor. Annealing studies performed on the hydrogen peroxide treated samples reveal the existence of a conductive channel in the samples in which new energy levels have been observed, Zn vacancies, related to the Group I elements, X Zn . The surface donor volume concentration of the conductive channel was calculated from a theory developed by Look (2007) . Results indicate an increase in the surface volume concentration with increasing annealing temperature from 60×10 17 cm −3 at 200 °C to 4.37×10 18 cm -3 at 800 °C.

  3. Annealing and surface conduction on Hydrogen peroxide treated bulk melt-grown, single crystal ZnO

    Energy Technology Data Exchange (ETDEWEB)

    Mtangi, W., E-mail: wilbert.mtangi@up.ac.za [University of Pretoria, Physics Department, Pretoria 0002 (South Africa); Nel, J.M.; Auret, F.D.; Chawanda, A.; Diale, M. [University of Pretoria, Physics Department, Pretoria 0002 (South Africa); Nyamhere, C. [Nelson Mandela Metropolitan University, Physics Department, P.O. Box 77000, Port Elizabeth 6031 (South Africa)

    2012-05-15

    We report on the studies carried out on hydrogen peroxide treated melt-grown, bulk single crystal ZnO samples. Results show the existence of two shallow donors in the as-received ZnO samples with energy levels (37.8{+-}0.3) meV that has been suggested as Zn{sub i} related and possibly H-complex related and (54.5{+-}0.9) meV, which has been assigned to an Al-related donor. Annealing studies performed on the hydrogen peroxide treated samples reveal the existence of a conductive channel in the samples in which new energy levels have been observed, Zn vacancies, related to the Group I elements, X{sub Zn}. The surface donor volume concentration of the conductive channel was calculated from a theory developed by Look (2007) . Results indicate an increase in the surface volume concentration with increasing annealing temperature from 60 Multiplication-Sign 10{sup 17} cm{sup -3} at 200 Degree-Sign C to 4.37 Multiplication-Sign 10{sup 18} cm{sup -3} at 800 Degree-Sign C.

  4. Change of the work function and potential barrier transparency of W(100) and GaAs(110) single crystals during removing the inherent surface oxide layer

    International Nuclear Information System (INIS)

    Asalkhanov, Yu.I.; Saneev, Eh.L.

    2002-01-01

    Changes of current voltage characteristics of slow monoenergetic electron beam through the surfaces of W(100) and GaAs(100) single crystals have been measured in the process of surface oxide layers elimination. It is shown that work function is decreased and transparency coefficient of surface potential barrier is increased under increasing the temperature of vacuum annealing. Peculiarities of surface potential change under oxide layer elimination in metals and semiconductors are discussed [ru

  5. Growth, structure, Hirshfeld surface and spectroscopic properties of 2-amino-4-hydroxy-6-methylpyrimidinium-2,3-pyrazinedicorboxylate single crystal

    Science.gov (United States)

    Faizan, Mohd; Alam, Mohammad Jane; Afroz, Ziya; Rodrigues, Vítor Hugo Nunes; Ahmad, Shabbir

    2018-03-01

    The present work is focused on the crystal structure, vibrational spectroscopy and DFT calculations of hydrogen bonded 2,3-pyrazinedicorboxylic acid and 2-amino-4-hydroxy-6-methylpyrimidine (PDCA-.AHMP+) crystal. The crystal structure has been determined using single crystal X-ray diffraction analysis which shows that the crystal belongs to monoclinic space group P21/n. The PDCA-.AHMP+ crystal has been characterized by FTIR, FT-Raman and FT-NMR spectroscopic techniques. The FTIR and FT-Raman spectra of the complex have unique spectroscopic feature as compared with those of the starting material to confirm salt formation. The theoretical vibrational studies have been performed to understand the modes of the vibrations of asymmetric unit of the complex by DFT methods. Hirschfeld surface and 2D fingerprint plots analyses were carried out to investigate the intermolecular interactions and its contribution in the building of PDCA-.AHMP+ crystal. The experimental and simulated 13C and 1H NMR studies have assisted in structural analysis of PDCA-.AHMP+ crystal. The electronic spectroscopic properties of the complex were explored by the experimental as well as theoretical electronic spectra simulated using TD-DFT/IEF-PCM method at B3LYP/6-311++G (d,p) level of theory. In addition, frontier molecular orbitals, molecular electrostatic potential map (MEP) and nonlinear optical (NLO) properties using DFT method have been also presented.

  6. The nature of the Pt(111)/α -Fe2O3(0001) interfaces revealed by DFT calculations

    Science.gov (United States)

    Mahmoud, Agnes; Deleuze, Pierre-Marie; Dupont, Céline

    2018-05-01

    Density functional theory calculations are performed to give a thorough description of structural, energetic, and electronic properties of Pt(111)/α-Fe2O3(0001) systems by spin-polarized calculations, accounting for the on-site Coulomb interaction. Toward the better understanding of Pt(111)/α-Fe2O3(0001) interfaces, two terminations of α-Fe2O3(0001) surface, namely, the single Fe- and the O3-termination, are considered and coupled with the four possible (top, hcp, fcc, and bridge) sites on Pt(111). The effect of the strain on clean hematite surfaces due to the lattice mismatch between the substrate and the overlayer is included in the analysis. Among the possible adsorption configurations, bridge sites are unstable, while the most favorable configurations are the ones at hollow sites. The stability of the interfaces is not only influenced by the termination of the overlayer but also influenced by the degree of its structural relaxation and the relative position of the first layer of O atoms in hematite with respect to Pt. To elucidate the different nature of the two terminations of the overlayer on Pt, projected density of states and 3D charge density difference plots are also discussed.

  7. Investigating the coverage dependent behaviour of CO on Gd/Pt(111)

    DEFF Research Database (Denmark)

    Ulrikkeholm, Elisabeth Therese; Hansen, Martin Hangaard; Rossmeisl, Jan

    2016-01-01

    diffraction (LEED), showing that a highly ordered crystal structure had appeared. To study the molecular dynamics on this surface a detailed study of the CO adsorption on the surface was conducted using temperature programmed desorption (TPD) of CO. The TPD spectra show a desorption peak shifted down...... in temperature compared to those of pure Pt(111). The shape of the desorption peak and the desorption temperature were shown to be strongly dependent on the CO coverage of the surface. A systematic investigation of CO desorption temperature as a function of coverage was consequently performed. A simple...... simulation of the TPD spectra was carried out, based on adsorption energies from density functional theory (DFT). This simulation reproduces the shift and the narrowing of the desorption spectrum from the experiments and the DFT calculations suggest that the sharp TPD feature arises from cooperative...

  8. Investigations into the Surface Strain/Stress State in a Single-Crystal Superalloy via XRD Characterization

    Directory of Open Access Journals (Sweden)

    Haodong Duan

    2018-05-01

    Full Text Available The present study was aimed at determining the surface strain/stress state in an Ni-based single-crystal (SC superalloy that was subjected to two different cooling rates from solid solution temperature through using the X-ray diffraction (XRD method. The normal stresses σ 11 s and σ 22 s were determined, then the Von Mises stresses ( σ V M s were derived from them. Field emission gun scanning electron microscope (FEG-SEM and transmission electron microscope (TEM micrographs were taken to illustrate the strain/stress state change. The precipitation of the secondary γ′ phases in the γ phase and the formation of the dislocation in the interphase upon a slower cooling rate caused the γ phase lattice distortion to increase, so a larger σ V M s of the γ phase was realized in comparison to the faster cooling sample. For both of the two cooling modes, we found that the σ V M s of the γ′ phase increased due to the growth of the γ′ phase during the aging process. Also, the aging process led to pronouncedly anisotropic lattice mismatches in the {331} and {004} planes. In addition, the surface strain/stress states of a cylinder sample and a tetragonal sample were also studied using a faster cooling rate, and σ 11 s and σ 22 s were analyzed to explain the influence of the shape factor on the stress anisotropy in the [001] and [ 1 1 ¯ 0 ] orientations. The strain in the [001] orientation of the γ phase is more sensitive to the shape change.

  9. Molecular dynamics simulations of adsorption and diffusion of Xe on bare and Xe covered Pt(111)

    NARCIS (Netherlands)

    Jong, de F.; Jansen, A.P.J.

    1994-01-01

    Molecular dynamics simulations are used to calculate adsorption probabilities and diffusion coefficients of Xe on Pt(111) and Xe/Pt(111). Experimental trends are reproduced. The adsorption mechanism is found to be the modified Kisliuk model, with the addition of direct and indirect insertion in the

  10. H2O on Pt(111): structure and stability of the first wetting layer

    International Nuclear Information System (INIS)

    Standop, Sebastian; Michely, Thomas; Busse, Carsten; Morgenstern, Markus

    2012-01-01

    We study the structure and stability of the first water layer on Pt(111) by variable-temperature scanning tunneling microscopy. We find that a high Pt step edge density considerably increases the long-range order of the equilibrium √(37)×√(37)R25.3°- and √(39)×√(39)R16.1°-superstructures, presumably due to the capability of step edges to trap residual adsorbates from the surface. Passivating the step edges with CO or preparing a flat metal surface leads to the formation of disordered structures, which still show the same structural elements as the ordered ones. Coadsorption of Xe and CO proves that the water layer covers the metal surface completely. Moreover, we determine the two-dimensional crystal structure of Xe on top of the chemisorbed water layer which exhibits an Xe-Xe distance close to the one in bulk Xe and a rotation angle of 90° between the close-packed directions of Xe and the close-packed directions of the underlying water layer. CO is shown to replace H 2 O on the Pt(111) surface as has been deduced previously. In addition, we demonstrate that tunneling of electrons into the antibonding state or from the bonding state of H 2 O leads to dissociation of the molecules and a corresponding reordering of the adlayer into a √3×√3R30°-structure. Finally, a so far not understood restructuring of the adlayer by an increased tunneling current has been observed. (paper)

  11. Controlling hydrogenation activity and selectivity of bimetallic surfaces and catalysts

    Science.gov (United States)

    Murillo, Luis E.

    Studies of bimetallic systems are of great interest in catalysis due to the novel properties that they often show in comparison with the parent metals. The goals of this dissertation are: (1) to expand the studies of self-hydrogenation and hydrogenation reactions on bimetallic surfaces under ultra high vacuum conditions (UHV) using different hydrocarbon as probe molecules; (2) to attempt to correlate the surface science findings with supported catalyst studies under more realistic conditions; and (3) to investigate the competitive hydrogenation of C=C versus C=O bonds on Pt(111) modified by different 3d transition metals. Hydrogenation studies using temperature programmed desorption (TPD) on Ni/Pt(111) bimetallic surfaces have demonstrated an enhancement in the low temperature hydrogenation activity relative to that of clean Pt(111). This novel hydrogenation pathway can be achieved under UHV conditions by controlling the structures of the bimetallic surfaces. A low temperature hydrogenation activity of 1-hexene and 1-butene has been observed on a Pt-Ni-Pt(111) subsurface structure, where Ni atoms are mainly present on the second layer of the Pt(111) single crystal. These results are in agreement with previous studies of self-hydrogenation and hydrogenation of cyclohexene. However, a much higher dehydrogenation activity is observed in the reaction of cyclohexene to produce benzene, demonstrating that the hydrocarbon structure has an effect on the reaction pathways. On the other hand, self-hydrogenation of 1-butene is not observed on the Pt-Ni-Pt(111) surface, indicating that the chain length (or molecular weight) has a significant effect on the selfhydrogenation activity. The gas phase reaction of cyclohexene on Ni/Pt supported on alumina catalysts has also shown a higher self-hydrogenation activity in comparison with the same reaction performed on supported monometallic catalysts. The effects of metal loading and impregnation sequence of the metal precursors are

  12. Simulating Linear Sweep Voltammetry from First-Principles: Application to Electrochemical Oxidation of Water on Pt(111) and Pt3Ni(111)

    DEFF Research Database (Denmark)

    Viswanathan, Venkatasubramanian; Hansen, Heine Anton; Rossmeisl, Jan

    2012-01-01

    Cyclic voltammetry is a fundamental experimental method for characterizing adsorbates on electrochemical surfaces. We present a model for the electrochemical solid–liquid interface, and we simulate the linear sweep voltammogram of the electrochemical oxidation of H2O on Pt(111) and Pt3Ni(111...

  13. Catalytic Hydrogenation and Hydrodeoxygenation of Furfural over Pt(111): A Model System for the Rational Design and Operation of Practical Biomass Conversion Catalysts

    OpenAIRE

    Taylor, Martin J.; Jiang, Li; Reichert, Joachim; Papageorgiou, Anthoula C.; Beaumont, Simon K.; Wilson, Karen; Lee, Adam F.; Barth, Johannes V.; Kyriakou, Georgios

    2017-01-01

    Furfural is a key bioderived platform chemical whose reactivity under hydrogen atmospheres affords diverse chemical intermediates. Here, temperature-programmed reaction spectrometry and complementary scanning tunneling microscopy (STM) are employed to investigate furfural adsorption and reactivity over a Pt(111) model catalyst. Furfural decarbonylation to furan is highly sensitive to reaction conditions, in particular, surface crowding and associated changes in the adsorption geometry: furfur...

  14. Defect free single crystal thin layer

    KAUST Repository

    Elafandy, Rami Tarek Mahmoud

    2016-01-28

    A gallium nitride film can be a dislocation free single crystal, which can be prepared by irradiating a surface of a substrate and contacting the surface with an etching solution that can selectively etch at dislocations.

  15. Defect free single crystal thin layer

    KAUST Repository

    Elafandy, Rami Tarek Mahmoud; Ooi, Boon S.

    2016-01-01

    A gallium nitride film can be a dislocation free single crystal, which can be prepared by irradiating a surface of a substrate and contacting the surface with an etching solution that can selectively etch at dislocations.

  16. (110)-Textured Ca-doped BiFeO_3 film on refined Pt(111) electrode layer on glass substrate at reduced temperature

    International Nuclear Information System (INIS)

    Chang, H.W.; Shen, C.Y.; Yuan, F.T.; Tien, S.H.; Lin, S.Y.; Chen, W.A.; Wang, C.R.; Tu, C.S.; Jen, S.U.

    2016-01-01

    Multiferroic and photovoltaic properties of polycrystalline Bi_0_._8_5Ca_0_._1_5FeO_3 (BCFO) film on refined Pt(111) electrode buffered glass substrate have been studied. Optimized Pt(111) electrode layer having large grain size and smooth morphology enables the development of highly (110)-textured BCFO film at a temperature as low as 450 °C. The prepared BCFO film has dense microstructure, fine grain size, and smooth surface morphology. Good ferroelectric properties with the remanent polarization (2P_r) of 108 μC/cm"2 and electrical coercive field of 405 kV/cm are achieved. Improved ferromagnetic properties with magnetization of 9.2 emu/cm"3 and coercivity of 1250 Oe are also attained. Significant PV properties with open-circuit photovoltage of 0.49 V and the short-circuit photocurrent of 67.4 μA/cm"2 at illumination intensity of 228 mW/cm"2 are observed, which are comparable to BCFO ceramics or BFO epitaxial films. - Highlights: • BCFO polycrystalline film with (110) texture is formed on Pt(111) electrode. • Pt(111) underlayer induces BCFO(110) film with fine grain and flat surface. • Good multiferroic and photovoltaic properties are achieved simultaneously. • Improved multiferroic and photovoltaic properties makes BCFO film a multifunctional material for advanced applications.

  17. Effect of KrF excimer laser irradiation on the surface changes and photoelectric properties of ZnO single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, Yong [Institute of Laser Engineering, Beijing University of Technology, Beijing 100124 (China); Beijing Engineering Research Center of 3D Printing for Digital Medical Health, Beijing International Cooperation Base of 3D Printing for Digital MedicalHealth, Beijing University of Technology, Beijing 100124 (China); Zhao, Yan [Institute of Laser Engineering, Beijing University of Technology, Beijing 100124 (China); Jiang, Yijian, E-mail: yjjiang@bjut.edu.cn [Institute of Laser Engineering, Beijing University of Technology, Beijing 100124 (China); Beijing Engineering Research Center of 3D Printing for Digital Medical Health, Beijing International Cooperation Base of 3D Printing for Digital MedicalHealth, Beijing University of Technology, Beijing 100124 (China)

    2016-06-25

    In this paper, the effect of KrF pulsed excimer laser irradiation on the structural, surface morphology, photoluminescence and electrical properties of ZnO single crystal was investigated. Compared to the as-grown sample, at an irradiation energy density of 257 mJ/cm{sup 2}, the ZnO single crystal exhibits a series of phenomenon: XRD and Raman results show that the crystallization of ZnO quality change slightly, resistivity is decreased by two orders of magnitude, carrier concentration is increased by one order of magnitude. After laser irradiation, the surface shows some strip lines and no cracks. Formula calculation and simulation results show that the stripes are not caused by surface melting. We speculate that these stripes are caused by the precipitation of ZnO material inside to the surface. Due to the reduction of oxygen vacancies, UV emission has been enhanced and visible emission has been declined after irradiation. After the laser irradiation, the visible light of ZnO surface can be regulated. The experimental results show that KrF laser irradiation could effectively improve the optical and electrical properties of ZnO single crystal, which is important for the application of high performance of emitting optoelectronic devices. - Highlights: • After laser irradiation, the surface shows some strip lines and no cracks. • The visible light of as-irradiated ZnO surface can be regulated to four colors. • The electrical properties of as-irradiated ZnO has been improved greatly.

  18. Room temperature magnetism of few-nanometers-thick Fe{sub 3}O{sub 4}(111) films on Pt(111) and Ru(0001) studied in ambient conditions

    Energy Technology Data Exchange (ETDEWEB)

    Lewandowski, M., E-mail: lewandowski@amu.edu.pl [NanoBioMedical Centre, Adam Mickiewicz University, Umultowska 85, 61-614 Poznań (Poland); Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań (Poland); Miłosz, Z.; Michalak, N.; Ranecki, R. [Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań (Poland); Sveklo, I.; Kurant, Z.; Maziewski, A. [Faculty of Physics, University of Białystok, Lipowa 41, 15-424 Białystok (Poland); Mielcarek, S. [Faculty of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznań (Poland); Luciński, T. [Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań (Poland); Jurga, S. [NanoBioMedical Centre, Adam Mickiewicz University, Umultowska 85, 61-614 Poznań (Poland)

    2015-09-30

    Few-nanometers-thick Fe{sub 3}O{sub 4}(111) films were epitaxially grown on Pt(111) and Ru(0001) single crystal supports by sequential iron deposition and oxidation in an ultra-high vacuum chamber. The growth of well-ordered magnetite films was confirmed by low energy electron diffraction. The films were covered with a protective Au layer and subjected to magnetic and structural studies in ambient conditions. Magnetic hysteresis loops, recorded using magneto-optical Kerr effect apparatus, confirmed magnetic ordering in both films at room temperature. The Kerr measurements indicated in-plane orientation of magnetization, which was supported by the lack of magnetic contrast in magnetic force microscopy images. Atomic force microscopy revealed significant differences in morphology of the films, tentatively attributed to different lattice mismatch with Pt(111) and Ru(0001) single crystal supports. - Highlights: • Few-nanometers-thick Fe{sub 3}O{sub 4}(111) films were grown on Pt(111) and Ru(0001). • Magnetic properties were studied using MOKE and AFM/MFM in ambient conditions. • The films exhibited in-plane magnetic ordering at room temperature. • Differences in magnetic properties were tentatively assigned to structural differences.

  19. Promotion of the oxidation of carbon monoxide at stepped platinum single-crystal electrodes in alkaline media by lithium and beryllium cations.

    Science.gov (United States)

    Stoffelsma, Chantal; Rodriguez, Paramaconi; Garcia, Gonzalo; Garcia-Araez, Nuria; Strmcnik, Dusan; Marković, Nenad M; Koper, Marc T M

    2010-11-17

    The role of alkali cations (Li(+), Na(+), K(+), Cs(+), and Be(2+)) on the blank voltammetric response and the oxidative stripping of carbon monoxide from stepped Pt single-crystal electrodes in alkaline media has been investigated by cyclic voltammetry. A strong influence of the nature of the cation on both the blank voltammetric profile and the CO oxidation is observed and related to the influence of the cation on the specific adsorption of OH on the platinum surface. Especially Li(+) and Be(2+) cations markedly affect the adsorption of OH and thereby have a significant promoting effect on CO(ads) oxidation. The voltammetric experiments suggest that, on Pt(111), the influence of Li(+) (and Be(2+)) is primarily through a weakening of the repulsive interactions between the OH in the OH adlayer, whereas in the presence of steps also, the onset of OH adsorption is at a lower potential, both on steps and on terraces.

  20. A bonding study of c-C5H8 adsorption on Pt(111)

    International Nuclear Information System (INIS)

    Simonetti, S.; Jasen, P.; Gonzalez, E.; Juan, A.; Brizuela, G.

    2006-01-01

    The chemisorption of cyclopentane (c-C 5 H 8 ) on Pt(111) has been studied using a qualitative band-structure calculations in the framework of tight-binding implementation with the YAeHMOP package. We modeled the metal surface by a two-dimensional slab of finite thickness with an overlayer of c-C 5 H 8 , in a (3x3) di-σ geometry. The c-C 5 H 8 molecule is attached to the surface with its C?C atoms bonded mainly with two Pt atoms while the opposite CH 2 bends towards the surface. The Pt?Pt bonds in the underlying surface and the C?C bonds of c-C 5 H 8 are weakened upon the chemisorption. A noticeable Pt-H and Pt-C interactions has been observed. We found that of Pt 5d z 2 band plays an important role in the bonding between c-C 5 H 8 and the surface, as do the Pt 6s and 6p z bands. The HOMO-LUMO bands of c-C 5 H 8 are very dispersed, indicative of a strong interaction with the metal surface

  1. Surface Brillouin scattering measurement of the elastic constants of single crystal InAs{sub 0.91}Sb{sub 0.09}

    Energy Technology Data Exchange (ETDEWEB)

    Kotane, L M; Comins, J D; Every, A G [Materials Physics Research Institute, School of Physics, University of the Witwatersrand, Johannesburg, Wits 2050 (South Africa); Botha, J R, E-mail: Lesias.Kotane@wits.ac.z [Department of Physics, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa)

    2011-01-01

    Surface Brillouin scattering of light has been used to measure the angular dependence of the Rayleigh surface acoustic wave (SAW), pseudo surface acoustic wave (PSAW) and longitudinal lateral wave (LLW) speeds in a (100)-oriented single crystal of the ternary semiconductor alloy InAs{sub 0.91}Sb{sub 0.09}. The wave speed measurements have been used to determine the room temperature values of the elastic constants C{sub 11}, C{sub 12} and C{sub 44} of the alloy. A simple and robust fitting procedure has been implemented for recovering the elastic constants, in which the merit function is constructed from explicit secular functions that determine the surface and lateral wave speeds in the [001] and [011] crystallographic directions. In the fitting, relatively larger weighting factors have been assigned to the SAW and PSAW data because of the greater precision with which the surface modes can be measured as compared with the lateral wave.

  2. Surface Brillouin scattering measurement of the elastic constants of single crystal InAs0.91Sb0.09

    International Nuclear Information System (INIS)

    Kotane, L M; Comins, J D; Every, A G; Botha, J R

    2011-01-01

    Surface Brillouin scattering of light has been used to measure the angular dependence of the Rayleigh surface acoustic wave (SAW), pseudo surface acoustic wave (PSAW) and longitudinal lateral wave (LLW) speeds in a (100)-oriented single crystal of the ternary semiconductor alloy InAs 0.91 Sb 0.09 . The wave speed measurements have been used to determine the room temperature values of the elastic constants C 11 , C 12 and C 44 of the alloy. A simple and robust fitting procedure has been implemented for recovering the elastic constants, in which the merit function is constructed from explicit secular functions that determine the surface and lateral wave speeds in the [001] and [011] crystallographic directions. In the fitting, relatively larger weighting factors have been assigned to the SAW and PSAW data because of the greater precision with which the surface modes can be measured as compared with the lateral wave.

  3. Making channeling visible: keV noble gas ion trails on Pt(111)

    Energy Technology Data Exchange (ETDEWEB)

    Redinger, A; Standop, S; Michely, T [II Physikalisches Institut, Universitaet zu Koeln, D-50937 Koeln (Germany); Rosandi, Y; Urbassek, H M, E-mail: urbassek@rhrk.uni-kl.de [Fachbereich Physik und Forschungszentrum OPTIMAS, Universitaet Kaiserslautern, Erwin-Schroedinger-Strasse, D-67663 Kaiserslautern (Germany)

    2011-01-15

    The impact of argon and xenon noble gas ions on Pt(111) in grazing incidence geometry are studied through direct comparison of scanning tunneling microscopy images and molecular dynamics simulations. The energy range investigated is 1-15 keV and the angles of incidence with respect to the surface normal are between 78.5{sup 0} and 88{sup 0}. The focus of the paper is on events where ions gently enter the crystal at steps and are guided in channels between the top most layers of the crystal. The trajectories of the subsurface channeled ions are visible as trails of surface damage. The mechanism of trail formation is analyzed using simulations and analytical theory. Significant differences between Xe{sup +} and Ar{sup +} projectiles in damage, in the onset energy of subsurface channeling as well as in ion energy dependence of trail length and appearance are traced back to the projectile and ion energy dependence of the stopping force. The asymmetry of damage production with respect to the ion trajectory direction is explained through the details of the channel shape and subchannel structure as calculated from the continuum approximation of the channel potential. Measured and simulated channel switching in directions normal and parallel to the surface as well as an increase of ions entering into channels from the perfect surface with increasing angles of incidence are discussed.

  4. Angle resolved photoelectron distribution of the 1{pi} resonance of CO/Pt(111)

    Energy Technology Data Exchange (ETDEWEB)

    Haarlammert, Thorben; Wegner, Sebastian; Tsilimis, Grigorius; Zacharias, Helmut [Physikalisches Institut, Westfaelische Wilhelms Universitaet, Muenster (Germany); Golovin, Alexander [Institute of Physics, St. Petersburg State University (Russian Federation)

    2009-07-01

    The CO 1{pi} level of a c(4 x 2)-2CO/Pt(111) reconstruction shows a significant resonance when varying the photon energy between h{nu}=23 eV and h{nu}=48 e V. This resonance has not been observed in gas phase measurements or on the Pt(1 10) surface. To investigate the photoelectron distribution of the 1{pi} level high harmonic radiaton has been used. By conversion in rare gases like argon, neon, or helium photon energies of up to 100 eV have been generated at repetition r ates of up to 10 kHz. The single harmonics have been separated and focused by a toroidal grating and directed to the sample surface. A time-of-flight detector with multiple anodes registers the kinetic energies of the emitted photoelectrons and enables the simultaneous detection of multiple emission angles. The angular distributions of photoelectrons emitted from the CO 1{pi} level have been measured for a variety of initial photon energies. Further the angular distributions of the CO 1{pi} level photoelectrons emitted from a CO-Pt{sub 7} cluster have been calculated using the MSX{alpha}-Method which shows good agreement with the ex perimental data.

  5. Confined Catalysis in the g-C3N4/Pt(111) Interface: Feasible Molecule Intercalation, Tunable Molecule-Metal Interaction, and Enhanced Reaction Activity of CO Oxidation.

    Science.gov (United States)

    Wang, Shujiao; Feng, Yingxin; Yu, Ming'an; Wan, Qiang; Lin, Sen

    2017-09-27

    The deposition of a two-dimensional (2D) atomic nanosheet on a metal surface has been considered as a new route for tuning the molecule-metal interaction and surface reactivity in terms of the confinement effect. In this work, we use first-principles calculations to systematically explore a novel nanospace constructed by placing a 2D graphitic carbon nitride (g-C 3 N 4 ) nanosheet over a Pt(111) surface. The confined catalytic activity in this nanospace is investigated using CO oxidation as a model reaction. With the inherent triangular pores in the g-C 3 N 4 overlayer being taken advantage of, molecules such as CO and O 2 can diffuse to adsorb on the Pt(111) surface underneath the g-C 3 N 4 overlayer. Moreover, the mechanism of intercalation is also elucidated, and the results reveal that the energy barrier depends mainly on the properties of the molecule and the channel. Importantly, the molecule-catalyst interaction can be tuned by the g-C 3 N 4 overlayer, considerably reducing the adsorption energy of CO on Pt(111) and leading to enhanced reactivity in CO oxidation. This work will provide important insight for constructing a promising nanoreactor in which the following is observed: The molecule intercalation is facile; the molecule-metal interaction is efficiently tuned; the metal-catalyzed reaction is promoted.

  6. High field electron paramagnetic resonance spectroscopy under ultrahigh vacuum conditions—A multipurpose machine to study paramagnetic species on well defined single crystal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Rocker, J.; Cornu, D.; Kieseritzky, E.; Hänsel-Ziegler, W.; Freund, H.-J. [Fritz-Haber-Institut der MPG, Faradayweg 4-6, 14195 Berlin (Germany); Seiler, A. [Fritz-Haber-Institut der MPG, Faradayweg 4-6, 14195 Berlin (Germany); Laboratorium für Applikationen der Synchrotronstrahlung, KIT Campus Süd, Kaiserstr. 12, 76131 Karlsruhe (Germany); Bondarchuk, O. [Fritz-Haber-Institut der MPG, Faradayweg 4-6, 14195 Berlin (Germany); CIC energiGUNE, Parque Tecnologico, C/Albert Einstein 48, CP 01510 Minano (Alava) (Spain); Risse, T., E-mail: risse@chemie.fu-berlin.de [Fritz-Haber-Institut der MPG, Faradayweg 4-6, 14195 Berlin (Germany); Institut für Chemie und Biochemie, Freie Universität Berlin, Takustr. 3, 14195 Berlin (Germany)

    2014-08-01

    A new ultrahigh vacuum (UHV) electron paramagnetic resonance (EPR) spectrometer operating at 94 GHz to investigate paramagnetic centers on single crystal surfaces is described. It is particularly designed to study paramagnetic centers on well-defined model catalysts using epitaxial thin oxide films grown on metal single crystals. The EPR setup is based on a commercial Bruker E600 spectrometer, which is adapted to ultrahigh vacuum conditions using a home made Fabry Perot resonator. The key idea of the resonator is to use the planar metal single crystal required to grow the single crystalline oxide films as one of the mirrors of the resonator. EPR spectroscopy is solely sensitive to paramagnetic species, which are typically minority species in such a system. Hence, additional experimental characterization tools are required to allow for a comprehensive investigation of the surface. The apparatus includes a preparation chamber hosting equipment, which is required to prepare supported model catalysts. In addition, surface characterization tools such as low energy electron diffraction (LEED)/Auger spectroscopy, temperature programmed desorption (TPD), and infrared reflection absorption spectroscopy (IRAS) are available to characterize the surfaces. A second chamber used to perform EPR spectroscopy at 94 GHz has a room temperature scanning tunneling microscope attached to it, which allows for real space structural characterization. The heart of the UHV adaptation of the EPR experiment is the sealing of the Fabry-Perot resonator against atmosphere. To this end it is possible to use a thin sapphire window glued to the backside of the coupling orifice of the Fabry Perot resonator. With the help of a variety of stabilization measures reducing vibrations as well as thermal drift it is possible to accumulate data for a time span, which is for low temperature measurements only limited by the amount of liquid helium. Test measurements show that the system can detect paramagnetic

  7. Guaiacol hydrodeoxygenation mechanism on Pt(111): insights from density functional theory and linear free energy relations.

    Science.gov (United States)

    Lee, Kyungtae; Gu, Geun Ho; Mullen, Charles A; Boateng, Akwasi A; Vlachos, Dionisios G

    2015-01-01

    Density functional theory is used to study the adsorption of guaiacol and its initial hydrodeoxygenation (HDO) reactions on Pt(111). Previous Brønsted-Evans-Polanyi (BEP) correlations for small open-chain molecules are inadequate in estimating the reaction barriers of phenolic compounds except for the side group (methoxy) carbon-dehydrogenation. New BEP relations are established using a select group of phenolic compounds. These relations are applied to construct a potential-energy surface of guaiacol-HDO to catechol. Analysis shows that catechol is mainly produced via dehydrogenation of the methoxy functional group followed by the CHx (x<3) removal of the functional group and hydrogenation of the ring carbon, in contrast to a hypothesis of a direct demethylation path. Dehydroxylation and demethoxylation are slow, implying that phenol is likely produced from catechol but not through its direct dehydroxylation followed by aromatic carbon-ring hydrogenation. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Broader energy distribution of CO adsorbed at polycrystalline Pt electrode in comparison with that at Pt(111) electrode in H_2SO_4 solution confirmed by potential dependent IR/visible double resonance sum frequency generation spectroscopy

    International Nuclear Information System (INIS)

    Yang, Shuo; Noguchi, Hidenori; Uosaki, Kohei

    2017-01-01

    Highlights: • Electrochemical SFG spectroscopy is an efficient in situ probe of electronic structure at electrochemical interface. • Electrooxidation performances of CO adsorbed on polycrystalline Pt and Pt(111) electrodes were compared. • The enhanced SFG signal of CO on Pt electrodes was observed due to a vibrational-electronic double resonance effect. • The broader energy distribution of 5sa state of CO on polycrystalline Pt than on Pt(111) is proved by SFG results. - Abstract: Electrochemical cyclic voltammetry and potential dependent double resonance sum frequency generation (DR-SFG) spectroscopy were performed on CO adsorbed on polycrystalline Pt and Pt(111) electrodes in H_2SO_4 solution to examine the effect of substrate on the electronic structure of CO. The dependence of SFG intensity on potential and visible energy for atop CO band was observed on both polycrystalline and single crystalline Pt electrodes. Enhancement of the SFG intensity was determined to be a direct result of a surface electronic resonance of the visible/SF light with the electronic transition from Fermi level of Pt to the 5σ_a anti-bonding state of adsorbed CO, in agreement with previous results. Interestingly, when compared to the Pt(111) electrode, the distribution width of the intensity enhancement region on polycrystalline Pt is broader than on Pt(111). This suggests that the energy distribution of the 5σ_a state of CO on polycrystalline Pt surface is broader than that on Pt(111) due to the complex surface structure of the polycrystalline Pt electrode.

  9. Synthesis of Ag nanobars in the presence of single-crystal seeds and a bromide compound, and their surface-enhanced Raman scattering (SERS) properties.

    Science.gov (United States)

    Zhang, Qiang; Moran, Christine H; Xia, Xiaohu; Rycenga, Matthew; Li, Naixu; Xia, Younan

    2012-06-19

    This Article describes the synthesis of Ag nanobars with different aspect ratios using a seed-mediated method and evaluation of their use for surface-enhanced Raman scattering (SERS). The formation of Ag nanobars was found to critically depend on the introduction of a bromide compound into the reaction system, with ionic salts being more effective than covalent molecules. We examined single-crystal seeds with both spherical and cubic shapes and found that Ag nanobars grown from spherical seeds had much higher aspect ratios than those grown from cubic seeds. The typical product of a synthesis contained nanocrystals with three different morphologies: nanocubes, nanobars with a square cross section, and nanobars with a rectangular cross section. Their formation can be attributed to the difference in growth rates along the three orthogonal directions. The SERS enhancement factor of the Ag nanobar was found to depend on its aspect ratio, its orientation relative to the laser polarization, and the wavelength of excitation.

  10. Catalytic Hydrogenation and Hydrodeoxygenation of Furfural over Pt(111): A Model System for the Rational Design and Operation of Practical Biomass Conversion Catalysts.

    Science.gov (United States)

    Taylor, Martin J; Jiang, Li; Reichert, Joachim; Papageorgiou, Anthoula C; Beaumont, Simon K; Wilson, Karen; Lee, Adam F; Barth, Johannes V; Kyriakou, Georgios

    2017-04-20

    Furfural is a key bioderived platform chemical whose reactivity under hydrogen atmospheres affords diverse chemical intermediates. Here, temperature-programmed reaction spectrometry and complementary scanning tunneling microscopy (STM) are employed to investigate furfural adsorption and reactivity over a Pt(111) model catalyst. Furfural decarbonylation to furan is highly sensitive to reaction conditions, in particular, surface crowding and associated changes in the adsorption geometry: furfural adopts a planar geometry on clean Pt(111) at low coverage, tilting at higher coverage to form a densely packed furfural adlayer. This switch in adsorption geometry strongly influences product selectivity. STM reveals the formation of hydrogen-bonded networks for planar furfural, which favor decarbonylation on clean Pt(111) and hydrogenolysis in the presence of coadsorbed hydrogen. Preadsorbed hydrogen promotes furfural hydrogenation to furfuryl alcohol and its subsequent hydrogenolysis to methyl furan, while suppressing residual surface carbon. Furfural chemistry over Pt is markedly different from that over Pd, with weaker adsorption over the former affording a simpler product distribution than the latter; Pd catalyzes a wider range of chemistry, including ring-opening to form propene. Insight into the role of molecular orientation in controlling product selectivity will guide the design and operation of more selective and stable Pt catalysts for furfural hydrogenation.

  11. Proline adsorption on TiO 2(1 1 0) single crystal surface: A study by high resolution photoelectron spectroscopy

    Science.gov (United States)

    Fleming, G. J.; Adib, K.; Rodriguez, J. A.; Barteau, M. A.; Idriss, H.

    2007-12-01

    The surface chemistry and binding of DL-proline were investigated on the oxidised (stoichiometric) and reduced (sub-stoichiometric) TiO 2(1 1 0) single crystal surfaces. TiO 2 was chosen as the substrate as it best represents the surface of a biomedical implant, which bio-molecules interact with during the healing of bone/teeth fractures (molecular recognition). High resolution X-ray photoelectron spectroscopy (HR-XPS) studies of the C1s and N1s regions revealed that DL-proline is present in two forms (dissociated and zwitterionic) on the oxidised TiO 2 surface. On TiO 2(1 1 0) surfaces reduced by Ar + sputtering, a significant increase in the amount of zwitterionic proline at the surface was detected when compared with the oxidised surface. Study of the temperature effect showed that in both cases the zwitterionic structure was the less stable structure. The reason for its relative instability appears to be thermodynamic.

  12. Local work-function changes of Pt(111) studied by STM and IRAS: coadsorption of Cl - with H 3O +, NO, and CO molecules

    Science.gov (United States)

    Fukushima, Takashi; Song, Moon-Bong; Ito, Masatoki

    2000-10-01

    The coadsorption of chloride anion (Cl -) with hydronium cation (H 3O +), nitrogen monoxide (NO), and carbon monoxide (CO) on Pt(111) was studied in an ultra-high-vacuum system using scanning tunneling microscopy (STM), infrared reflection absorption spectroscopy (IRAS), and low-energy electron diffraction (LEED). HCl molecules adsorbed on Pt(111) at 100 K form a (3×3) structure ( θCl -=0.44). Water adsorption on the 3×3 structure produces c(4×2)-(Cl -+H 3O +) coadsorption structures. The hydronium cation adsorbs through oxygen lone pair, and hydrogen bonding (OH…Cl) extends on the surface with these structures. Stretching absorption bands of NO (or CO) adsorbed on the 3×3-Cl - and c(4×2)-(Cl -+H 3O +) adlayers on Pt(111) show remarkably higher and lower frequency shifts, respectively. The frequency shifts can be explained by the local charge density states of platinum atoms derived from electron withdrawal or supply from the coadsorbates (Cl - or H 3O +) to platinum atoms.

  13. Tip-Dependent Scanning Tunneling Microscopy Imaging of Ultrathin FeO Films on Pt(111)

    DEFF Research Database (Denmark)

    Merte, Lindsay Richard; Grabow, Lars C.; Peng, Guowen

    2011-01-01

    High-resolution scanning tunneling microscope (STM) images of moiré-structured FeO films on Pt(111) were obtained in a number of different tip-dependent imaging modes. For the first time, the STM images are distinguished and interpreted unambiguously with the help of distinct oxygen...

  14. Tuning the Activity of Pt(111) for Oxygen Electroreduction by Subsurface Alloying

    DEFF Research Database (Denmark)

    Stephens, Ifan; Bondarenko, A.S.; Perez-Alonso, F.J.

    2011-01-01

    To enable the development of low temperature fuel cells, significant improvements are required to the efficiency of the Pt electrocatalysts at the cathode, where oxygen reduction takes place. Herein, we study the effect of subsurface solute metals on the reactivity of Pt, using a Cu/Pt(111) near-...

  15. PtxGd alloy formation on Pt(111): Preparation and structural characterization

    DEFF Research Database (Denmark)

    Ulrikkeholm, Elisabeth Therese; Pedersen, Anders Filsøe; Vej-Hansen, Ulrik Grønbjerg

    2016-01-01

    (ring operator)C. The LEED and synchrotron XRD experiments have shown that a slightly compressed (2 ×2) alloy appear. The alloy film followed the orientation of the Pt(111) substrate half the time, otherwise it was rotated by 30(ring operator). The TPD spectra show a well-defined peak shifted down 200...

  16. Molecular dynamics study of the coverage dependence of Xe desorption from Pt(111)

    NARCIS (Netherlands)

    Jansen, A.P.J.

    1992-01-01

    Mol. dynamics simulations with periodic boundary conditions are used to calc. temp.-programmed desorption spectra of Xe/Pt(111). The activation barrier is overcome by using the compensating Hamiltonian method. Monte Carlo simulations are used to correct for the finite size of the simulated system. A

  17. Note: A quartz cell with Pt single crystal bead electrode for electrochemical scanning tunneling microscope measurements.

    Science.gov (United States)

    Xia, Zhigang; Wang, Jihao; Hou, Yubin; Lu, Qingyou

    2014-09-01

    In this paper, we provide and demonstrate a design of a unique cell with Pt single crystal bead electrode for electrochemical scanning tunneling microscope (ECSTM) measurements. The active metal Pt electrode can be protected from air contamination during the preparation process. The transparency of the cell allows the tip and bead to be aligned by direct observation. Based on this, a new and effective alignment method is introduced. The high-quality bead preparations through this new cell have been confirmed by the ECSTM images of Pt (111).

  18. Absence of Ni on the outer surface of Sr doped La 2 NiO 4 single crystals

    KAUST Repository

    Burriel, Mó nica; Wilkins, Stuart; Hill, John P.; Muñ oz-Má rquez, Miguel A.; Brongersma, Hidde H.; Kilner, John A.; Ryan, Mary P.; Skinner, Stephen J.

    2014-01-01

    A combination of surface sensitive techniques was used to determine the surface structure and chemistry of La2-xSrxNiO 4+δ. These measurements unequivocally showed that Ni is not present in the outermost atomic layer, suggesting that the accepted model with the B-site cations exposed to the environment is incorrect. © 2014 The Royal Society of Chemistry.

  19. Effect of holes on the room temperature tensile behaviors of thin wall specimens with (210) side surface of Ni-base single crystal superalloy

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Z.J.; Liu, T.; Pu, S. [Superalloys Division, Institute of Metal Research, Chinese Academy of Sciences, No. 72, Wenhua Road, Shenyang 110016 (China); Xu, H. [Materials Fatigue and Fracture Division, Institute of Metal Research, Chinese Academy of Sciences, No. 72, Wenhua Road, Shenyang 110016 (China); Wang, L., E-mail: wangli@imr.ac.cn [Superalloys Division, Institute of Metal Research, Chinese Academy of Sciences, No. 72, Wenhua Road, Shenyang 110016 (China); Lou, L.H. [Superalloys Division, Institute of Metal Research, Chinese Academy of Sciences, No. 72, Wenhua Road, Shenyang 110016 (China)

    2015-10-25

    Tensile properties of Ni-base single crystal superalloy plate specimens with and without a hole at room temperature were studied in the present paper. During the testing process, an ARAMIS system based on the digital image correlation technique and in-situ scanning electron microscopy were employed to in-situ observe the strain distribution and slip traces development on the sample surfaces. It was demonstrated that the yield stress was decreased with the appearance of a hole due to the stress concentration. The results were analyzed based on the stress and strain states of specimens and the slip traces development observed on specimen surfaces. - Graphical abstract: The strain distribution for samples without and with a hole, respectively. - Highlights: • Tensile tests of plate specimens without and with a hole were performed. • Surface strain fields were in-situ observed by ARAMIS system. • Slip traces development on sample surfaces was in-situ observed by SEM. • The hole deteriorated both the tensile strength and elongation of the samples. • Tensile strength of specimens without and with a hole was discussed respectively.

  20. Fermi surface of a disordered Cu-Al -alloy single crystal studied by high-resolution Compton scattering and electron diffraction

    Science.gov (United States)

    Kwiatkowska, J.; Maniawski, F.; Matsumoto, I.; Kawata, H.; Shiotani, N.; Lityńska, L.; Kaprzyk, S.; Bansil, A.

    2004-08-01

    We have measured high resolution Compton scattering profiles for momentum transfer along a series of 28 independent directions from Cu0.842Al0.158 disordered alloy single crystals with normals to the surfaces oriented along the [100], [110], and [111] directions. The experimental spectra are interpreted via parallel first-principles KKR-CPA (Korringa-Kohn-Rostoker coherent-potential approximation) computations of these directional profiles. The Fermi surface determined by inverting the Compton data is found to be in good agreement with the KKR-CPA predictions. An electron diffraction study of the present Cu0.842Al0.158 sample is additionally undertaken to gain insight into short-range ordering effects. The scattering pattern displays not only the familiar diffuse scattering peaks, but also shows the presence of weak streaks interconnecting the four diffuse scattering spots around the (110) reciprocal lattice points. This study provides a comprehensive picture of the evolution of the shape of the Fermi surface of Cu with the addition of Al . Our results are consistent with the notion that Fermi surface nesting is an important factor in driving short-range ordering effects in disordered alloys.

  1. Deposition of thin layer (monoatomic layer) of barium on gold single crystal surfaces and studies of its oxidation employing X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Ahmad, H.; Ahmad, R.; Khalid, M.; Alvi, R.A.

    2007-01-01

    Due to the high reactivity of barium with oxygen, some oxygen diffuse into the bulk to form bulk oxide and it is very difficult to differentiate the oxide over layer and the bulk oxide. To study the oxidation of barium surface layer, a thin layer (monolayer) of barium is developed over gold single crystal surface. Gold is selected as support because it is one of the least reactive metal in transition metal group and have very low probability of reaction with oxygen at room temperature (300K). Nitrous oxide (N/sub 2/O) was used as oxidant. Thin layer of barium was deposited on Au(100) surface. The barium coverage on gold surface was calculated that varied from 0.4 to 1.4 monolayer (ML). Photoelectron spectra for O(ls), N(ls), Ba (3d), and Au (4f) have been recorded on X-ray photoelectron spectrometer at different binding energy region specific for each element. The decomposition of nitrous oxide has been observed in all cases. It has found that nitrogen is evolved in the gaseous state and oxygen is adsorbed/chemisorbed on barium over layer. (author)

  2. Surface study and thickness control of thin Al2O3 film on Cu-9%Al(111) single crystal

    International Nuclear Information System (INIS)

    Yamauchi, Yasuhiro; Yoshitake, Michiko; Song Weijie

    2004-01-01

    We were successful in growing a uniform flat Al 2 O 3 film on the Cu-9%Al(111) surface using the improved cleaning process, low ion energy and short time sputtering. The growth of ultra-thin film of Al 2 O 3 on Cu-9%Al was investigated using Auger electron spectroscopy (AES) and a scanning electron microscope (SEM). The Al 2 O 3 film whose maximum thickness was about 4.0 nm grew uniformly on the Cu-9%Al surface. The Al and O KLL Auger peaks of Al 2 O 3 film shifted toward low kinetic energy, and the shifts were related to Schottky barrier formation and band bending at the Al 2 O 3 /Cu-9%Al interface. The thickness of Al 2 O 3 film on the Cu-9%Al surface was controlled by the oxygen exposure

  3. Possible nucleation of a 2D superconducting phase on WO3 single crystals surface doped with Na+

    International Nuclear Information System (INIS)

    Reich, S.; Tsabba, Y.

    1999-01-01

    WO 3 crystals with a surface composition of Na 0.05 WO 3 were grown. These crystals exhibit a sharp diamagnetic step in magnetization at 91 K, and a magnetic hysteresis below this temperature. As the temperature is lowered below 100 K in transport measurements, a sharp metal to insulator transition is observed, this is followed by a sharp decrease in the resistivity when the temperature is lowered to about 90 K. When the surface of the crystals was covered by gold the depth of the diamagnetic step had decreased considerably. These results indicate a possible nucleation of a superconducting phase on the surface of these crystals. This is a non cuprate system exhibiting a critical temperature in the HTS range. (orig.)

  4. A cell for the controllable thermal treatment and electrochemical characterisation of single crystal alloy electrodes

    DEFF Research Database (Denmark)

    Bondarenko, Alexander S.; Stephens, Ifan E.L.; Chorkendorff, Ib

    2012-01-01

    be performed in this cell. These include preparation and basic voltammetric characterisation of Cu/Pt(111) near-surface and surface alloys where monolayer amounts of Cu are located in the 1st and 2nd layers, respectively. The cell can also be useful for “electrochemical atomic layer epitaxy” to assemble...... multilayers using repetitive underpotential deposition....

  5. Catalyzed hydrogenation of nitrogen and ethylene on metal (Fe, Pt) single crystal surfaces and effects of coadsorption: A sum frequency generation vibrational spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Westerberg, Staffan Per Gustav [Univ. of California, Berkeley, CA (United States)

    2004-01-01

    High-pressure catalytic reactions and associated processes, such as adsorption have been studied on a molecular level on single crystal surfaces. Sum Frequency Generation (SFG) vibrational spectroscopy together with Auger Electron Spectroscopy (AES), Temperature Programmed Desorption (TPD) and Gas Chromatography (GC) were used to investigate the nature of species on catalytic surfaces and to measure the catalytic reaction rates. Special attention has been directed at studying high-pressure reactions and in particular, ammonia synthesis in order to identify reaction intermediates and the influence of adsorbates on the surface during reaction conditions. The adsorption of gases N2, H2, O2 and NH3 that play a role in ammonia synthesis have been studied on the Fe(111) crystal surface by sum frequency generation vibrational spectroscopy using an integrated Ultra-High Vacuum (UHV)/high-pressure system. SFG spectra are presented for the dissociation intermediates, NH2 (~3325 cm-1) and NH (~3235 cm-1) under high pressure of ammonia (200 Torr) on the clean Fe(111) surface. Addition of 0.5 Torr of oxygen to 200 Torr of ammonia does not significantly change the bonding of dissociation intermediates to the surface. However, it leads to a phase change of nearly 180° between the resonant and non-resonant second order non-linear susceptibility of the surface, demonstrated by the reversal of the SFG spectral features. Heating the surface in the presence of 200 Torr ammonia and 0.5 Torr oxygen reduces the oxygen coverage, which can be seen from the SFG spectra as another relative phase change of 180°. The reduction of the oxide is also supported by Auger electron spectroscopy. The result suggests that the phase change of the spectral features could serve as a sensitive indicator of the chemical environment of the adsorbates.

  6. Adsorption of human insulin on single-crystal gold surfaces investigated by in situ scanning tunnelling microscopy and electrochemistry

    DEFF Research Database (Denmark)

    Welinder, Anna Christina; Zhang, Jingdong; Steensgaard, D.B.

    2010-01-01

    sweep, LSV, cyclic, CV, and square wave (SQWV) voltammetry. Multifarious electrochemical patterns were observed. Most attention was given to reductive desorption caused by insulin binding to the Au-surfaces via up to three disulfide groups per insulin monomer, presumably converted to single Au-S links....... SQWV suggested the Au-S bond strength order Au(111) > Au(110) > Au(100) based on the reductive desorption potentials. The voltammetric diversity was paralleled by different in situ STM insulin adsorption modes on the three surfaces. Single-molecule resolution was achieved in all cases. The coverage...... followed the order Au(110) > Au(100) > Au(111) and differs from the reductive desorption order that records the Au-S bonding element. Evenly distributed single molecules were scattered over large Au(111)-terraces, with intriguing molecular arrays disclosed near the terrace edges. In comparison, high...

  7. Trapping dynamics of isobutane, n-butane, and neopentane on Pt(111): Effects of molecular weight and structure

    International Nuclear Information System (INIS)

    Weaver, J.F.; Madix, R.J.

    1999-01-01

    The molecular adsorption dynamics of isobutane, n-butane, and neopentane on Pt(111) was investigated using supersonic molecular beam techniques and stochastic trajectory calculations. Using the united atom approach, a single, pairwise-additive Morse Potential for methyl (methylene)- plantinum interactions quantitatively simulates the dependence of the initial trapping probability, α, on the initial translational energy, E T , and angle of incidence, θ i , for each alkane. For both isobutane and n-butane, the dependence of α on E T and θ i best scales with E T cos 0.8 θ i , which is similar to that found previously for ethane and propane trapping on Pt(111). The initial trapping probability of neopentane exhibits a more pronounced dependence on θ i , which scales according to E T cos 1.3 θ i . The simulations suggest that the enhanced angular dependence of α for neopentane is related to its molecular weight. As the mass of the incident species is increased, momentum transfer to the surface becomes more efficient than the interconversion of incident parallel and normal momentum due to corrugation of the surface potential. The net effect is an increase in the trapping probability at glancing incidence compared to lighter molecules, and a resulting shift in the angular dependence of α towards normal energy scaling. The calculations also predict that collisional energy transfer to rotation is important in promoting adsorption. For each molecule, rotational excitation is determined to be the most effective energy transfer process that discriminates trapping from scattering. In addition, translational energy transfer to torsional vibration about the central C - C bond is highly efficient for n-butane, and greatly facilitates adsorption. Less excitation is predicted for C - C - C bending modes for all of these molecules. copyright 1999 American Institute of Physics

  8. Growth dynamics of L-cysteine SAMs on single-crystal gold surfaces: a metastable deexcitation spectroscopy study

    Science.gov (United States)

    Canepa, M.; Lavagnino, L.; Pasquali, L.; Moroni, R.; Bisio, F.; DeRenzi, V.; Terreni, S.; Mattera, L.

    2009-07-01

    We report on a metastable deexcitation spectroscopy investigation of the growth of L-cysteine layers deposited under UHV conditions on well-defined Au(110)- (1 × 2) and Au(111) surfaces. The interaction of He* with molecular orbitals gave rise to well-defined UPS-like Penning spectra which provided information on the SAM assembly dynamics and adsorption configurations. Penning spectra have been interpreted through comparison with molecular orbital DFT calculations of the free molecule and have been compared with XPS results of previous works. Regarding adsorption of first-layer molecules at room temperature (RT), two different growth regimes were observed. On Au(110), the absence of spectral features related to orbitals associated with SH groups indicated the formation of a compact SAM of thiolate molecules. On Au(111), the data demonstrated the simultaneous presence, since the early stages of growth, of strongly and weakly bound molecules, the latter showing intact SH groups. The different growth mode was tentatively assigned to the added rows of the reconstructed Au(110) surface which behave as extended defects effectively promoting the formation of the S-Au bond. The growth of the second molecular layer was instead observed to proceed similarly for both substrates. Second-layer molecules preferably adopt an adsorption configuration in which the SH group protrudes into the vacuum side.

  9. Growth dynamics of L-cysteine SAMs on single-crystal gold surfaces: a metastable deexcitation spectroscopy study

    International Nuclear Information System (INIS)

    Canepa, M; Lavagnino, L; Moroni, R; Bisio, F; Terreni, S; Mattera, L; Pasquali, L; De Renzi, V

    2009-01-01

    We report on a metastable deexcitation spectroscopy investigation of the growth of L-cysteine layers deposited under UHV conditions on well-defined Au(110)- (1 x 2) and Au(111) surfaces. The interaction of He* with molecular orbitals gave rise to well-defined UPS-like Penning spectra which provided information on the SAM assembly dynamics and adsorption configurations. Penning spectra have been interpreted through comparison with molecular orbital DFT calculations of the free molecule and have been compared with XPS results of previous works. Regarding adsorption of first-layer molecules at room temperature (RT), two different growth regimes were observed. On Au(110), the absence of spectral features related to orbitals associated with SH groups indicated the formation of a compact SAM of thiolate molecules. On Au(111), the data demonstrated the simultaneous presence, since the early stages of growth, of strongly and weakly bound molecules, the latter showing intact SH groups. The different growth mode was tentatively assigned to the added rows of the reconstructed Au(110) surface which behave as extended defects effectively promoting the formation of the S-Au bond. The growth of the second molecular layer was instead observed to proceed similarly for both substrates. Second-layer molecules preferably adopt an adsorption configuration in which the SH group protrudes into the vacuum side.

  10. Patterning of Perovskite Single Crystals

    KAUST Repository

    Corzo, Daniel

    2017-06-12

    As the internet-of-things hardware integration continues to develop and the requirements for electronics keep diversifying and expanding, the necessity for specialized properties other than the classical semiconductor performance becomes apparent. The success of emerging semiconductor materials depends on the manufacturability and cost as much as on the properties and performance they offer. Solution-based semiconductors are an emerging concept that offers the advantage of being compatible with large-scale manufacturing techniques and have the potential to yield high-quality electronic devices at a lower cost than currently available solutions. In this work, patterns of high-quality MAPbBr3 perovskite single crystals in specific locations are achieved through the modification of the substrate properties and solvent engineering. The fabrication of the substrates involved modifying the surface adhesion forces through functionalization with self-assembled monolayers and patterning them by photolithography processes. Spin coating and blade coating were used to deposit the perovskite solution on the modified silicon substrates. While single crystal perovskites were obtained with the modification of substrates alone, solvent engineering helped with improving the Marangoni flows in the deposited droplets by increasing the contact angle and lowering the evaporation rate, therefore controlling and improving the shape of the grown perovskite crystals. The methodology is extended to other types of perovskites such as the transparent MAPbCl3 and the lead-free MABi2I9, demonstrating the adaptability of the process. Adapting the process to electrode arrays opened up the path towards the fabrication of optoelectronic devices including photodetectors and field-effect transistors, for which the first iterations are demonstrated. Overall, manufacturing and integration techniques permitting the fabrication of single crystalline devices, such as the method in this thesis work, are

  11. Effect of nanodimensional polyethylenimine layer on surface potential barriers of hybrid structures based on silicon single crystal

    Science.gov (United States)

    Malyar, Ivan V.; Gorin, Dmitry A.; Stetsyura, Svetlana V.

    2013-01-01

    In this report we present the analysis of I-V curves for MIS-structures like silicon substrate / nanodimensional polyelectrolyte layer / metal probe (contact) which is promising for biosensors, microfluidic chips, different devices of molecular electronics, such as OLEDs, solar cells, where polyelectrolyte layers can be used to modify semiconductor surface. The research is directed to investigate the contact phenomena which influence the resulting signal of devices mentioned above. The comparison of I-V characteristics of such structures measured by scanning tunnel microscopy (contactless technique) and using contact areas deposited by thermal evaporation onto the organic layer (the contact one) was carried out. The photoassisted I-V measurements and complex analysis based on Simmons and Schottky models allow one to extract the potential barriers and to observe the changes of charge transport in MIS-structures under illumination and after polyelectrolyte adsorption. The direct correlation between the thickness of the deposited polyelectrolyte layer and both equilibrium tunnel barrier and Schottky barrier height was observed for hybrid structures with polyethylenimine. The possibility of control over the I-V curves of hybrid structure and the height of the potential barriers (for different charge transports) by illumination was confirmed. Based on experimental data and complex analysis the band diagrams were plotted which illustrate the changes of potential barriers for MIS-structures due to the polyelectrolyte adsorption and under the illumination.

  12. Solar cell structure incorporating a novel single crystal silicon material

    Science.gov (United States)

    Pankove, Jacques I.; Wu, Chung P.

    1983-01-01

    A novel hydrogen rich single crystal silicon material having a band gap energy greater than 1.1 eV can be fabricated by forming an amorphous region of graded crystallinity in a body of single crystalline silicon and thereafter contacting the region with atomic hydrogen followed by pulsed laser annealing at a sufficient power and for a sufficient duration to recrystallize the region into single crystal silicon without out-gassing the hydrogen. The new material can be used to fabricate semiconductor devices such as single crystal silicon solar cells with surface window regions having a greater band gap energy than that of single crystal silicon without hydrogen.

  13. The influence of the bulk reduction state on the surface structure and morphology of rutile TiO{sub 2}(110) single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Li, M.; Hebenstreit, W.; Diebold, U.; Tyryshkin, A.M.; Bowman, M.K.; Dunham, G.G.; Henderson, M.A.

    2000-05-25

    The authors have investigated the relationship between different types and amounts of bulk defects and the surface morphology of TiO{sub 2}(110) single crystals prepared by annealing in ultrahigh vacuum and in oxygen. Rutile TiO{sub 2}(110) specimens were cut from the same crystal and were heated in a furnace to different temperatures which resulted in different states of reduction (colors of the crystals). After characterization of the bulk defects with electron paramagnetic resonance (EPR), the specimens were studied with scanning tunneling microscopy (STM), low-energy He{sup +} ion scattering (LEIS), and work function measurements. EPR reveals that darker rutile crystals exhibit higher concentrations of extended Ti{sup 3+} related bulk defects such as crystallographic shear planes (CSP), with a decrease in substitutional and interstitial defects as compared to lighter crystals. Surface structures with (1 x 2) features are preferably formed upon UHV annealing on these darker crystals. LEIS measurements show that all of the crystals' (110) surfaces are reoxidized upon annealing in {sup 18}O{sub 2} (573 K, 1 x 10{sup {minus}6} mbar, 10 min) and that the {sup 18}O surface content is proportional to the bulk reduction state. UV-visible adsorption spectra and resistivity measurements also scale with the reduction states of crystals. Only the (1 x 1) structure is observed on the surface of slightly reduced crystals. Annealing in oxygen induces additional metastable structures, i.e., TiO{sub 2} clusters on blue crystals and rosette networks on dark blue crystals.

  14. Spent-fuel special-studies progress report: probable mechanisms for oxidation and dissolution of single-crystal UO2 surfaces

    International Nuclear Information System (INIS)

    Wang, R.

    1981-03-01

    Due to the complexity of the structural, microstructural and compositional characteristics of spent fuel, basic leaching and dissolution mechanisms were studied with UO 2 matrix material, specifically with single-crystal UO 2 , to isolate individual contributory factors. The effects of oxidation and oxidation-dissolution were investigated in different oxidation conditions, such as in air, oxygenated solutions and deionized water containing H 2 O 2 . In addition, the effects of temperature on dissolution of UO 2 were studied in autoclaves at 75 and 150 0 C. Also, oxidation and dissolution measurements were investigated via electrochemical methods to determine if those techniques could be applied to the characterization of leaching and dissolution of spent fuel in a hot cell. Finally, the effects of radiation were explored since the radiolysis of water may create a localized oxidizing condition at or near the spent fuel-solution interface, even in neutral or reducing conditions as commonly found in deep geological environments. The oxidation and oxidation-dissolution mechanisms for UO 2 are proposed as follows: The UO 2 surface is first oxidized in solution to form a UO/sub 2+x/ surface layer several angstroms thick. This oxidized surface has a high dissolution rate since the UO/sub 2+x/ reacts with the dissolved O 2 , or H 2 O 2 , to form uranyl complex ions in a U(VI) state. As the uranyl ions exceed the solubility limits in solution, they become hydrolyzed to form solid deposits and suspended particles of UO 3 hydrates. The thickness and porosity of the deposited UO 3 hydrate surface-film is dependent on temperature, pH and deposition time. A long-term dissolution rate is then determined by the nature of the surface film, such as porosity, solubility and mechanical properties

  15. Regeneration of LOHC dehydrogenation catalysts: In-situ IR spectroscopy on single crystals, model catalysts, and real catalysts from UHV to near ambient pressure

    International Nuclear Information System (INIS)

    Amende, Max; Kaftan, Andre; Bachmann, Philipp; Brehmer, Richard; Preuster, Patrick; Koch, Marcus

    2016-01-01

    Graphical abstract: - Highlights: • We examine the regeneration of Pt-based catalysts poisoned by LOHC degradation. • A microscopic mechanism of the removal of degradation products from Pt is proposed. • Results of our UHV studies on model catalysts are transferred to real catalysis. • Oxidative regeneration of Pt/alumina is possible under mild conditions (600 K). • The degree and temperature regime of regeneration depends on the catalyst morphology. - Abstract: The Liquid Organic Hydrogen Carrier (LOHC) concept offers an efficient route to store hydrogen using organic compounds that are reversibly hydrogenated and dehydrogenated. One important challenge towards application of the LOHC technology at a larger scale is to minimize degradation of Pt-based dehydrogenation catalysts during long-term operation. Herein, we investigate the regeneration of Pt/alumina catalysts poisoned by LOHC degradation. We combine ultrahigh vacuum (UHV) studies on Pt(111), investigations on well-defined Pt/Al_2O_3 model catalysts, and near-ambient pressure (NAP) measurements on real core–shell Pt/Al_2O_3 catalyst pellets. The catalysts were purposely poisoned by reaction with the LOHC perhydro-dibenzyltoluene (H18-MSH) and with dicyclohexylmethane (DCHM) as a simpler model compound. We focus on oxidative regeneration under conditions that may be applied in real dehydrogenation reactors. The degree of poisoning and regeneration under oxidative reaction conditions was quantified using CO as a probe molecule and measured by infrared reflection-absorption spectroscopy (IRAS) and diffuse reflectance Fourier transform IR spectroscopy (DRIFTS) for planar model systems and real catalysts, respectively. We find that regeneration strongly depends on the composition of the catalyst surface. While the clean surface of a poisoned Pt(111) single crystal is fully restored upon thermal treatment in oxygen up to 700 K, contaminated Pt/Al_2O_3 model catalyst and core–shell pellet were only

  16. Regeneration of LOHC dehydrogenation catalysts: In-situ IR spectroscopy on single crystals, model catalysts, and real catalysts from UHV to near ambient pressure

    Energy Technology Data Exchange (ETDEWEB)

    Amende, Max, E-mail: max.amende@fau.de [Lehrstuhl für Physikalische Chemie II, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); Kaftan, Andre, E-mail: andre.kaftan@fau.de [Lehrstuhl für Physikalische Chemie II, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); Bachmann, Philipp, E-mail: philipp.bachmann@fau.de [Lehrstuhl für Physikalische Chemie II, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); Brehmer, Richard, E-mail: richard.brehmer@fau.de [Lehrstuhl für Chemische Reaktionstechnik, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); Preuster, Patrick, E-mail: patrick.preuster@fau.de [Lehrstuhl für Chemische Reaktionstechnik, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); Koch, Marcus, E-mail: marcus.koch@crt.cbi.uni-erlangen.de [Lehrstuhl für Chemische Reaktionstechnik, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); and others

    2016-01-01

    Graphical abstract: - Highlights: • We examine the regeneration of Pt-based catalysts poisoned by LOHC degradation. • A microscopic mechanism of the removal of degradation products from Pt is proposed. • Results of our UHV studies on model catalysts are transferred to real catalysis. • Oxidative regeneration of Pt/alumina is possible under mild conditions (600 K). • The degree and temperature regime of regeneration depends on the catalyst morphology. - Abstract: The Liquid Organic Hydrogen Carrier (LOHC) concept offers an efficient route to store hydrogen using organic compounds that are reversibly hydrogenated and dehydrogenated. One important challenge towards application of the LOHC technology at a larger scale is to minimize degradation of Pt-based dehydrogenation catalysts during long-term operation. Herein, we investigate the regeneration of Pt/alumina catalysts poisoned by LOHC degradation. We combine ultrahigh vacuum (UHV) studies on Pt(111), investigations on well-defined Pt/Al{sub 2}O{sub 3} model catalysts, and near-ambient pressure (NAP) measurements on real core–shell Pt/Al{sub 2}O{sub 3} catalyst pellets. The catalysts were purposely poisoned by reaction with the LOHC perhydro-dibenzyltoluene (H18-MSH) and with dicyclohexylmethane (DCHM) as a simpler model compound. We focus on oxidative regeneration under conditions that may be applied in real dehydrogenation reactors. The degree of poisoning and regeneration under oxidative reaction conditions was quantified using CO as a probe molecule and measured by infrared reflection-absorption spectroscopy (IRAS) and diffuse reflectance Fourier transform IR spectroscopy (DRIFTS) for planar model systems and real catalysts, respectively. We find that regeneration strongly depends on the composition of the catalyst surface. While the clean surface of a poisoned Pt(111) single crystal is fully restored upon thermal treatment in oxygen up to 700 K, contaminated Pt/Al{sub 2}O{sub 3} model catalyst and

  17. Diethylenetriamine/diamines/copper (II complexes [Cu(dien(NN]Br2: Synthesis, solvatochromism, thermal, electrochemistry, single crystal, Hirshfeld surface analysis and antibacterial activity

    Directory of Open Access Journals (Sweden)

    Fatima Abu Saleemh

    2017-09-01

    Full Text Available Two dicationic water soluble mixed triamine/diamine copper (II complexes, of general formula [Cu(dienNN]Br2 (1–2 [dien = diethelenetriamine and NN is en = ethylenediamine or Me4en = N,N′,N,N′-tetramethylethylenediamine] were prepared under ultrasonic mode with a relatively high yield. These complexes were characterized by elemental microanalysis, UV visible IR spectroscopy, and thermal and electrochemical techniques. In addition, complex 2 structure was solved by X-ray single crystal and Hirshfeld surface analysis. The complex exhibits a distorted square pyramidal coordination environment around Cu(II centre. The solvatochromism of the desired complexes was investigated in water and other suitable organic solvents. The results show that the Guttmann’s DN parameter values of the solvents have mainly contributed to the shift of the d–d absorption band towards the linear increase in the wavelength of the absorption maxima of the complexes. The complex 1 showed higher antibacterial activity against the studied microorganisms compared to complex 2. Both complexes revealed promising antibacterial activities.

  18. First principles study of (Cd, Hg, In, Tl, Sn, Pb, As, Sb, Bi, Se) modified Pt(111), Pt(100) and Pt(211) electrodes as CO oxidation catalysts

    DEFF Research Database (Denmark)

    Tripkovic, Vladimir

    2015-01-01

    . The coverage dependence as a function of potential for ten different adatom species (Cd, Hg, In, Tl, Sn, Pb, As, Sb, Bi, Se) on bare and CO saturated Pt(111), Pt(100) and Pt(211) surfaces has been established by means of Density Functional Theory calculations. Most of the adatoms are very stable under standard......, given by the OH formation potentials from water, is dependent on the oxophilicity of the adatoms, and is found to scale almost inversely with the adatom stability. In electrolyte solutions saturated with CO, the stability reduces to roughly half of that on bare Pt surfaces. Irrespective of the CO...

  19. Irradiation of zinc single crystal with 500 keV singly-charged carbon ions: surface morphology, structure, hardness, and chemical modifications

    Science.gov (United States)

    Waqas Khaliq, M.; Butt, M. Z.; Saleem, Murtaza

    2017-07-01

    Cylindrical specimens of (1 0 4) oriented zinc single crystal (diameter  =  6 mm and length  =  5 mm) were irradiated with 500 keV C+1 ions with the help of a Pelletron accelerator. Six specimens were irradiated in an ultra-high vacuum (~10‒8 Torr) with different ion doses, namely 3.94  ×  1014, 3.24  ×  1015, 5.33  ×  1015, 7.52  ×  1015, 1.06  ×  1016, and 1.30  ×  1016 ions cm-2. A field emission scanning electron microscope (FESEM) was utilized for the morphological study of the irradiated specimens. Formation of nano- and sub-micron size rods, clusters, flower- and fork-like structures, etc, was observed. Surface roughness of the irradiated specimens showed an increasing trend with the ions dose. Energy dispersive x-ray spectroscopy (EDX) helped to determine chemical modifications in the specimens. It was found that carbon content varied in the range 22.86-31.20 wt.% and that oxygen content was almost constant, with an average value of 10.16 wt.%. The balance content was zinc. Structural parameters, i.e. crystallite size and lattice strain, were determined by Williamson-Hall analysis using x-ray diffraction (XRD) patterns of the irradiated specimens. Both crystallite size and lattice strain showed a decreasing trend with the increasing ions dose. A good linear relationship between crystallite size and lattice strain was observed. Surface hardness depicted a decreasing trend with the ions dose and followed an inverse Hall-Petch relation. FTIR spectra of the specimens revealed that absorption bands gradually diminish as the dose of singly-charged carbon ions is increased from 3.94  ×  1014 ions cm-1 to 1.30  ×  1016 ions cm-1. This indicates progressive deterioration of chemical bonds with the increase in ion dose.

  20. Spherical Nb single crystals containerlessly grown by electrostatic levitation

    International Nuclear Information System (INIS)

    Sung, Y.S.; Takeya, H.; Hirata, K.; Togano, K.

    2003-01-01

    Spherical Nb (T m =2750 K) single crystals were grown via containerless electrostatic levitation (ESL). Samples became spherical at melting in levitation and undercooled typically 300-450 K prior to nucleation. As-processed samples were still spherical without any macroscopic shape change by solidification showing a uniform dendritic surface morphology. Crystallographic {111} planes exposed in equilateral triangular shapes on the surface by preferential macroetching and spotty back-reflection Laue patterns confirm the single crystal nature of the ESL-processed Nb samples. No hysteresis in magnetization between zero field and field cooling also implies a clean defect-free condition of the spherical Nb single crystals

  1. A multistep single-crystal-to-single-crystal bromodiacetylene dimerization

    Science.gov (United States)

    Hoheisel, Tobias N.; Schrettl, Stephen; Marty, Roman; Todorova, Tanya K.; Corminboeuf, Clémence; Sienkiewicz, Andrzej; Scopelliti, Rosario; Schweizer, W. Bernd; Frauenrath, Holger

    2013-04-01

    Packing constraints and precise placement of functional groups are the reason that organic molecules in the crystalline state often display unusual physical or chemical properties not observed in solution. Here we report a single-crystal-to-single-crystal dimerization of a bromodiacetylene that involves unusually large atom displacements as well as the cleavage and formation of several bonds. Density functional theory computations support a mechanism in which the dimerization is initiated by a [2 + 1] photocycloaddition favoured by the nature of carbon-carbon short contacts in the crystal structure. The reaction proceeded up to the theoretical degree of conversion without loss of crystallinity, and it was also performed on a preparative scale with good yield. Moreover, it represents the first synthetic pathway to (E)-1,2-dibromo-1,2-diethynylethenes, which could serve as synthetic intermediates for the preparation of molecular carbon scaffolds. Our findings both extend the scope of single-crystal-to-single-crystal reactions and highlight their potential as a synthetic tool for complex transformations.

  2. Single Crystals Grown Under Unconstrained Conditions

    Science.gov (United States)

    Sunagawa, Ichiro

    Based on detailed investigations on morphology (evolution and variation in external forms), surface microtopography of crystal faces (spirals and etch figures), internal morphology (growth sectors, growth banding and associated impurity partitioning) and perfection (dislocations and other lattice defects) in single crystals, we can deduce how and by what mechanism the crystal grew and experienced fluctuation in growth parameters through its growth and post-growth history under unconstrained condition. The information is useful not only in finding appropriate way to growing highly perfect and homogeneous single crystals, but also in deciphering letters sent from the depth of the Earth and the Space. It is also useful in discriminating synthetic from natural gemstones. In this chapter, available methods to obtain molecular information are briefly summarized, and actual examples to demonstrate the importance of this type of investigations are selected from both natural minerals (diamond, quartz, hematite, corundum, beryl, phlogopite) and synthetic crystals (SiC, diamond, corundum, beryl).

  3. First-principles study of nitric oxide oxidation on Pt(111) versus Pt overlayer on 3d transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Arevalo, Ryan Lacdao [Department of Precision Science and Technology and Applied Physics, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan); Escaño, Mary Clare Sison [Graduate School of Engineering, University of Fukui, 3-9-1 Bunkyo, Fukui 910-8507 (Japan); Kasai, Hideaki, E-mail: kasai@dyn.ap.eng.osaka-u.ac.jp [Department of Precision Science and Technology and Applied Physics, Center for Atomic and Molecular Technologies, and Center for Continuing Professional Development, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan)

    2015-03-15

    Catalytic oxidation of NO to NO{sub 2} is a significant research interest for improving the quality of air through exhaust gas purification systems. In this paper, the authors studied this reaction on pure Pt and Pt overlayer on 3d transition metals using kinetic Monte Carlo simulations coupled with density functional theory based first principles calculations. The authors found that on the Pt(111) surface, NO oxidation proceeds via the Eley–Rideal mechanism, with O{sub 2} dissociative adsorption as the rate-determining step. The oxidation path via the Langmuir–Hinshelwood mechanism is very slow and does not significantly contribute to the overall reaction. However, in the Pt overlayer systems, the oxidation of NO on the surface is more thermodynamically and kinetically favorable compared to pure Pt. These findings are attributed to the weaker binding of O and NO on the Pt overlayer systems and the binding configuration of NO{sub 2} that promotes easier N-O bond formation. These results present insights for designing affordable and efficient catalysts for NO oxidation.

  4. Electroerosion impulse effect on W single crystal structure

    International Nuclear Information System (INIS)

    Aleshina, S.A.; Khvostikova, V.D.; Zolotykh, B.N.; Marchuk, A.I.

    1977-01-01

    The mechanism has been studied of brittle failure of single crystal tungsten on planes of crystallographic orientations [100], [110]; [111] in the process of electro-erosion machining by pulses of energies ranging from 1200 to 5000 μJ and of duration of 1 μs. It is shown that the electro-erosion machining of single crystal tungsten is characterized by the formation of a defect layer with a grid of microcracks which lie at a depth of approximately 80 μm. The appearance and the distribution of cracks on the surface of single crystals depends on the crystallogrpahic orientation

  5. Synchrotron Based Structural Investigations of Mass-Selected PtxGd Nanoparticles and a Gd/Pt(111) Single Crystal for Electrochemical Oxygen Reduction

    DEFF Research Database (Denmark)

    Pedersen, Anders Filsøe; Velazquez-Palenzuela, Amado Andres; Masini, Federico

    2015-01-01

    . 134, 16476–16479 (2012). 3. Velazquez-Palenzuela, A. et al. The enhanced activity of mass-selected PtxGd nanoparticles for oxygen electroreduction. J. Catal. [in press] (2015). doi:10.1016/j.jcat.2014.12.012 4. Perez-Alonso, F. J. et al. The Effect of Size on the Oxygen Electroreduction Activity...

  6. How far could energy transport within a single crystal

    Science.gov (United States)

    Zhang, Yifan; Che, Yanke; Zhao, Jincai; Steve, Granick

    Efficient transport of excitation energy over long distance is a vital process in light-harvesting systems and molecular electronics. The energy transfer distance is largely restricted by the probability decay of the exciton when hopping within a single crystal. Here, we fabricated an organic single crystal within which the energy could transfer more than 100 μm, a distance only limited by its crystal size. Our system could be regarded as a ``Sprint relay game'' performing on different surface of tracks. Photoinduced ``athletes'' (excitons) triggered intermolecular ``domino'' reaction to propagate energy for a long distance. In addition, athletes with the same ability runs much farther on smooth ideal track (single crystal assembled from merely van der Waals interaction) than bumpy mud track (crystal assembled from combination of pi-stacking, hydrogen bond and van der Waals interactions). Our finding presents new physics on enhancing energy transfer length within a single crystal. Current Affiliation: Institute for Basic Science, South Korea.

  7. Study of underpotential deposited Cu layers on Pt(111) and their stability against CO and CO2 in perchloric acid

    DEFF Research Database (Denmark)

    Schlaup, Christian Georg; Horch, Sebastian

    2013-01-01

    The underpotential deposition (UPD) of copper on a Pt(111) electrode and the influence of gas coadsorbates, i.e. CO and CO2, on the thus deposited copper layer were studied in a 0.1 M HClO4 electrolyte by means of EC-STM. By UPD, an atomically flat Cu layer is formed, which exhibits a pseudomorph...

  8. Enhanced creation of dispersive monolayer phonons in Xe/Pt(111) by inelastic helium atom scattering at low energies

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Bruch, Ludwig Walter

    2007-01-01

    Conditions likely to lead to enhanced inelastic atomic scattering that creates shear horizontal (SH) and longitudinal acoustic (LA) monolayer phonons are identified, specifically examining the inelastic scattering of He-4 atoms by a monolayer solid of Xe/Pt(111) at incident energies of 2-25 meV. ...

  9. Thermal shock cracking of GSO single crystal

    International Nuclear Information System (INIS)

    Miyazaki, Noriyuki; Yamamoto, Kazunari; Tamura, Takaharu; Kurashige, Kazuhisa; Ishibashi, Hiroyuki; Susa, Kenzo

    1998-01-01

    The quantitative estimation of the failure stress of a gadolinium orthosilicate (Gd 2 SiO 5 , hereafter abbreviated as GSO) single crystal due to thermal shock was investigated. A cylindrical test specimen was heated in a silicone oil bath, then subjected to thermal shock by pouring room temperature silicone oil. Cracking occurred during cooling. The heat conduction analysis was performed to obtain temperature distribution in a GSO single crystal at cracking, using the surface temperatures measured in the thermal shock cracking test. Then the thermal stress was calculated using temperature profile of the test specimen obtained from the heat conduction analysis. It is found from the results of the thermal stress analysis and the observation of the cracking in test specimens that the thermal shock cracking occurs in a cleavage plane due to the stress normal to the plane. Three-point bending tests were also performed to examine the relationship between the critical stress for thermal shock cracking and the three-point bending strength obtained from small-sized test specimens. (author)

  10. Electric-field-induced modification in Curie temperature of Co monolayer on Pt(111)

    Science.gov (United States)

    Nakamura, Kohji; Oba, Mikito; Akiyama, Toru; Ito, Tomonori; Weinert, Michael

    2015-03-01

    Magnetism induced by an external electric field (E-field) has received much attention as a potential approach for controlling magnetism at the nano-scale with the promise of ultra-low energy power consumption. Here, the E-field-induced modification of the Curie temperature for a prototypical transition-metal thin layer of a Co monolayer on Pt(111) is investigated by first-principles calculations by using the full-potential linearized augmented plane wave method that treats spin-spiral structures in an E-field. An applied E-field modifies the magnon (spin-spiral formation) energies by a few meV, which leads to a modification of the exchange pair interaction parameters within the classical Heisenberg model. With inclusion of the spin-orbit coupling (SOC), the magnetocrystalline anisotropy and the Dzyaloshinskii-Morita interaction are obtained by the second variation SOC method. An E-field-induced modification of the Curie temperature is demonstrated by Monte Carlo simulations, in which a change in the exchange interaction is found to play a key role.

  11. Electric-field-induced modification in Dzyaloshinskii-Moriya interaction of Co monolayer on Pt(111)

    Science.gov (United States)

    Nakamura, Kohji; Akiyama, Toru; Ito, Tomonori; Ono, Teruo; Weinert, Michael

    Magnetism induced by an external electric field (E-field) has received much attention as a potential approach for controlling magnetism at the nano-scale with the promise of ultra-low energy power consumption. Here, the E-field-induced modification of the Dzyaloshinskii-Moriya interaction (DMI) for a prototypical transition-metal thin layer of a Co monolayer on Pt(111) is investigated by first-principles calculations by using the full-potential linearized augmented plane wave method that treats spin-spiral structures in an E-field. With inclusion of the spin-orbit coupling (SOC) by the second variational method for commensurate spin-spiral structures, the DMI constants were estimated from an asymmetric contribution in the total energy with respect to the spin-spiral wavevector. The results predicted that the DMI is modified by the E-field, but the change is found to be small compared to that in the exchange interaction (a symmetric contribution in the total energy) by a factor of ten.

  12. Shift of localized surface plasmon resonance by Ar-ion irradiation of Ag–Au bimetallic films deposited on Al{sub 2}O{sub 3} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Xuan [Graduate School of Engineering, Hokkaido University, Sapporo, Hokkaido 060-8628 (Japan); Shibayama, Tamaki, E-mail: shiba@qe.eng.hokudai.ac.jp [Center for Advanced Research of Energy and Materials, Faculty of Engineering, Hokkaido University, Kita-13, Nishi-8, Kita-ku, Sapporo, Hokkaido 060-8628 (Japan); Yu, Ruixuan; Takayanagi, Shinya [Graduate School of Engineering, Hokkaido University, Sapporo, Hokkaido 060-8628 (Japan); Watanabe, Seiichi [Center for Advanced Research of Energy and Materials, Faculty of Engineering, Hokkaido University, Kita-13, Nishi-8, Kita-ku, Sapporo, Hokkaido 060-8628 (Japan)

    2013-11-01

    Effects of Ar-ion induced surface nanostructuring were studied using 100 keV Ar-ion irradiation of 30 nm Ag–Au bimetallic films deposited on Al{sub 2}O{sub 3} single crystals, under irradiation fluences ranging from 5.0 × 10{sup 15} cm{sup −2} to 6.3 × 10{sup 16} cm{sup −2}. Scanning electron microscope was used to study the ion-beam-induced surface nanostructuring. As the irradiation fluence increased, dewetting of the bimetallic films on the Al{sub 2}O{sub 3} substrate was observed, and formation of isolated Ag–Au nanostructures sustained on the substrate were obtained. Next, thermal annealing was performed under high vacuum at 1073 K for 2 h; a layer of photosensitive Ag–Au alloy nanoballs partially embedded in the Al{sub 2}O{sub 3} substrate was obtained when higher fluence irradiation (>3.8 × 10{sup 16} cm{sup −2}) was used. The microstructures of the nanoballs were investigated using a transmission electron microscope, and the nanoballs were found to be single crystals with a FCC structure. In addition, photoabsorption spectra were measured, and localized surface plasmon resonance peaks were observed. With increase in the irradiation fluence, the size of the Ag–Au nanoballs on the substrate decreased, and a blue-shift of the LSPR peaks was observed. Further control of the LSPR frequency over a wide range was achieved by modifying the chemical components, and a red-shift of the LSPR peaks was observed as the Au concentration increased. In summary, ion irradiation is an effective approach toward surface nanostructuring, and the nanocomposites obtained have potential applications in optical devices.

  13. Vibrational dynamics of adsorbed molecules under conditions of photodesorption: Pump-probe SFG spectra of CO/Pt(111)

    Science.gov (United States)

    Fournier, Frédéric; Zheng, Wanquan; Carrez, Serge; Dubost, Henri; Bourguignon, Bernard

    2004-09-01

    Interaction of CO adsorbed on Pt(111) with electrons and phonons is studied experimentally by means of a pump-probe experiment where CO is probed by IR+visible sum frequency generation under a pump laser intensity that allows photodesorption. Vibrational spectra of CO internal stretch are obtained as a function of pump-probe delay. A two-temperature and anharmonic coupling model is used to extract from the spectra the real time variations of CO peak frequency and dephasing time. The main conclusions are the following: (i) The CO stretch is perturbed by two low-frequency modes, assigned to frustrated rotation and frustrated translation. (ii) The frustrated rotation is directly coupled to electrons photoexcited in Pt(111) by the pump laser. (iii) There is no evidence of Pt-CO stretch excitation in the spectra. The implications for the photodesorption dynamics are discussed.

  14. Electrically Anisotropic Layered Perovskite Single Crystal

    KAUST Repository

    Li, Ting-You

    2016-01-01

    -23). However, the difficulty in growing large-sized LOIHPs single crystal with superior electrical properties limits their practical applications. Here, we report a method to grow the centimeter-scaled LOIHP single crystal of [(HOC2H4NH3)2PbI4], demonstrating

  15. Confinement stabilises single crystal vaterite rods.

    OpenAIRE

    Schenk, AS; Albarracin, EJ; Kim, YY; Ihli, J; Meldrum, FC

    2014-01-01

    Single-crystals of vaterite, the least-stable anhydrous polymorph of CaCO3, are rare in biogenic and synthetic systems. We here describe the synthesis of high aspect ratio single crystal vaterite rods under additive-free conditions by precipitating CaCO3 within the cylindrical pores of track-etch membranes.

  16. Passivation of the surfaces of single crystal gadolinium molybdate (Gd2(MoO4)3) against attack by hydrofluoric acid by inert ion beam irradiation

    International Nuclear Information System (INIS)

    Bhalla, A.; Cross, L.E.; Tongson, L.

    1978-01-01

    The passivation effect from inert ion beam bombardment has been studied on a ferroelectric surface. The mechanism in these materials may have some additional contributions because of the polarization charges of the domains and the dipole effect (ion beam and surface species) on the surfaces. For these studies Gd 2 (MoO 4 ) 3 (GMO) crystals were selected. Two possible mechanisms of passivation of GMO surfaces when bombarded with ion beams are discussed

  17. Chlorination of irradiated polyethylene single crystals

    International Nuclear Information System (INIS)

    Grimm, H.J.

    1978-01-01

    The chlorination of electron beam-irradiation polyethylene (PE) single crystals was studied for a range of irradiation doses, temperatures, and chlorine interaction times. The results presented show that PE chlorination was quite extensive, even in unirradiated PE single crystals at 25 0 C in the dark. Electron Spin Resonance (ESR, EPR) was used in this study in order to determine the alkyl radical concentration, decay constant, and diffusivity for (unchlorinated) specimens. An alkyl radical diffusivity D/sub a/ = 1.6 x 10 -17 cm 2 /sec at 25 0 C was estimated from ESR data and alkyl radical migration as one-dimensional unsteady-state diffusion process. In irradiated PE, chlorination occurred mainly via chain reactions which were initiated by the irradiation-produced free radicals. Chlorine content values were determined by X-ray Energy Spectroscopy (XES). It was found that the magnitude of the chlorine uptake increased with increasing dose, and decreased with decreasing temperature at constant dose. Otherwise the observed PE chlorination phenomena was quite similar for all of the doses and temperatures studied here, consisting of a two step mechanism: a fast uptake which occurred between time tCl 2 = 0 - 5 minutes and a slower, approximately first-order rate of uptake which occurred between times tCl 2 = 5 - 120 minutes. Chlorination was essentially complete by time tCl 2 = 120 minutes. The rapid uptake probably occurred in the amorphous surface zones where Cl 2 is relatively high and the second, slower step was probably attributable to Cl 2 diffusion into the crystalline regions and subsequent chlorination there. Inasmuch as the PE density decreases with increasing dose (for 1-600 Mrad), Cl 2 diffusivity was enhanced, resulting in higher chlorine uptake values at higher doses

  18. Energy redistribution in diatomic molecules on surfaces

    International Nuclear Information System (INIS)

    Asscher, M.; Somorjai, G.A.

    1984-04-01

    Translational and internal degrees of freedom of a scattered beam of NO molecules from a Pt(111) single crystal surface were measured as a function of scattering angle and crystal temperature in the range 450 to 1250K. None of the three degrees of freedom were found to fully accommodate to the crystal temperature, the translational degree being the most accommodated and the rotational degree of freedom the least. A precursor state model is suggested to account for the incomplete accommodation of translational and vibrational degrees of freedom as a function of crystal temperature and incident beam energy. The vibrational accommodation is further discussed in terms of a competition between desorption and vibrational excitation processes, thus providing valuable information on the interaction between vibrationally excited molecules and surfaces. Energy transfer into rotational degrees of freedom is qualitatively discussed

  19. CO adsorption and dissociation on Pt(111) and Ni(111) surfaces

    DEFF Research Database (Denmark)

    Morikawa, Y.; Mortensen, Jens Jørgen; Hammer, Bjørk

    1997-01-01

    CO adsorption and dissociation processes have been studied using first-principles total energy and force calculations. The adsorption energies, atomic structures and vibrational modes of molecularly chemisorbed states are well reproduced in the present calculations. We have examined several...

  20. Relaxor-PT Single Crystal Piezoelectric Sensors

    Directory of Open Access Journals (Sweden)

    Xiaoning Jiang

    2014-07-01

    Full Text Available Relaxor-PbTiO3 piezoelectric single crystals have been widely used in a broad range of electromechanical devices, including piezoelectric sensors, actuators, and transducers. This paper reviews the unique properties of these single crystals for piezoelectric sensors. Design, fabrication and characterization of various relaxor-PT single crystal piezoelectric sensors and their applications are presented and compared with their piezoelectric ceramic counterparts. Newly applicable fields and future trends of relaxor-PT sensors are also suggested in this review paper.

  1. Statistical studies on the light output and energy resolution of small LSO single crystals with different surface treatments combined with various reflector materials

    CERN Document Server

    Heinrichs, U; Bussmann, N; Engels, R; Kemmerling, G; Weber, S; Ziemons, K

    2002-01-01

    The optimization of light output and energy resolution of scintillators is of special interest for the development of high resolution and high sensitivity PET. The aim of this work is to obtain statistically reliable results concerning optimal surface treatment of scintillation crystals and the selection of reflector material. For this purpose, raw, mechanically polished and etched LSO crystals (size 2x2x10 mm sup 3) were combined with various reflector materials (Teflon tape, Teflon matrix, BaSO sub 4) and exposed to a sup 2 sup 2 Na source. In order to ensure the statistical reliability of the results, groups of 10 LSO crystals each were measured for all combinations of surface treatment and reflector material. Using no reflector material the light output increased up to 551+-35% by mechanical polishing the surface compared to 100+-5% for raw crystals. Etching the surface increased the light output to 441+-29%. The untreated crystals had an energy resolution of 24.6+-4.0%. By mechanical polishing the surfac...

  2. UV detectors based on epitaxial diamond films grown on single-crystal diamond substrates by vapor-phase synthesis

    International Nuclear Information System (INIS)

    Sharonov, G.V.; Petrov, S.A.; Bol'shakov, A.P.; Ral'chenko, V.G.; Kazyuchits, N.M.

    2010-01-01

    The prospects for use of CVD-technology for epitaxial growth of single-crystal diamond films of instrumental quality in UHF plasma for the production of optoelectronic devices are discussed. A technology for processing diamond single crystals that provides a perfect surface crystal structure with roughness less than 0,5 nm was developed. It was demonstrated that selective UV detectors based on synthetic single-crystal diamond substrates coated with single-crystal films can be produced. A criterion for selecting clean and structurally perfect single crystals of synthetic diamond was developed for the epitaxial growth technology. (authors)

  3. Effect of surface structure on catalytic reactions: A sum frequency generation surface vibrational spectroscopy study

    International Nuclear Information System (INIS)

    McCrea, Keith R.

    2001-01-01

    In the results discussed above, it is clear that Sum Frequency Generation (SFG) is a unique tool that allows the detection of vibrational spectra of adsorbed molecules present on single crystal surfaces under catalytic reaction conditions. Not only is it possible to detect active surface intermediates, it is also possible to detect spectator species which are not responsible for the measured turnover rates. By correlating high-pressure SFG spectra under reaction conditions and gas chromatography (GC) kinetic data, it is possible to determine which species are important under reaction intermediates. Because of the flexibility of this technique for studying surface intermediates, it is possible to determine how the structures of single crystal surfaces affect the observed rates of catalytic reactions. As an example of a structure insensitive reaction, ethylene hydrogenation was explored on both Pt(111) and Pt(100). The rates were determined to be essentially the same. It was observed that both ethylidyne and di-(sigma) bonded ethylene were present on the surface under reaction conditions on both crystals, although in different concentrations. This result shows that these two species are not responsible for the measured turnover rate, as it would be expected that one of the two crystals would be more active than the other, since the concentration of the surface intermediate would be different on the two crystals. The most likely active intermediates are weakly adsorbed molecules such as(pi)-bonded ethylene and ethyl. These species are not easily detected because their concentration lies at the detection limit of SFG. The SFG spectra and GC data essentially show that ethylene hydrogenation is structure insensitive for Pt(111) and Pt(100). SFG has proven to be a unique and excellent technique for studying adsorbed species on single crystal surfaces under high-pressure catalytic reactions. Coupled with kinetic data obtained from gas chromatography measurements, it can

  4. Magnetic properties of Co and Fe on Pt(111), Rh(111) and Pd(111): From single atoms to ultrathin films

    Energy Technology Data Exchange (ETDEWEB)

    Lehnert, Anne; Rusponi, Stefano; Etzkorn, Markus; Moulas, Geraud; Brune, Harald [IPN, EPF-Lausanne (Switzerland); Gambardella, Pietro [CREA, Catalan Institute of Nanotechnology (Spain); Bencok, Peter [ESRF, Grenoble (France)

    2009-07-01

    Single atoms of Co on Pt(111) are known to have a giant magnetic anisotropy energy (MAE) of 9.3 meV/atom. This is due to the reduced coordination and the strong spin-orbit coupling of the Pt 5d-states. In order to study the contribution of a highly polarizable substrate to the MAE, we investigated single Co atoms on Pd(111) and Rh(111) using X-ray magnetic circular dichroism (XMCD). We find a decreasing MAE moving from a 5d-substrate (Pt) to 4d-substrates (Pd and Rh). Co has a large orbital moment L of about 0.7 independent of the substrate. The easy axis is out-of-plane for Pt(111) and Pd(111) whereas it is in-plane for Co/Rh(111). Fe has on all substrates an out-of-plane easy axis, a very small anisotropy energy, and a L/S ratio of about 0.1. With increasing coverage the coordination number of the adatom increases and generally leads to a reduced MAE and orbital moment compared to the single atom. We measure one monolayer of Co and Fe on Pt(111) and Rh(111) and find MAE values <0.5 meV/atom. For 1 ML Co we find a substantial decrease in the L/S ratio to 0.19. However, the L/S ratio for 1 ML Fe on both substrates does not change much compared with the Fe single atom.

  5. Preparation of TiC single crystals

    International Nuclear Information System (INIS)

    Scheerer, B.; Fink, J.; Reichardt, W.

    1975-07-01

    TiC single crystals were prepared by vertical zone melting for measurements of the phonon dispersion by inelastic neutron scattering. The influence of the starting material and of the growing conditions on the growth of the crystal were studied. The crystals were characterized by chemical methods, EMX and neutron diffraction. It was possible to grow single crystals with a volume of up to 0.6 cm 3 and mosaic spread of less then 0.4 0 . (orig.) [de

  6. Spall response of single-crystal copper

    Science.gov (United States)

    Turley, W. D.; Fensin, S. J.; Hixson, R. S.; Jones, D. R.; La Lone, B. M.; Stevens, G. D.; Thomas, S. A.; Veeser, L. R.

    2018-02-01

    We performed a series of systematic spall experiments on single-crystal copper in an effort to determine and isolate the effects of crystal orientation, peak stress, and unloading strain rate on the tensile spall strength. Strain rates ranging from 0.62 to 2.2 × 106 s-1 and peak shock stresses in the 5-14 GPa range, with one additional experiment near 50 GPa, were explored as part of this work. Gun-driven impactors, called flyer plates, generated flat top shocks followed by spall. This work highlights the effect of crystal anisotropy on the spall strength by showing that the spall strength decreases in the following order: [100], [110], and [111]. Over the range of stresses and strain rates explored, the spall strength of [100] copper depends strongly on both the strain rate and shock stress. Except at the very highest shock stress, the results for the [100] orientation show linear relationships between the spall strength and both the applied compressive stress and the strain rate. In addition, hydrodynamic computer code simulations of the spall experiments were performed to calculate the relationship between the strain rate near the spall plane in the target and the rate of free surface velocity release during the pullback. As expected, strain rates at the spall plane are much higher than the strain rates estimated from the free surface velocity release rate. We have begun soft recovery experiments and molecular dynamics calculations to understand the unusual recompression observed in the spall signature for [100] crystals.

  7. Organic field-effect transistors using single crystals

    International Nuclear Information System (INIS)

    Hasegawa, Tatsuo; Takeya, Jun

    2009-01-01

    Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs), the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20-40 cm 2 Vs -1 , achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR) measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps. (topical review)

  8. Organic field-effect transistors using single crystals

    Directory of Open Access Journals (Sweden)

    Tatsuo Hasegawa and Jun Takeya

    2009-01-01

    Full Text Available Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs, the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20–40 cm2 Vs−1, achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps.

  9. Experimental Elucidation of the Oxygen Reduction Volcano in Base on a Pt Alloy Single Crystal

    DEFF Research Database (Denmark)

    Jensen, Kim Degn; Tymoczko, Jakub; Bandarenka, Aliaksandr S.

    2016-01-01

    and base.[1,2] In our earlier studies, we mapped out the experimental Sabatier volcano for the oxygen reduction reaction in 0.1 M HClO4 using the Cu/Pt(111) near-surface alloy system, see Figure 1 for near-surface alloy schematic.[3,4] In this study, as those of [3,4], we found that by changing...... the subsurface coverage of Cu we could tune the surface binding of the key reaction intermediate, OH; we thus monitored the OH binding energy shift through the observable shifts in the base voltammograms in both acidic and alkaline media. Further, we elucidate the experimental oxygen reduction volcano in 0.1 M...... to Pt(111). However, all surfaces show a ~4 fold improvement in activity in 0.1 M KOH, relative to the same surface in 0.1 M HClO4. At the peak of the volcano the surface exhibits an exceptionally high specific activity of 90 mA/cm2 at 0.9 V with respect to the reversible hydrogen electrode. Thus, our...

  10. Electrically Anisotropic Layered Perovskite Single Crystal

    KAUST Repository

    Li, Ting-You

    2016-04-01

    Organic-inorganic hybrid perovskites (OIHPs), which are promising materials for electronic and optoelectronic applications (1-10), have made into layered organic-inorganic hybrid perovskites (LOIHPs). These LOIHPs have been applied to thin-film transistors, solar cells and tunable wavelength phosphors (11-18). It is known that devices fabricated with single crystal exhibit the superior performance, which makes the growth of large-sized single crystals critical for future device applications (19-23). However, the difficulty in growing large-sized LOIHPs single crystal with superior electrical properties limits their practical applications. Here, we report a method to grow the centimeter-scaled LOIHP single crystal of [(HOC2H4NH3)2PbI4], demonstrating the potentials in mass production. After that, we reveal anisotropic electrical and optoelectronic properties which proved the carrier propagating along inorganic framework. The carrier mobility of in-inorganic-plane (in-plane) devices shows the average value of 45 cm2 V–1 s–1 which is about 100 times greater than the record of LOIHP devices (15), showing the importance of single crystal in device application. Moreover, the LOIHP single crystals show its ultra-short carrier lifetime of 42.7 ps and photoluminescence quantum efficiency (PLQE) of 25.4 %. We expect this report to be a start of LOIHPs for advanced applications in which the anisotropic properties are needed (24-25), and meets the demand of high-speed applications and fast-response applications.

  11. Effect of the structure and mechanical properties of the near-surface layer of lithium niobate single crystals on the manufacture of integrated optic circuits

    Science.gov (United States)

    Sosunov, A. V.; Ponomarev, R. S.; Yur'ev, V. A.; Volyntsev, A. B.

    2017-01-01

    This paper shows that the near-surface layer of a lithium niobate single layer 15 μm in depth is essentially different from the rest of the volume of the material from the standpoint of composition, structure, and mechanical properties. The pointed out differences are due to the effect of cutting, polishing, and smoothing of the lithium niobate plates, which increase the density of point defects and dislocations. The increasing density of the structural defects leads to uncontrollable changes in the conditions of the formations of waveguides and the drifting of characteristics of integrated optical circuits. The results obtained are very important for the manufacture of lithium niobate based integrated optical circuits.

  12. Dynamics of Pseudomonas aeruginosa azurin and its Cys3Ser mutant at single crystal gold surfaces investigated by cyclic voltammetry and atomic force microscopy

    DEFF Research Database (Denmark)

    Friis, Esben P.; Andersen, Jens Enevold Thaulov; Madsen, Lars Lithen

    1997-01-01

    Cyclic voltammetry of Pseudomonas aeruginosa azurin on polycrystalline gold is reversible (E0=360mV vs she;50mM ammonium acetate) but the voltammetric signals decay with time constants of about 3x10-3 s-1. No signal is observed for monocrystalline Au(111). Cys3Ser azurin is electrochemically inac...... into the solution, recovering the free Au(111) surface. The cyclic voltammetry and AFM data are consistent with time dependent adsorption of the azurins on gold via the disulphide bridge (wild-type) or free thiol group (Cys3Ser mutant).......Cyclic voltammetry of Pseudomonas aeruginosa azurin on polycrystalline gold is reversible (E0=360mV vs she;50mM ammonium acetate) but the voltammetric signals decay with time constants of about 3x10-3 s-1. No signal is observed for monocrystalline Au(111). Cys3Ser azurin is electrochemically...... inactive on either type of gold electrode but shows a reversible although decaying peak (362mV, 50mM ammonium acetate; decay time constant ~ 2x10-3 s-1) on edge-plane pyrolytic graphite.Ex situ and in situ atomic force microscopy (AFM) of the azurins on Au(111) show initially arrays of protein structures...

  13. Ion implantation induced blistering of rutile single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Xiang, Bing-Xi [School of Physics, Shandong University, Jinan, Shandong 250100 (China); Jiao, Yang [College of Physics and Electronics, Shandong Normal University, Jinan, Shandong 250100 (China); Guan, Jing [School of Physics, Shandong University, Jinan, Shandong 250100 (China); Wang, Lei [School of Physics, Shandong University, Jinan, Shandong 250100 (China); Key Laboratory of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences (China)

    2015-07-01

    The rutile single crystals were implanted by 200 keV He{sup +} ions with a series fluence and annealed at different temperatures to investigate the blistering behavior. The Rutherford backscattering spectrometry, optical microscope and X-ray diffraction were employed to characterize the implantation induced lattice damage and blistering. It was found that the blistering on rutile surface region can be realized by He{sup +} ion implantation with appropriate fluence and the following thermal annealing.

  14. Growth and microtopographic study of CuInSe{sub 2} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Chauhan, Sanjaysinh M.; Chaki, Sunil, E-mail: sunilchaki@yahoo.co.in; Deshpande, M. P. [Department of Physics, Sardar Patel University, Vallabh Vidyanagar, Gujarat - 388120 (India); Tailor, J. P. [Applied Physics Department, S.V.N.I.T., Surat, Gujarat - 395007 (India)

    2016-05-23

    The CuInSe{sub 2} single crystals were grown by chemical vapour transport (CVT) technique using iodine as transporting agent. The elemental composition of the as-grown CuInSe{sub 2} single crystals was determined by energy dispersive analysis of X-ray (EDAX). The unit cell crystal structure and lattice parameters were determined by X-ray diffraction (XRD) technique. The surface microtopographic study of the as-grown CuInSe{sub 2} single crystals surfaces were done to study the defects, growth mechanism, etc. of the CVT grown crystals.

  15. Friction stir welding of single crystal aluminium

    DEFF Research Database (Denmark)

    Fonda, Richard Warren; Wert, John A.; Reynolds, A.P.

    2007-01-01

    Friction stir welds were prepared in different orientations in an aluminium single crystal. The welds were quenched to preserve the microstructure surrounding the tool and then electron backscattered diffraction was used to reveal the generation of grain boundaries and the evolution...... of crystallographic texture around the tool in each weld. The extent of both dynamic recrystallisation and conventional recrystallisation varied considerably as a function of weld orientation. As the base plate begins to interact with the deformation field surrounding the tool, regions of the single crystal rotate...

  16. Oriented hydroxyapatite single crystals produced by the electrodeposition method

    Energy Technology Data Exchange (ETDEWEB)

    Santos, E.A. dos, E-mail: euler@ufs.br [INSA - Groupe Ingenierie des Surfaces, 24, Bld de la Victoire, 67084 Strasbourg (France); IPCMS - Departement de Surfaces et Interfaces, 23, rue du Loess, BP 43, 67034 Strasbourg (France); Moldovan, M.S. [INSA - Groupe Ingenierie des Surfaces, 24, Bld de la Victoire, 67084 Strasbourg (France); IPCMS - Departement de Surfaces et Interfaces, 23, rue du Loess, BP 43, 67034 Strasbourg (France); Jacomine, L. [INSA - Groupe Ingenierie des Surfaces, 24, Bld de la Victoire, 67084 Strasbourg (France); Mateescu, M. [IS2M - Equipe Interaction Surface-Matiere Vivant, 15, rue Jean Starcky, BP 2488, 68057 Mulhouse (France); Werckmann, J. [IPCMS - Departement de Surfaces et Interfaces, 23, rue du Loess, BP 43, 67034 Strasbourg (France); Anselme, K. [IS2M - Equipe Interaction Surface-Matiere Vivant, 15, rue Jean Starcky, BP 2488, 68057 Mulhouse (France); Mille, P.; Pelletier, H. [INSA - Groupe Ingenierie des Surfaces, 24, Bld de la Victoire, 67084 Strasbourg (France)

    2010-05-25

    We propose here the use of cathodic electrodeposition as tool to fabricate implant coatings consisting in nano/micro single crystals of hydroxyapatite (HA), preferentially orientated along the c-axis. Coating characterization is the base of this work, where we discuss the mechanisms related to the deposition of oriented hydroxyapatite thin films. It is shown that when deposited on titanium alloys, the HA coating is constituted by two distinct regions with different morphologies: at a distance of few microns from the substrate, large HA single crystals are oriented along the c-axis and appear to grow up from a base material, consisting in an amorphous HA. This organized system has a great importance for cell investigation once the variables involved in the cell/surface interaction are reduced. The use of such systems could give a new insight on the effect of particular HA orientation on the osteoblast cells.

  17. Raman analysis of gold on WSe2 single crystal film

    International Nuclear Information System (INIS)

    Mukherjee, Bablu; Sun Leong, Wei; Li, Yida; Thong, John T L; Gong, Hao; Sun, Linfeng; Xiang Shen, Ze; Simsek, Ergun

    2015-01-01

    Synthesis and characterization of high-quality single-crystal tungsten diselenide (WSe 2 ) films on a highly insulating substrate is presented. We demonstrate for the first time that the presence of gold (Au) nanoparticles in the basal plane of a WSe 2 film can enhance its Raman scattering intensity. The experimentally observed enhancement ratio in the Raman signal correlates well with the simulated electric field intensity using both three-dimensional electromagnetic software and theoretical calculation considering layered medium coupled-dipole approximation (LM-CDA). This work serves as a guideline for the use of Au nanoparticles on WSe 2 single-crystal thin films for surface enhanced Raman scattering (SERS) applications in the future. (paper)

  18. AFM studies on heavy ion irradiated YBCO single crystals

    International Nuclear Information System (INIS)

    Lakhani, Archana; Marhas, M.K.; Saravanan, P.; Ganesan, V.; Srinivasan, R.; Kanjilal, D.; Mehta, G.K.; Elizabeth, Suja; Bhat, H.L.

    2000-01-01

    Atomic Force Microscopy (AFM) is extensively used to characterise the surface morphology of high energy ion irradiated single crystals of high temperature superconductor - YBCO. Our earlier systematic studies on thin films of YBCO under high energy and heavy ion irradiation shows clear evidence of ion induced sputtering or erosion, even though the effect is more on the grain boundaries. These earlier results were supported by electrical resistance measurements. In order to understand more clearly, the nature of surface modification at these high energies, AFM studies were carried out on single crystals of YBCO. Single crystals were chosen in order to see the effect on crystallites alone without interference from grain boundaries. 200 MeV gold ions were used for investigation using the facilities available at Nuclear Science Centre, New Delhi. The type of ion and the range of energies were chosen to meet the threshold for electronically mediated defect production. The results are in conformity with our earlier studies and will be described in detail in the context of electronic energy loss mediated sputtering or erosion. (author)

  19. The interaction of water and hydrogen with nickel surfaces

    NARCIS (Netherlands)

    Shan, Junjun

    2009-01-01

    As nickel and platinum are in the same group of the periodic table, the Ni(111) and Pt(111) surfaces may be expected to show similar interaction with water and hydrogen. However in this thesis, we show these interactions for Ni(111) are quite different from those of Pt(111). Moreover, our results

  20. Lattice effects in YVO3 single crystal

    NARCIS (Netherlands)

    Marquina, C; Sikora, M; Ibarra, MR; Nugroho, AA; Palstra, TTM

    In this paper we report on the lattice effects in the Mott insulator yttrium orthovanadate (YVO3). Linear thermal expansion and magnetostriction experiments have been performed on a single crystal, in the temperature range from 5 K to room temperature. The YVO3 orders antiferromagnetically at T-N =

  1. Antiferromagnetism in chromium alloy single crystals

    DEFF Research Database (Denmark)

    Bjerrum Møller, Hans; Trego, A.L.; Mackintosh, A.R.

    1965-01-01

    The antiferromagnetism of single crystals of dilute alloys of V, Mn and Re in Cr has been studied at 95°K and 300°K by neutron diffraction. The addition of V causes the diffraction peaks to decrease in intensity and move away from (100), while Mn and Re cause them to increase and approach (100) s...

  2. Neutron forward diffraction by single crystal prisms

    Indian Academy of Sciences (India)

    We have derived analytic expressions for the deflection as well as transmitted fraction of monochromatic neutrons forward diffracted by a single crystal prism. In the vicinity of a Bragg reflection, the neutron deflection deviates sharply from that for an amorphous prism, exhibiting three orders of magnitude greater sensitivity to ...

  3. Properties of single crystal beta''-aluminas

    International Nuclear Information System (INIS)

    Bates, J.B.; Brown, G.M.; Kaneda, T.; Brundage, W.E.; Wang, J.C.; Engstrom, H.

    1979-01-01

    Large single crystals of sodium beta''-alumina were grown by slow evaporation of Na 2 O at 1690 0 C from a mixture of Na 2 CO 3 , MgO, and Al 2 O 3 . Polarized Raman measurements were made on the Na β'' single crystals and on single crystals of Li, K, Rb, and Ag β'' prepared by ion exchange of Na β''. The low frequency Raman spectra of Na, K, Rb, and Ag β'' contained four or more bands due to vibrations of the mobile cations. These results were analyzed by assuming the spectra to be due to the normal modes of a defect cluster consisting of a cation vacancy surrounded by three cations. From model calculations, the Raman band of Na β'' at 33 cm -1 is assigned to the attempt mode for diffusion of Na + ions. The structure of a Ag β'' single crystal was investigated by neutron diffraction, and 20% of the Ag + ion sites were found to be vacant

  4. Method for manufacturing a single crystal nanowire

    NARCIS (Netherlands)

    van den Berg, Albert; Bomer, Johan G.; Carlen, Edwin; Chen, S.; Kraaijenhagen, Roderik Adriaan; Pinedo, Herbert Michael

    2013-01-01

    A method for manufacturing a single crystal nano-structure is provided comprising the steps of providing a device layer with a 100 structure on a substrate; providing a stress layer onto the device layer; patterning the stress layer along the 110 direction of the device layer; selectively removing

  5. Method for manufacturing a single crystal nanowire

    NARCIS (Netherlands)

    van den Berg, Albert; Bomer, Johan G.; Carlen, Edwin; Chen, S.; Kraaijenhagen, R.A.; Pinedo, Herbert Michael

    2010-01-01

    A method for manufacturing a single crystal nano-structure is provided comprising the steps of providing a device layer with a 100 structure on a substrate; providing a stress layer onto the device layer; patterning the stress layer along the 110 direction of the device layer; selectively removing

  6. Inkjet printing of single-crystal films.

    Science.gov (United States)

    Minemawari, Hiromi; Yamada, Toshikazu; Matsui, Hiroyuki; Tsutsumi, Jun'ya; Haas, Simon; Chiba, Ryosuke; Kumai, Reiji; Hasegawa, Tatsuo

    2011-07-13

    The use of single crystals has been fundamental to the development of semiconductor microelectronics and solid-state science. Whether based on inorganic or organic materials, the devices that show the highest performance rely on single-crystal interfaces, with their nearly perfect translational symmetry and exceptionally high chemical purity. Attention has recently been focused on developing simple ways of producing electronic devices by means of printing technologies. 'Printed electronics' is being explored for the manufacture of large-area and flexible electronic devices by the patterned application of functional inks containing soluble or dispersed semiconducting materials. However, because of the strong self-organizing tendency of the deposited materials, the production of semiconducting thin films of high crystallinity (indispensable for realizing high carrier mobility) may be incompatible with conventional printing processes. Here we develop a method that combines the technique of antisolvent crystallization with inkjet printing to produce organic semiconducting thin films of high crystallinity. Specifically, we show that mixing fine droplets of an antisolvent and a solution of an active semiconducting component within a confined area on an amorphous substrate can trigger the controlled formation of exceptionally uniform single-crystal or polycrystalline thin films that grow at the liquid-air interfaces. Using this approach, we have printed single crystals of the organic semiconductor 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C(8)-BTBT) (ref. 15), yielding thin-film transistors with average carrier mobilities as high as 16.4 cm(2) V(-1) s(-1). This printing technique constitutes a major step towards the use of high-performance single-crystal semiconductor devices for large-area and flexible electronics applications.

  7. Parasitic neutron bragg reflections from large imperfect single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Naguib, K.; Adib, M

    1998-12-01

    A formula is given which allows to calculate the contribution of the total Bragg scattering from different (hkl) planes to the neutron transmission through a large imperfect single crystals. The formula takes into account the crystal structure type, its mosaic spread value, the plane along which the crystal surface is cut along and its orientation with respect to the neutron beam direction. A computer program ISCANF-1 was developed to calculate the total parasitic scattering cross-section from different (hkl) planes as well as the nuclear and diffuse scattering cross-sections. The ISCANF-1 program was applied to calculate the neutron attenuation through Cu and Zn single crystals, each of them cut along (002) planes. The calculated values of the neutron transmission through Cu and Zn crystals were compared with the measured ones in the wavelength range 0.21-0.47 nm and 0.04-0.52 nm respectively. The measured and calculated values were found to be in reasonable agreement within the statistical accuracy. The computer program ISCANF-1 was also applied to investigate the effect of parasitic Bragg scattering on the neutron filtering characteristics of both Zn and Cu single crystals as a function of their physical parameters.

  8. Parasitic neutron bragg reflections from large imperfect single crystals

    International Nuclear Information System (INIS)

    Naguib, K.; Adib, M.

    1998-01-01

    A formula is given which allows to calculate the contribution of the total Bragg scattering from different (hkl) planes to the neutron transmission through a large imperfect single crystals. The formula takes into account the crystal structure type, its mosaic spread value, the plane along which the crystal surface is cut along and its orientation with respect to the neutron beam direction. A computer program ISCANF-1 was developed to calculate the total parasitic scattering cross-section from different (hkl) planes as well as the nuclear and diffuse scattering cross-sections. The ISCANF-1 program was applied to calculate the neutron attenuation through Cu and Zn single crystals, each of them cut along (002) planes. The calculated values of the neutron transmission through Cu and Zn crystals were compared with the measured ones in the wavelength range 0.21-0.47 nm and 0.04-0.52 nm respectively. The measured and calculated values were found to be in reasonable agreement within the statistical accuracy. The computer program ISCANF-1 was also applied to investigate the effect of parasitic Bragg scattering on the neutron filtering characteristics of both Zn and Cu single crystals as a function of their physical parameters

  9. Structure vs chemistry: friction and wear of Pt-based metallic surfaces.

    Science.gov (United States)

    Caron, A; Louzguine-Luzguin, D V; Bennewitz, R

    2013-11-13

    In comparison of a Pt57.5Cu14.7Ni5.3P22.5 metallic glass with a Pt(111) single crystal we find that wearless friction is determined by chemistry through bond formation alloying, while wear is determined by structure through plasticity mechanisms. In the wearless regime, friction is affected by the chemical composition of the counter body and involves the formation of a liquid-like neck and interfacial alloying. The wear behavior of Pt-based metallic surfaces is determined by their structural properties and corresponding mechanisms for plastic deformation. In the case of Pt(111) wear occurs by dislocation-mediated homogeneous plastic deformation. In contrast the wear of Pt57.5Cu14.7Ni5.3P22.5 metallic glass occurs through localized plastic deformation in shear bands that merge together in a single shear zone above a critical load and corresponds to the shear softening of metallic glasses. These results open a new route in the control of friction and wear of metals and are relevant for the development of self-lubricated and wear-resistant mechanical devices.

  10. Single-Crystal Diamond Nanobeam Waveguide Optomechanics

    Science.gov (United States)

    Khanaliloo, Behzad; Jayakumar, Harishankar; Hryciw, Aaron C.; Lake, David P.; Kaviani, Hamidreza; Barclay, Paul E.

    2015-10-01

    Single-crystal diamond optomechanical devices have the potential to enable fundamental studies and technologies coupling mechanical vibrations to both light and electronic quantum systems. Here, we demonstrate a single-crystal diamond optomechanical system and show that it allows excitation of diamond mechanical resonances into self-oscillations with amplitude >200 nm . The resulting internal stress field is predicted to allow driving of electron spin transitions of diamond nitrogen-vacancy centers. The mechanical resonances have a quality factor >7 ×105 and can be tuned via nonlinear frequency renormalization, while the optomechanical interface has a 150 nm bandwidth and 9.5 fm /√{Hz } sensitivity. In combination, these features make this system a promising platform for interfacing light, nanomechanics, and electron spins.

  11. Single-Crystal Diamond Nanobeam Waveguide Optomechanics

    Directory of Open Access Journals (Sweden)

    Behzad Khanaliloo

    2015-12-01

    Full Text Available Single-crystal diamond optomechanical devices have the potential to enable fundamental studies and technologies coupling mechanical vibrations to both light and electronic quantum systems. Here, we demonstrate a single-crystal diamond optomechanical system and show that it allows excitation of diamond mechanical resonances into self-oscillations with amplitude >200  nm. The resulting internal stress field is predicted to allow driving of electron spin transitions of diamond nitrogen-vacancy centers. The mechanical resonances have a quality factor >7×10^{5} and can be tuned via nonlinear frequency renormalization, while the optomechanical interface has a 150 nm bandwidth and 9.5  fm/sqrt[Hz] sensitivity. In combination, these features make this system a promising platform for interfacing light, nanomechanics, and electron spins.

  12. Bloch walls in a nickel single crystal

    International Nuclear Information System (INIS)

    Peters, J.; Treimer, W.

    2001-01-01

    We present a consistent theory for the dependence of the magnetic structure in bulk samples on external static magnetic fields and corresponding experimental results. We applied the theory of micromagnetism to this crystal and calculated the Bloch wall thickness as a function of external magnetic fields. The theoretical results agree well with the experimental data, so that the Bloch wall thickness of a 71 deg. nickel single crystal was definitely determined with some hundred of nanometer

  13. Single crystal spectrometer FOX at KENS

    International Nuclear Information System (INIS)

    Takahashi, M.

    2001-01-01

    Single crystal spectrometer FOX installed at H1 thermal neutron line on KENS has been renewed recently for the measurement of very weak scattering. We have installed a multidetector system of 36 linearly placed 3 He detectors with collimators instead of former four-circle diffractometer and scintillator detectors. Though the system is quite simple, a large two-dimensional reciprocal space is observed effectively with high S/N rate on new FOX. (author)

  14. The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations

    DEFF Research Database (Denmark)

    Tripkovic, Vladimir; Skulason, Egill; Siahrostami, Samira

    2010-01-01

    We study the oxygen reduction reaction (ORR) mechanism on a Pt(1 1 1) surface using density functional theory calculations We find that at low overpotentials the surface is covered with a half dissociated water layer We estimate the barrier for proton transfer to this surface and the barrier...

  15. Determination of the apparent transfer coefficient for CO oxidation on Pt(poly), Pt(111), Pt(665) and Pt(332) using a potential modulation technique.

    Science.gov (United States)

    Wang, Han-Chun; Ernst, Siegfried; Baltruschat, Helmut

    2010-03-07

    The apparent transfer coefficient, which gives the magnitude of the potential dependence of the electrochemical reaction rates, is the key quantity for the elucidation of electrochemical reaction mechanisms. We introduce the application of an ac method to determine the apparent transfer coefficient alpha' for the oxidation of pre-adsorbed CO at polycrystalline and single-crystalline Pt electrodes in sulfuric acid. The method allows to record alpha' quasi continuously as a function of potential (and time) in cyclic voltammetry or at a fixed potential, with the reaction rate varying with time. At all surfaces (Pt(poly), Pt(111), Pt(665), and Pt(332)) we clearly observed a transition of the apparent transfer coefficient from values around 1.5 at low potentials to values around 0.5 at higher potentials. Changes of the apparent transfer coefficients for the CO oxidation with potential were observed previously, but only from around 0.7 to values as low as 0.2. In contrast, our experimental findings completely agree with the simulation by Koper et al., J. Chem. Phys., 1998, 109, 6051-6062. They can be understood in the framework of a Langmuir-Hinshelwood mechanism. The transition occurs when the sum of the rate constants for the forward reaction (first step: potential dependent OH adsorption, second step: potential dependent oxidation of CO(ad) with OH(ad)) exceeds the rate constant for the back-reaction of the first step. We expect that the ac method for the determination of the apparent transfer coefficient, which we used here, will be of great help also in many other cases, especially under steady conditions, where the major limitations of the method are avoided.

  16. The tensile effect on crack formation in single crystal silicon irradiated by intense pulsed ion beam

    Science.gov (United States)

    Liang, Guoying; Shen, Jie; Zhang, Jie; Zhong, Haowen; Cui, Xiaojun; Yan, Sha; Zhang, Xiaofu; Yu, Xiao; Le, Xiaoyun

    2017-10-01

    Improving antifatigue performance of silicon substrate is very important for the development of semiconductor industry. The cracking behavior of silicon under intense pulsed ion beam irradiation was studied by numerical simulation in order to understand the mechanism of induced surface peeling observed by experimental means. Using molecular dynamics simulation based on Stillinger Weber potential, tensile effect on crack growth and propagation in single crystal silicon was investigated. Simulation results reveal that stress-strain curves of single crystal silicon at a constant strain rate can be divided into three stages, which are not similar to metal stress-strain curves; different tensile load velocities induce difference of single silicon crack formation speed; the layered stress results in crack formation in single crystal silicon. It is concluded that the crack growth and propagation is more sensitive to strain rate, tensile load velocity, stress distribution in single crystal silicon.

  17. Twinning behavior in the Ti-5at.% Al single crystals during cyclic loading along [0001

    International Nuclear Information System (INIS)

    Xiao Lin

    2005-01-01

    Cyclic deformation behavior of Ti-5at.% Al single crystals subjected to pull-push cyclic load along [0001] crystallographic orientation was studied. A higher cyclic stress response was displayed in the Ti-5Al single crystal oriented for [0001] than that oriented for single prism slip. Optical microscopy and transmission electron microscopy examinations show that twinning is a dominant plastic deformation mode in the single crystals during cycling. Trace analysis of prepolished surfaces was used to identify the twin systems primarily responsible for deformation. The major twin type observed was {101-bar 2}, {112-bar 2}, {101-bar 1} and {112-bar 1}. slip was observed in the neighboring region of twins in the fatigued specimens. The activation of multiple twinning systems contributed to the higher cyclic saturation stress in Ti-5Al single crystals oriented for [0001

  18. Isotopically pure single crystal epitaxial diamond films and their preparation

    International Nuclear Information System (INIS)

    Banholzer, W.F.; Anthony, T.R.; Williams, D.M.

    1992-01-01

    The present invention is directed to the production of single crystal diamond consisting of isotopically pure carbon-12 or carbon-13. In the present invention, isotopically pure single crystal diamond is grown on a single crystal substrate directly from isotopically pure carbon-12 or carbon-13. One method for forming isotopically pure single crystal diamond comprises the steps of placing in a reaction chamber a single substrate heated to an elevated diamond forming temperature. Another method for forming isotopically pure single crystal diamond comprises diffusing isotopically pure carbon-12 or carbon-13 through a metallic catalyst under high pressure to a region containing a single crystal substrate to form an isotopically pure single crystal diamond layer on said single crystal substrate

  19. The sublimation kinetics of GeSe single crystals

    Science.gov (United States)

    Irene, E. A.; Wiedemeier, H.

    1975-01-01

    The sublimation kinetics of (001) oriented GeSe single crystal platelets was studied by high-temperature mass spectroscopy, quantitative vacuum microbalance techniques, and hot stage optical microscopy. For a mean experimental temperature of 563 K, the activation enthalpy and entropy are found to equal 32.3 kcal/mole and 19.1 eu, respectively. The vaporization coefficient is less than unity for the range of test temperatures, and decreases with increasing temperature. The combined experimental data are correlated by means of a multistep surface adsorption mechanism.

  20. Gallium arsenide single crystal solar cell structure and method of making

    Science.gov (United States)

    Stirn, Richard J. (Inventor)

    1983-01-01

    A production method and structure for a thin-film GaAs crystal for a solar cell on a single-crystal silicon substrate (10) comprising the steps of growing a single-crystal interlayer (12) of material having a closer match in lattice and thermal expansion with single-crystal GaAs than the single-crystal silicon of the substrate, and epitaxially growing a single-crystal film (14) on the interlayer. The material of the interlayer may be germanium or graded germanium-silicon alloy, with low germanium content at the silicon substrate interface, and high germanium content at the upper surface. The surface of the interface layer (12) is annealed for recrystallization by a pulsed beam of energy (laser or electron) prior to growing the interlayer. The solar cell structure may be grown as a single-crystal n.sup.+ /p shallow homojunction film or as a p/n or n/p junction film. A Ga(Al)AS heteroface film may be grown over the GaAs film.

  1. Tuning coercive force by adjusting electric potential in solution processed Co/Pt(111) and the mechanism involved

    Science.gov (United States)

    Chang, Cheng-Hsun-Tony; Kuo, Wei-Hsu; Chang, Yu-Chieh; Tsay, Jyh-Shen; Yau, Shueh-Lin

    2017-03-01

    A combination of a solution process and the control of the electric potential for magnetism represents a new approach to operating spintronic devices with a highly controlled efficiency and lower power consumption with reduced production cost. As a paradigmatic example, we investigated Co/Pt(111) in the Bloch-wall regime. The depression in coercive force was detected by applying a negative electric potential in an electrolytic solution. The reversible control of coercive force by varying the electric potential within few hundred millivolts is demonstrated. By changing the electric potential in ferromagnetic layers with smaller thicknesses, the efficiency for controlling the tunable coercive force becomes higher. Assuming that the pinning domains are independent of the applied electric potential, an electric potential tuning-magnetic anisotropy energy model was derived and provided insights into our knowledge of the relation between the electric potential tuning coercive force and the thickness of the ferromagnetic layer. Based on the fact that the coercive force can be tuned by changing the electric potential using a solution process, we developed a novel concept of electric-potential-tuned magnetic recording, resulting in a stable recording media with a high degree of writing ability.

  2. Radiation effects in corundum single crystals

    International Nuclear Information System (INIS)

    Gevorkyan, V.A.; Harutunyan, V.V.; Hakhverdyan, E.A.

    2005-01-01

    On the basis of new experimental results and analysis of publications it is shown that in the lattice of corundum crystals the high-energy particles create stable structural defects due to knocking out of atoms from normal sites of the anionic sublattice; this leads to the formation of F and F '+ centers as well as to other complex [Al i '+ F] type color centers. The essence of 'radiation memory' effect in corundum single crystals is that the high-energy particles irradiation, annealing at high temperatures and additional irradiation by X-rays result in the restoration of some spectral bands of the optical absorption in the range 200-650 nm

  3. Single Crystal Filters for Neutron Spectrometry

    International Nuclear Information System (INIS)

    Habib, N.

    2008-01-01

    A study of neutron transmission properties trough a large single crystals specimens of Si, Ge, Pb, Bi and sapphire at 300 K and 80 K have been made for a wide range of neutron energies. The effectiveness of such filters is given by the ratio of the total cross-section of unwanted epithermal neutrons to that the desired thermal neutron beam and by the optimum choice of the crystal orientation, its mosaic spread, thickness and temperature.Our study indicates that sapphire is significantly more effective than the others for a wide range of neutron energies

  4. Chemisorption of pentacene on Pt(111) with a little molecular distortion

    DEFF Research Database (Denmark)

    Brivio, Gian Paolo; Ugolotti, Aldo; Harivyasi, Shashank S.

    2017-01-01

    We investigated the adsorption of pentacene on the (111) surface of platinum, which is an archetypal system for a junction with a low charge-injection barrier. We probed the structural and electronic configurations of pentacene by scanning tunnelling microscopy (STM), X-ray photoemission...

  5. Effect of indium and antimony doping in SnS single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Chaki, Sunil H., E-mail: sunilchaki@yahoo.co.in; Chaudhary, Mahesh D.; Deshpande, M.P.

    2015-03-15

    Highlights: • Single crystals growth of pure SnS, indium doped SnS and antimony doped SnS by direct vapour transport (DVT) technique. • Doping of In and Sb occurred in SnS single crystals by cation replacement. • The replacement mechanism ascertained by EDAX, XRD and substantiated by Raman spectra analysis. • Dopants concentration affects the optical energy bandgap. • Doping influences electrical transport properties. - Abstract: Single crystals of pure SnS, indium (In) doped SnS and antimony (Sb) doped SnS were grown by direct vapour transport (DVT) technique. Two doping concentrations of 5% and 15% each were employed for both In and Sb dopants. Thus in total five samples were studied viz., pure SnS (S1), 5% In doped SnS (S2), 15% In doped SnS (S3), 5% Sb doped SnS (S4) and 15% Sb doped SnS (S5). The grown single crystal samples were characterized by evaluating their surface microstructure, stoichiometric composition, crystal structure, Raman spectroscopy, optical and electrical transport properties using appropriate techniques. The d.c. electrical resistivity and thermoelectric power variations with temperature showed semiconducting and p-type nature of the as-grown single crystal samples. The room temperature Hall Effect measurements further substantiated the semiconducting and p-type nature of the as-grown single crystal samples. The obtained results are deliberated in detail.

  6. The new single crystal diffractometer SC3

    International Nuclear Information System (INIS)

    Schefer, J.; Koch, M.; Keller, P.; Fischer, S.; Thut, R.

    1996-01-01

    Single crystal diffraction is a powerful method for the determination of precise structure parameters, superlattices, stress. Neutron single crystal diffraction gives additionally to X-rays information on magnetic structures, both commensurate and incommensurate, hydrogen positions, hydrogen bonding behavior and accurate bondlengths, e.g. important in cuprates. The method is therefore especially powerful if combined with X-ray diffraction results. The new instrument at SINQ has been designed for inorganic materials and is positioned at a thermal beam tube, pointing on a water scatterer. This scatterer is presently operating with H 2 O at ambient temperature, but a change to another medium at different temperature is possible. The instrument will be equipped with three area detectors, moving at fixed difference in 2Θ. each detector may be individually moved around a vertical circle (tilting angle γ), allowing to use not only 4-circle geometry in the temperature range from 1.5 to 380 K, but also any equipment from a dilution refrigerator (7 mK) to a heavy magnet. A high temperature furnace for 4-circle geometry is foreseen as a future option. (author) 6 figs., 1 tab., 7 refs

  7. The new single crystal diffractometer SC3

    Energy Technology Data Exchange (ETDEWEB)

    Schefer, J; Koch, M; Keller, P; Fischer, S; Thut, R [Lab. for Neutron Scattering ETH Zurich, Zurich (Switzerland) and Paul Scherrer Institute, Villigen (Switzerland)

    1996-11-01

    Single crystal diffraction is a powerful method for the determination of precise structure parameters, superlattices, stress. Neutron single crystal diffraction gives additionally to X-rays information on magnetic structures, both commensurate and incommensurate, hydrogen positions, hydrogen bonding behavior and accurate bondlengths, e.g. important in cuprates. The method is therefore especially powerful if combined with X-ray diffraction results. The new instrument at SINQ has been designed for inorganic materials and is positioned at a thermal beam tube, pointing on a water scatterer. This scatterer is presently operating with H{sub 2}O at ambient temperature, but a change to another medium at different temperature is possible. The instrument will be equipped with three area detectors, moving at fixed difference in 2{Theta}. each detector may be individually moved around a vertical circle (tilting angle {gamma}), allowing to use not only 4-circle geometry in the temperature range from 1.5 to 380 K, but also any equipment from a dilution refrigerator (7 mK) to a heavy magnet. A high temperature furnace for 4-circle geometry is foreseen as a future option. (author) 6 figs., 1 tab., 7 refs.

  8. Platinum single crystal electrodes for the electrocatalysis of methane oxidation

    Directory of Open Access Journals (Sweden)

    Mayara Munaretto

    2011-03-01

    Full Text Available The main objective of this paper is to characterize the voltammetric profiles of platinum single crystals of low Miller indexes Pt(100 and Pt(110 and study their catalytic activities on the oxidation of methane. In this way, it was developed a metallic surface modified by presence of other metal oxide, which presents catalytic activity for this reaction. It is well known that the electrooxidation of methane (CH4 leads mainly to the formation of CO2 and H2O, however, the oxidation can also lead to the formation of CO, a reaction intermediate that has strong interaction with metal surfaces, such as platinum. This molecule tends to accumulate on the platinum surface and to passive it, due to the self-poisoning, decreasing its catalytic activity. Therefore, the main aim of this work was the development of a platinum electrode modified by deposition of titanium oxide, which presented electrocatalytic properties for the oxidation of methane.

  9. Mesoscale martensitic transformation in single crystals of topological defects

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xiao; Martínez-González, José A.; Hernández-Ortiz, Juan P.; Ramírez-Hernández, Abelardo; Zhou, Ye; Sadati, Monirosadat; Zhang, Rui; Nealey, Paul F.; de Pablo, Juan J.

    2017-09-05

    Liquid crystal blue phases (BPs) are highly ordered at two levels. Molecules exhibit orientational order at nanometer length scales, while chirality leads to ordered arrays of doubletwisted cylinders over micrometer scales. Past studies of polycrystalline BPs were challenged by grain boundaries between randomly oriented crystalline nanodomains. Here, the nucleation of BPs is controlled with considerable precision by relying on chemically nano-patterned surfaces, leading to macroscopic single-crystal BP specimens where the dynamics of meso-crystal formation can be directly observed. Theory and experiments show that transitions between two BPs having a different network structure proceed through local re-organization of the crystalline array, without diffusion of the double twisted cylinders. In solid crystals, martensitic transformations between crystal structures involve the concerted motion of a few atoms, without diffusion. The transformation between BPs, where crystal features arise in the sub-micron regime, is found to be martensitic in nature, with the diffusion-less feature associated to the collective behavior of the double twist cylinders. Single-crystal BPs are shown to offer fertile grounds for the study of directed crystal-nucleation and the controlled growth of soft matter.

  10. Low-Energy Electron-Stimulated Luminescence of Thin H20 and D20 Layers on Pt(111)

    International Nuclear Information System (INIS)

    Petrik, Nikolay G.; Kimmel, Greg A.

    2005-01-01

    The electron-stimulated luminescence (ESL) from amorphous solid water and crystalline ice films deposited on Pt(111) at 100 K is investigated as a function of the film thickness, incident electron energy (5 ? 1000 eV), isotopic composition, and film structure. The ESL emission spectrum has a characteristic double-peaked shape that has been attributed to a transition between a superexcited state ( ) and the dissociative, first excited state ( ) in water: Comparing the electron-stimulated luminescence and O2 electron-stimulated desorption (ESD) yields versus incident electron energy, we find the ESL threshold blue-shifted from the O2 ESD threshold by ∼3 eV, which is close to the center of the emission spectrum near 400 nm and supports the assignment for the ESL. For thin films, radiative and non-radiative interactions with the substrate tend to quench the luminescence. The luminescence yield increases with coverage since the interactions with the substrate become less important. The ESL yield from D2O is ∼ 4 times higher than from H2O. Using layered films of H2O and D2O, this sizable isotopic effect on the ESL is exploited to spatially profile the luminescence emission within the ASW films. These experiments show that most of the luminescence is emitted from within the penetration depth of the incident electron. However, the results depend on the order of the isotopes in the film, and this asymmetry can be modeled by assuming some migration of the excited states within the film. The ESL is very sensitive to defects and structural changes in solid water, and the emission yield is significantly higher from amorphous films than from crystalline ice

  11. Press forging of single crystal calcium fluoride

    International Nuclear Information System (INIS)

    Turk, R.R.

    1975-01-01

    Single crystals of high-purity calcium fluoride have been deformed uniaxially in an attempt to improve strength and resistance to cleavage, without impairing infrared transmission. Order of magnitude increases in strength, such as those found in forged KCl, have not been attained, but fine-grained polycrystalling material has been produced which is resistant to crystalline cleavage. Deformation rates of 10 -2 min -1 , reductions of 10 to 73 percent in height, and deformation temperatures of 550 to 1000 0 C have been used. Flexural strengths over 13,000 psi and grain sizes down to 5 μm have been obtained. Reduction of residual stress through heat treatment has been studied, and resultant techniques applied before, during, and after deformation. No increase in infrared absorption has been noted at the CO laser wavelength of 5.3 μm

  12. Colour centre-free perovskite single crystals

    International Nuclear Information System (INIS)

    Petit, Pierre-Olivier; Petit, Johan; Goldner, Philippe; Viana, Bruno

    2009-01-01

    Yb 3+ :YAlO 3 (YAP) and Yb 3+ :GdAlO 3 (GAP) are interesting 1 μm high-power laser media thanks to their very good thermo-mechanical properties. However, as-grown perovskite single crystals exhibit colour centres. Parasitic thermal load generated by these centres is deleterious for high-power laser action and can lead to crystal damages. Moreover these defects decrease Yb 3+ lifetime. They are related to trapped holes on the oxygen network. In the present work, several schemes to remove colour centres are presented. Attention is focused on cerium codoping, thermal annealing under reducing atmosphere and growth of non-stoechiometric compounds.

  13. Electronic structure of single crystal C60

    International Nuclear Information System (INIS)

    Wu, J.; Shen, Z.X.; Dessau, D.S.; Cao, R.; Marshall, D.S.; Pianetta, P.; Lindau, I.; Yang, X.; Terry, J.; King, D.M.; Wells, B.O.; Elloway, D.; Wendt, H.R.; Brown, C.A.; Hunziker, H.; Vries, M.S. de

    1992-01-01

    We report angle-resolved photoemission data from single crystals of C 60 cleaved in UHV. Unlike the other forms of pure carbon, the valence band spectrum of C 60 consists of many sharp features that can be essentially accounted for by the quantum chemical calculations describing individual molecules. This suggests that the electronic structure of solid C 60 is mainly determined by the bonding interactions within the individual molecules. We also observe remarkable intensity modulations of the photoemission features as a function of photon energy, suggesting strong final state effects. Finally, we address the issue of the band width of the HOMO state of C 60 . We assert that the width of the photoemission peak of C 60 does not reflect the intrinsic band width because it is broadened by the non 0-0 transitions via the Franck-Condon principle. Our view point provides a possible reconciliation between these photoemission data and those measured by other techniques. (orig.)

  14. Photoluminescent properties of single crystal diamond microneedles

    Science.gov (United States)

    Malykhin, Sergey A.; Ismagilov, Rinat R.; Tuyakova, Feruza T.; Obraztsova, Ekaterina A.; Fedotov, Pavel V.; Ermakova, Anna; Siyushev, Petr; Katamadze, Konstantin G.; Jelezko, Fedor; Rakovich, Yury P.; Obraztsov, Alexander N.

    2018-01-01

    Single crystal needle-like diamonds shaped as rectangular pyramids were produced by combination of chemical vapor deposition and selective oxidation with dimensions and geometrical characteristics depending on the deposition process parameters. Photoluminescence spectra and their dependencies on wavelength of excitation radiation reveal presence of nitrogen- and silicon-vacancy color centers in the diamond crystallites. Photoluminescence spectra, intensity mapping, and fluorescence lifetime imaging microscopy indicate that silicon-vacancy centers are concentrated at the crystallites apex while nitrogen-vacancy centers are distributed over the whole crystallite. Dependence of the photoluminescence on excitation radiation intensity demonstrates saturation and allows estimation of the color centers density. The combination of structural parameters, geometry and photoluminescent characteristics are prospective for advantageous applications of these diamond crystallites in quantum information processing and optical sensing.

  15. Hydrogen Annealing Of Single-Crystal Superalloys

    Science.gov (United States)

    Smialek, James L.; Schaeffer, John C.; Murphy, Wendy

    1995-01-01

    Annealing at temperature equal to or greater than 2,200 degrees F in atmosphere of hydrogen found to increase ability of single-crystal superalloys to resist oxidation when subsequently exposed to oxidizing atmospheres at temperatures almost as high. Supperalloys in question are principal constituents of hot-stage airfoils (blades) in aircraft and ground-based turbine engines; also used in other high-temperature applications like chemical-processing plants, coal-gasification plants, petrochemical refineries, and boilers. Hydrogen anneal provides resistance to oxidation without decreasing fatigue strength and without need for coating or reactive sulfur-gettering constituents. In comparison with coating, hydrogen annealing costs less. Benefits extend to stainless steels, nickel/chromium, and nickel-base alloys, subject to same scale-adhesion and oxidation-resistance considerations, except that scale is chromia instead of alumina.

  16. White beam synchrotron fractography of molybdenum and niobium single crystals

    International Nuclear Information System (INIS)

    Bilello, J.C.; Hmelo, A.B.

    1983-01-01

    It has been demonstrated that a White Beam Synchrotron reflection technique can be used to characterize the fracture surface of Mo and Nb single crystals. This technique when used in conjunction with Berg-Barrett (or in the future monochromatic synchrotron topography) gives detailed information which correlates the internal defect structure to the cleavage surface morphology. In particular, synchrotron fractography has revealed the full extent of the plastic zone associated with a precursor crack, has clearly identified the nature of the initial crack where more than one precursor could have existed, and give detailed information on the extent of twinning and microtwinning. In comparison with other fractography methods for such semi-brittle metals the White Beam Synchrotron method not only achieves rapid data collection, but also provides internal defect structure correlation non-destructively. (author)

  17. Temperature dependence of magnetoresistance in copper single crystals

    Science.gov (United States)

    Bian, Q.; Niewczas, M.

    2018-03-01

    Transverse magnetoresistance of copper single crystals has been measured in the orientation of open-orbit from 2 K to 20 K for fields up to 9 T. The experimental Kohler's plots display deviation between individual curves below 16 K and overlap in the range of 16 K-20 K. The violation of the Kohler's rule below 16 K indicates that the magnetotransport can not be described by the classical theory of electron transport on spherical Fermi surface with a single relaxation time. A theoretical model incorporating two energy bands, spherical and cylindrical, with different relaxation times has been developed to describe the magnetoresistance data. The calculations show that the electron-phonon scattering rates at belly and neck regions of the Fermi surface have different temperature dependencies, and in general, they do not follow T3 law. The ratio of the relaxation times in belly and neck regions decreases parabolically with temperature as A - CT2 , with A and C being constants.

  18. The characterization of tungsten disulfide single crystals doped with gold

    International Nuclear Information System (INIS)

    Dumcenco, D.O.; Huang, Y.S.; Tiong, K.K.; Liang, C.H.; Chen, C.H.

    2007-01-01

    Single crystals of WS 2 doped with gold (WS 2 :Au) have been grown by the chemical vapour transport method using iodine as a transporting agent. Hall measurements indicate that the samples are p-type in nature. The doping effect of the materials are characterized by conductivity, surface photovoltage and piezo reflectance measurements. The higher conductivity respect to that of the undoped one suggests that more charge carriers are available for conduction in the doped compound. The surface photovoltage spectrum reveals an impurity level located below the A exciton. The direct band-edge excitonic transition energies for WS 2 :Au show redshifts and the broadening parameters of the excitonic transition features increase due to impurity scattering. (authors)

  19. Morphology of growth of Bi2Sr2CaCu2O8 single crystals

    Science.gov (United States)

    Indenbom, M. V.; van der Beek, C. J.; Berseth, V.; Wolf, Th.; Berger, H.; Benoit, W.

    1996-12-01

    A good correlation of twins on the basal surface of flux-grown Bi2Sr2CaCu2Ox (BSCCO) single crystals with surface. growth steps is observed, the b-axis being perpendicular to the steps and, thus, parallel to the growth direction. It is found that mono-twin BSCCO single crystals produced by the travelling solvent floating zone method also grow preferentially along b, i.e. nearly perpendicularly to the boule axis, contrary to the common belief. This new understanding of the morphology of growth explains the nature of major defects in these crystals, which considerably change their measured superconducting properties, in a different way.

  20. Atomic structures and mechanical properties of single-crystal GaN nanotubes

    International Nuclear Information System (INIS)

    Xu, B.; Lu, A.J.; Pan, B.C.; Yu, Q.X.

    2005-01-01

    An approach is proposed to theoretically construct a realistic single-crystal GaN nanotube at atomic scale. The generated atomic structures of the single-crystal GaN nanotubes match the structural aspects from experiment very well. Our energetic calculations show that a single-crystal GaN nanotube with [100]-oriented lateral facets is more stable than that with [110]-oriented lateral facets, when they have around the same wall thickness. For a specified orientation of the lateral facets on the single-crystal GaN nanotubes, the energetic stabilities of the tubes obey a P rule, in which P is the ratio of the number of four-coordinated atoms to the number of three-coordinated atoms. Furthermore, the Young's modulus of the considered GaN nanotubes decrease with increasing the ratio of the number of bulk atoms to the number of surface atoms in each type of tube. Our calculations and analysis demonstrate that the surface effect of a single-crystal nanotube enhances its Young's modulus significantly

  1. 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

  2. Nucleation of recrystallisation in castings of single crystal Ni-based superalloys

    International Nuclear Information System (INIS)

    Mathur, Harshal N.; Panwisawas, Chinnapat; Jones, C. Neil; Reed, Roger C.; Rae, Catherine M.F.

    2017-01-01

    Recrystallisation in single crystal Ni-based superalloys during solution heat treatment results in a significant cost to the investment casting industry. In this paper two sources of surface nucleation have been identified in the alloy CMSX-4 ® . Firstly, Electron Backscattered Diffraction (EBSD) has revealed micro-grains of γ′, between 2 and 30 μm diameter in the layer of surface eutectic found in the upper part of the casting. These have high angle boundaries with respect to the bulk single crystal and a fraction coarsen during solution heat treatment. Secondly, in the lower regions where surface eutectic does not form, locally deformed regions, 5–20 μm deep, form where the metal adheres to the mould. The local strain causes misorientations up to ≈20° with respect the bulk single crystal, and after heat treatment these regions develop into small grains of similar low-angle misorientations. However, they also form twins to produce further grains which have mobile high-angle boundaries with respect to the bulk single crystal. Experiments have shown that micro-grains at the surface grow to cause full recrystallisation where there is sufficient strain in the bulk material, and by removing these surface defects, recrystallisation can be completely mitigated. Etching of the cast surface is demonstrated to be an effective method of achieving this.

  3. Synthesis and ultrastructure of plate-like apatite single crystals as a model for tooth enamel

    International Nuclear Information System (INIS)

    Zhuang, Zhi; Yoshimura, Hideyuki; Aizawa, Mamoru

    2013-01-01

    Hydroxyapatite (HAp) is an inorganic constituent compound of human bones and teeth, with superior biocompatibility and bioactivity characteristics. Its crystal structure is hexagonal, characterized by a(b)- and c-planes. In vertebrate long bones, HAp crystals have a c-axis orientation, while in tooth enamel, they have an a(b)-axis orientation. Many methods can be used to synthesize c-axis oriented HAp single crystals; however, to the best of our knowledge, there have been no reports on a synthesis method for a(b)-axis oriented HAp single crystals. In this study, we successfully synthesized plate-like HAp crystals at the air–liquid interface of a starting solution via an enzyme reaction of urea with urease. Crystal phase analysis and ultrastructure observations were carried out, and the results indicated that the particles were single crystals, with almost the same a(b)-axis orientation as tooth enamel. It is hoped that by utilizing their unique surface charge and atomic arrangement, the resulting particles can be used as a high-performance biomaterial, capable of adsorbing bio-related substances and a model for tooth enamel. - Highlights: ► Synthesis of plate-like hydroxyapatite crystals at air–liquid interface ► Ultrastructural analysis of plate-like hydroxyapatite crystals ► Plate-like hydroxyapatite single crystals with a high a(b)-axis orientation ► Plate-like hydroxyapatite single crystals as a model for tooth enamel

  4. BiI{sub 3} single crystal for room-temperature gamma ray detectors

    Energy Technology Data Exchange (ETDEWEB)

    Saito, T., E-mail: saito.tatsuya125@canon.co.jp [Frontier Research Center, Canon Inc., 3-30-2, Shimomaruko, Ohta-ku, Tokyo 146-8501 (Japan); Iwasaki, T. [Frontier Research Center, Canon Inc., 3-30-2, Shimomaruko, Ohta-ku, Tokyo 146-8501 (Japan); Kurosawa, S.; Yoshikawa, A. [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); New Industry Creation Hatchery Center (NICHe), Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai, Miyagi 980-8579 (Japan); Den, T. [Frontier Research Center, Canon Inc., 3-30-2, Shimomaruko, Ohta-ku, Tokyo 146-8501 (Japan)

    2016-01-11

    BiI{sub 3} single crystals were grown by the physical vapor transport method. The repeated sublimation of the starting material reduced impurities in the BiI{sub 3} single crystal to sub-ppm levels. The detector was fabricated by depositing Au electrodes on both surfaces of the 100-μm-thick BiI{sub 3} single crystal platelet. The resistivity of the BiI{sub 3} single crystal was increased by post-annealing in an iodine atmosphere (ρ=1.6×10{sup 11} Ω cm). Pulse height spectroscopy measurements showed clear peaks in the energy spectrum of alpha particles or gamma rays. It was estimated that the mobility-lifetime product was μ{sub e}τ{sub e}=3.4–8.5×10{sup −6} cm{sup 2}/V and the electron–hole pair creation energy was 5.8 eV. Our results show that BiI{sub 3} single crystals are promising candidates for detectors used in radiographic imaging or gamma ray spectroscopy.

  5. Synthesis and ultrastructure of plate-like apatite single crystals as a model for tooth enamel

    Energy Technology Data Exchange (ETDEWEB)

    Zhuang, Zhi, E-mail: zhuang@meiji.ac.jp [Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan); Yoshimura, Hideyuki, E-mail: hyoshi@isc.meiji.ac.jp [Department of Physics, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan); Aizawa, Mamoru, E-mail: mamorua@isc.meiji.ac.jp [Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan)

    2013-07-01

    Hydroxyapatite (HAp) is an inorganic constituent compound of human bones and teeth, with superior biocompatibility and bioactivity characteristics. Its crystal structure is hexagonal, characterized by a(b)- and c-planes. In vertebrate long bones, HAp crystals have a c-axis orientation, while in tooth enamel, they have an a(b)-axis orientation. Many methods can be used to synthesize c-axis oriented HAp single crystals; however, to the best of our knowledge, there have been no reports on a synthesis method for a(b)-axis oriented HAp single crystals. In this study, we successfully synthesized plate-like HAp crystals at the air–liquid interface of a starting solution via an enzyme reaction of urea with urease. Crystal phase analysis and ultrastructure observations were carried out, and the results indicated that the particles were single crystals, with almost the same a(b)-axis orientation as tooth enamel. It is hoped that by utilizing their unique surface charge and atomic arrangement, the resulting particles can be used as a high-performance biomaterial, capable of adsorbing bio-related substances and a model for tooth enamel. - Highlights: ► Synthesis of plate-like hydroxyapatite crystals at air–liquid interface ► Ultrastructural analysis of plate-like hydroxyapatite crystals ► Plate-like hydroxyapatite single crystals with a high a(b)-axis orientation ► Plate-like hydroxyapatite single crystals as a model for tooth enamel.

  6. Optical properties of Sulfur doped InP single crystals

    Science.gov (United States)

    El-Nahass, M. M.; Youssef, S. B.; Ali, H. A. M.

    2014-05-01

    Optical properties of InP:S single crystals were investigated using spectrophotometric measurements in the spectral range of 200-2500 nm. The absorption coefficient and refractive index were calculated. It was found that InP:S crystals exhibit allowed and forbidden direct transitions with energy gaps of 1.578 and 1.528 eV, respectively. Analysis of the refractive index in the normal dispersion region was discussed in terms of the single oscillator model. Some optical dispersion parameters namely: the dispersion energy (Ed), single oscillator energy (Eo), high frequency dielectric constant (ɛ∞), and lattice dielectric constant (ɛL) were determined. The volume and the surface energy loss functions (VELF & SELF) were estimated. Also, the real and imaginary parts of the complex conductivity were calculated.

  7. Growth of single-crystal YAG fiber optics.

    Science.gov (United States)

    Nie, Craig D; Bera, Subhabrata; Harrington, James A

    2016-07-11

    Single-crystal YAG (Y3Al5O12) fibers have been grown by the laser heated pedestal growth technique with losses as low as 0.3 dB/m at 1.06 μm. These YAG fibers are as long as about 60 cm with diameters around 330 μm. The early fibers were grown from unoriented YAG seed fibers and these fibers exhibited facet steps or ridges on the surface of the fiber. However, recently we have grown fibers using an oriented seed to grow step-free fibers. Scattering losses made on the fibers indicate that the scattering losses are equal to about 30% of the total loss.

  8. Angular correlation of annihilation photons in ice single crystals

    DEFF Research Database (Denmark)

    Mogensen, O. E.; Kvajic, G.; Eldrup, Morten Mostgaard

    1971-01-01

    -lattice vectors g⃗ on the direction perpendicular to the slits and the sample surface. The relative area of the central plus the side peaks was (15.2 ± 0.4)% for all curves. All the peaks are interpreted as due to parapositronium annihilation. The side peaks are explained as evidence for the positronium center......Linear-slit angular-correlation curves were obtained at - 148 °C for the [0001], [10¯10], and [11¯20] directions in single crystals of ice. Besides the narrow central peak, pronounced narrow side peaks were also observed. They occurred at angles θ=2πℏgz/mc, where gz is the projection of reciprocal...

  9. Temperature and fluence effects in lead implanted cobalt single crystals

    International Nuclear Information System (INIS)

    Johansen, A.; Sarholt-Kristensen, L.; Johnson, E.; Steenstrup, S.; Chernysh, V.S.

    1988-01-01

    The channeled sputtering yields of the hcp and fcc phases of cobalt depend on the crystal structure and the radiation induced damage. Earlier irradiations of cobalt with argon ions channeled in the hcp direction give sputtering yields higher than expected in the temperature range 100-350deg C. This effect was attributed to a combination of radiation induced damage and a possible implantation induced hcp --> fcc phase transition. Sputtering yields for cobalt single crystals irradiated with 150 keV Pb + ions along the direction of the hcp phase and the direction of the fcc phase have been measured using the weightloss method. The radiation damage and the amount of lead retained in the implanted surface has been investigated by 'in situ' RBS/channeling analysis. Measured partial sputtering yields of lead ≅ 1 atom/ion indicate preferential sputtering of lead atoms. (orig.)

  10. Production and several properties of single crystal austenitic stainless steels

    International Nuclear Information System (INIS)

    Okamoto, Kazutaka; Yoshinari, Akira; Kaneda, Junya; Aono, Yasuhisa; Kato, Takahiko

    1998-01-01

    The single crystal austenitic stainless steels Type 316L and 304L were grown in order to improve the resistance to stress corrosion cracking (SCC) using a unidirectional solidification method which can provide the large size single crystals. The mechanical properties and the chemical properties were examined. The orientation and temperature dependence of tensile properties of the single crystals were measured. The yield stress of the single crystal steels are lower than those of the conventional polycrystal steels because of the grain boundary strength cannot be expected in the single crystal steels. The tensile properties of the single crystal austenitic stainless steel Type 316L depend strongly on the orientation. The tensile strength in orientation are about 200 MPa higher than those in the and orientations. The microstructure of the single crystal consists of a mixture of the continuous γ-austenitic single crystal matrix and the δ-ferrite phase so that the effects of the γ/δ boundaries on the chemical properties were studied. The effects of the δ-ferrite phases and the γ/δ boundaries on the resistance to SCC were examined by the creviced bent beam test (CBB test). No crack is observed in all the CBB test specimens of the single crystals, even at the γ/δ boundaries. The behavior of the radiation induced segregation (RIS) at the γ/δ boundaries in the single crystal austenitic stainless steel Type 316L was evaluated by the electron irradiation test in the high voltage electron microscope (HVEM). The depletion of oversized solute chromium at the γ/δ boundary in the single crystal austenitic stainless steel Type 316L is remarkably lower than that at the grain boundary in the polycrystalline-type 316L. (author)

  11. Thermomechanical fatigue in single crystal superalloys

    Directory of Open Access Journals (Sweden)

    Moverare Johan J.

    2014-01-01

    Full Text Available Thermomechanical fatigue (TMF is a mechanism of deformation which is growing in importance due to the efficiency of modern cooling systems and the manner in which turbines and associated turbomachinery are now being operated. Unfortunately, at the present time, relatively little research has been carried out particularly on TMF of single crystal (SX superalloys, probably because the testing is significantly more challenging than the more standard creep and low cycle fatigue (LCF cases; the scarcity and relative expense of the material are additional factors. In this paper, the authors summarise their experiences on the TMF testing of SX superalloys, built up over several years. Emphasis is placed upon describing: (i the nature of the testing method, the challenges involved in ensuring that an given testing methodology is representative of engine conditions (ii the behaviour of a typical Re-containing second generation alloy such as CMSX-4, and its differing performance in out-of-phase/in-phase loading and crystallographic orientation and (iii the differences in behaviour displayed by the Re-containing alloys and new Re-free variants such as STAL15. It is demonstrated that the Re-containing superalloys are prone to different degradation mechanisms involving for example microtwinning, TCP precipitation and recrystallisation. The performance of STAL15 is not too inferior to alloys such as CMSX-4, suggesting that creep resistance itself does not correlate strongly with resistance to TMF. The implications for alloy design efforts are discussed.

  12. Cyclic deformation of Nb single crystals

    International Nuclear Information System (INIS)

    Guiu, F.; Anglada, M.

    1982-01-01

    The temperature and strain-rate dependence of the cyclic flow stress of Nb single crystals with two different axial orientations has been studied at temperatures between 175 and 350 K. This dependence is found to be independent of the crystal orientation when the internal stresses are taken into account, and the results are discussed in terms of the theory of thermally activated dislocation glide. A transition temperature can be identified at about 250 K which separates two regions with different thermally activated deformation behaviour. Above this transition temperature the strain rate can be described by a stress power law, and the activation energy can be represented by a logarithmic function of the stress, as in Escaig's model of screw dislocation mobility. In the temperature range 170 to 250 K the results are also in agreement with the more recent model proposed by Seeger. The large experimental errors inherent in the values of activation enthalpy at low stresses are emphasized and taken into account in the discussion of the results. It is suggested that either impurity-kink interactions or the flexibility of the screw dislocations are responsible for the trend towards the high values of activation enthalpy measured at the low stresses. (author)

  13. Irradiation creep in zirconium single crystals

    International Nuclear Information System (INIS)

    MacEwen, S.R.; Fidleris, V.

    1976-07-01

    Two identical single crystals of crystal bar zirconium have been creep tested in reactor. Both specimens were preirradiated at low stress to a dose of about 4 x 10 23 n/m 2 (E > 1 MeV), and were then loaded to 25 MPa. The first specimen was loaded with reactor at full power, the second during a shutdown. The loading strain for both crystals was more than an order of magnitude smaller than that observed when an identical unirradiated crystal was loaded to the same stress. Both crystals exhibited periods of primary creep, after which their creep rates reached nearly constant values when the reactor was at power. During shutdowns the creep rates decreased rapidly with time. Electron microscopy revealed that the irradiation damage consisted of prismatic dislocation loops, approximately 13.5 nm in diameter. Cleared channels, identified as lying on (1010) planes, were also observed. The results are discussed in terms of the current theories for flux enhanced creep in the light of the microstructures observed. (author)

  14. Magnetoresistance in terbium and holmium single crystals

    International Nuclear Information System (INIS)

    Singh, R.L.; Jericho, M.H.; Geldart, D.J.W.

    1976-01-01

    The longitudinal magnetoresistance of single crystals of terbium and holmium metals in their low-temperature ferromagnetic phase has been investigated in magnetic fields up to 80 kOe. Typical magnetoresistance isotherms exhibit a minimum which increases in depth and moves to higher fields as the temperature increases. The magnetoresistance around 1 0 K, where inelastic scattering is negligible, has been interpreted as the sum of a negative contribution due to changes in the domain structure and a positive contribution due to normal magnetoresistance. At higher temperatures, a phenomenological approach has been developed to extract the inelastic phonon and spin-wave components from the total measured magnetoresistance. In the temperature range 4--20 0 K (approximately), the phonon resistivity varies as T 3 . 7 for all samples. Approximate upper and lower bounds have been placed on the spin-wave resistivity which is also found to be described by a simple power law in this temperature range. The implications of this result for theoretical treatments of spin-wave resistivity due to s-f exchange interactions are considered. It is concluded that the role played by the magnon energy gap is far less transparent than previously suggested

  15. Non-destructive local determination of doping additions and main components in single crystals

    International Nuclear Information System (INIS)

    Ehksperiandova, L.P.; Blank, A.B.; Kukhtina, N.N.; Afanasiadi, L.I.

    1994-01-01

    Procedures for local non-destructive determination of elements in optical and scintillation single crystals are developed. They are applied for determination of the main components (in cadmium tungstate) and doping additions (tellurium in zinc selenide, europium in gadolinium silicate). The metrological characteristics of the developed micro-analysis methods are estimated. Segregation of the main components and doping additions in the objects under consideration are investigated. Tellurium is found to be distributed uniformly on the cross-sections of bulk zinc selenide single crystals. The segregation of europium along gadolinium silicate ingots is almost absent. On the cross-section surface of cadmium tungstate single crystals the microregions are found characterized by the prevailing contents of cadmium or tungsten

  16. Oriented growing and anisotropy of emission properties of lanthanum hexaboride single crystals

    International Nuclear Information System (INIS)

    Lazorenko, V.I.; Lotsko, D.V.; Platonov, V.F.; Kovalev, A.V.; Galasun, A.P.; Matvienko, A.A.; Klinkov, A.E.

    1987-01-01

    Single crystals of lanthanum hexaboride with preset crystallographic orientation are grown by the method of crucible-free zone melting. It is shown that oriented growing of single crystals of the given compound is possible only when using seed crystals of the required orientation because no predominant orientation of the LaB 6 growth is found in case of spontaneous crystallization. Orientation of spontaneously growing LaB 6 crystals does not depend on their growth rate, degree of the melt diffusion annealing, purity of the inital powder. Anisotropy of the electronic work function for single crystal lanthanum hexaboride is confirmed. Its value grows as (100)<(110)<(111). Conditions of the preliminary thermovacuum purification of the surface are shown to affect the measured work function

  17. The use of single-crystal iron frames in transient field measurements

    International Nuclear Information System (INIS)

    Zalm, P.C.; Laan, J. van der; Middelkoop, G. van

    1979-01-01

    Single-crystal Fe frames have been investigated for use as a ferromagnetic backing in transient magnetic field experiments. For this purpose the surface magnetization as a function of applied magnetic field has been determined with the magneto-optical Kerr effect. The frames, which have two sides parallel to the crystal axis, can be fully magnetized at low external fields such that fringing fields are negligibly small. These single-crystal Fe backings have been used in several transient magnetic field experiments. Comparison of the measured precession angles with previous results, obtained in polycrystalline Fe foils at high external magnetic fields, shows that the single-crystal backings are satisfactory. After extended periods of heavy-ion bombardment the crystals exhibited no radiation damage effects. The absence of fringing fields leads to a reduction of a factor of four in the measuring time for transient field experiments. (Auth.)

  18. Influence of submelting on formation of single crystals of nickel alloy with cellular-dendritic structure

    International Nuclear Information System (INIS)

    Pankin, G.N.; Esin, V.O.; Ponomarev, V.V.

    1996-01-01

    A study was made into specific features of cellular - dendritic structure formation in single crystals of nickel base alloy ZhS26 which had been crystallized following the pattern of solid solution. The single crystals in growing were subjected to periodic partial remelting to suppress the transition of cellular structure into a cellular - dendritic one during directional solidification. The results obtained showed the possibility to stabilize cellular growth of solid solution by way of inversion of interphase surface motion in the process of directional crystallization. 4 refs.; 5 figs

  19. In-situ TEM study of dislocation patterning during deformation in single crystal aluminum

    International Nuclear Information System (INIS)

    Landau, P; Shneck, R Z; Makov, G; Venkert, A

    2010-01-01

    The evolution of dislocation patterns in single crystal aluminum was examined using transmission electron microscopy (TEM). In-situ tensile tests of single crystals were carried out in a manner that activated double slip. Cross slip of dislocations, which is prominent in all stages of work hardening, plays an important role in dislocation motion and microstructural evolution. In spite of the limitations of in-situ straining to represent bulk phenomena, due to surface effects and the thickness of the samples, it is shown that experiments on prestrained samples can represent the early stages of deformation. Transition between stage I and stage II of work hardening and evolution during stage III were observed.

  20. Azeotropic binary solvent mixtures for preparation of organic single crystals

    NARCIS (Netherlands)

    Li, X.; Kjellander, B.K.C.; Anthony, J.E.; Bastiaansen, C.W.M.; Broer, D.J.; Gelinck, G.H.

    2009-01-01

    Here, a new approach is introduced to prepare large single crystals of π-conjugated organic molecules from solution. Utilizing the concept of azeotropism, single crystals of tri-isopropylsilylethynyl pentacene (TIPS-PEN) with dimensions up to millimeters are facilely self-assembled from homogeneous

  1. Azeotropic binary solvent mixtures for preparation of organic single crystals

    NARCIS (Netherlands)

    Li, X.; Kjellander, B.K.C.; Anthony, J.E.; Bastiaansen, C.W.M.; Broer, D.J.; Gelinck, G.H.

    2009-01-01

    Here, a new approach is introduced to prepare large single crystals of p-conjugated organic molecules from solution. Utilizing the concept of azeotropism, single crystals of tri-isopropylsilylethynyl pentacene (TIPS-PEN) with dimensions up to millimeters are facilely self-assembled from homogeneous

  2. Structural defect generation in indium antimonide single crystals during electro-erosion cutting

    International Nuclear Information System (INIS)

    Kravetskij, M.Yu.; Matsas, E.P.; Skorokhod, M.Ya.; Fomin, A.V.; Khromyak, K.Ya.

    1990-01-01

    Using X-ray topography structural defects generating during electro-erosion cutting of InSb single crystals are studied. It is shown that dislocations, are introduced into so cut dislocation-free ingot plates, nucleation centers being located on their surfaces. It is detected that foreign phase inclusions in InSb are efficient sources of dislocations during cutting

  3. The role of the anionic and cationic pt sites in the adsorption site preference of water and ethanol on defected Pt4/Pt(111) substrates: A density functional theory investigation within the D3 van der waals corrections

    Science.gov (United States)

    Seminovski, Yohanna; Amaral, Rafael C.; Tereshchuk, Polina; Da Silva, Juarez L. F.

    2018-01-01

    Platinum (Pt) atoms in the bulk face-centered cubic structure have neutral charge because they are equivalent by symmetry, however, in clean Pt surfaces, the effective charge on Pt atoms can turn slightly negative (anionic) or positive (cationic) while increasing substantially in magnitude for defected (low-coordinated) Pt sites. The effective charge affect the adsorption properties of molecular species on Pt surfaces and it can compete in importance with the coupling of the substrate-molecule electronic states. Although several studies have been reported due to the importance of Pt for catalysis, our understanding of the role played by low-coordinated sites is still limited. Here, we employ density functional theory within the Perdew-Burke-Ernzerhof exchange-correlation functional and the D3 van der Waals (vdW) correction to investigate the role of the cationic and anionic Pt sites on the adsorption properties of ethanol and water on defected Pt4/Pt(111) substrates. Four substrates were carefully selected, namely, two two-dimensional (2D) Pt4 configurations (2D-strand and 2D-island) and two tri-dimensional (3D) Pt4 (3D-fcc and 3D-hcp), to understand the role of coordination, effective charge, and coupling of the electronic states in the adsorption properties. From the Bader charge analysis, we identified the cationic and anionic sites among the Pt atoms exposed to the vacuum region in the Pt4/Pt(111) substrates. We found that ethanol and water bind via the anionic O atoms to the low-coordinated defected Pt sites of the substrates, where the angle PtOH is nearly 100° for most configurations. In the 3D-fcc or 3D-hcp defected configurations, the lowest-coordinated Pt atoms are anionic, hence, those Pt sites are not preferable for the adsorption of O atoms. The charge transfer from water and ethanol to the Pt substrates has similar magnitude for all cases, which implies similar Coulomb contribution to the adsorption energy. Moreover, we found a correlation of the

  4. Excitonic polaritons of zinc diarsenide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Syrbu, N.N., E-mail: sirbunn@yahoo.com [Technical University of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of); Stamov, I.G. [T.G. Shevchenko State University of Pridnestrovie, Tiraspol, Republic of Moldova (Moldova, Republic of); Zalamai, V.V. [Institute of Applied Physics, Academy of Sciences of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of); Dorogan, A. [Technical University of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of)

    2017-02-01

    Excitonic polaritons of ZnAs{sub 2} single crystals had been investigated. Parameters of singlet excitons with Г{sub 2}¯(z) symmetry and orthoexcitons 2Г{sub 1}¯(y)+Г{sub 2}¯(x) had been determined. Spectral dependencies of ordinary and extraordinary dispersion of refractive index had been calculated using interferential reflection and transmittance spectra. It was shown, that A excitonic series were due to hole (V{sub 1}) and electron (C{sub 1}) bands. The values of effective masses of electrons (m{sub c}{sup *}=0.10 m{sub 0}) and holes (m{sub v1}{sup *}=0.89 m{sub 0}) had been estimated. It was revealed that the hole mass m{sub v1}{sup *} changes from 1.03 m{sub 0} to 0.55 m{sub 0} at temperature increasing from 10 K up to 230 K and that the electron mass m{sub c}{sup *} does not depend on temperature. The integral absorption A (eV cm{sup −1}) of the states n=1, 2 and 3 of Г{sub 2}¯(z) excitons depends on the A{sub n}≈n{sup −3} equality, which it is characteristic for S-type excitonic functions. Temperature dependences of the integral absorption of ground states for Г{sub 2}¯(z) and Г{sub 2}¯(Ñ…) excitons differ. The ground states of B and C excitons formed by V{sub 3} – C{sub 1} and V{sub 4} – C{sub 1} bands and its parameters had been determined.

  5. Structure of cleaved (001) USb2 single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Shao-ping [Los Alamos National Laboratory; Hawley, Marilyn [Los Alamos National Laboratory; Bauer, Eric D [Los Alamos National Laboratory; Stockum, Phil B [STANFORD UNIV.; Manoharan, Hari C [STANFORD UNIV

    2009-01-01

    We have achieved what we believe to be the first atomic resolution STM images for a uranium compound taken at room temperature. The a, b, and c lattice parameters in the images confirm that the USb{sub 2} crystals cleave on the (001) basal plane as expected. The a and b dimensions were equal, with the atoms arranged in a cubic pattern. Our calculations indicate a symmetric cut between Sb planes to be the most favorable cleavage plane and U atoms to be responsible for most of the DOS measured by STM. Some strange features observed in the STM will be discussed in conjunction with ab initio calculations. The purpose of this work is to demonstrate the power of scanning tunneling microscopy (STM) techniques combined with a theoretical underpinning to determine the surface atomic structure and properties of actinide materials, such as the quasi 2-dimensional uranium dipnictide USb{sub 2} single crystal, thereby contributing to the understanding of their surface structural and electronic properties. The members of this interesting UX{sub 2} (X=P, As, Sb, Bi) series of compounds display dual localized and itinerant 5f electron behavior within the same compound due to the hybridization of the 5f orbitals with the conduction band. With the exception of UO{sub 2}, which has to be studied at elevated temperature to generate enough carriers for STM imaging, STM techniques have not been applied successfully to the characterization of the surface atomic structure of any other single crystal actinide compound, to the best of our knowledge. However, STM has been used to a limited extent for the study of some cerium compounds. STM probes electronic properties at the atomic level and can directly provide information about the local density of filled and empty states (LDOS) states simultaneously. A STM topograph provides the local atomic arrangement and spacing of the atoms on the surface, local defect structures (e.g. steps, vacancies, and kink sites) and the presence of contaminants

  6. Frictional properties of single crystals HMX, RDX and PETN explosives

    International Nuclear Information System (INIS)

    Wu, Y.Q.; Huang, F.L.

    2010-01-01

    The frictional properties of single crystals of cyclotetramethylene tetranitramine (HMX), cyclotrimethylene trinitramine (RDX) and pentaerythritol tetranitrate (PETN) secondary explosives are examined using a sensitive friction machine. The explosive crystals used for the measurements are at least 3.5 mm wide. The friction coefficients between crystals of the same explosive (i.e., HMX on HMX, etc.), crystals of different explosives (i.e., HMX on RDX, etc.), and each explosive and a well-polished gauge steel surface are determined. The frictional surfaces are also studied under an environmental scanning electron microscope (ESEM) to analyze surface microstructural changes under increasing loading forces. The friction coefficients vary considerably with increasing normal loading forces and are particularly sensitive to slider shapes, crystal roughness and the mechanical properties of both the slider and the sample. With increasing loading forces, most friction experiments show surface damage, consisting of grooves, debris, and nano-particles, on both the slider and sample. In some cases, a strong evidence of a localized molten state is found in the central region of the friction track. Possible mechanisms that affect the friction coefficient are discussed based on microscopic observations.

  7. Pulsed laser deposition of Pb(Zr0.52Ti0.48)O3 thin film on cobalt ferrite nano-seed layered Pt(111)/Si substrate: effect of oxygen pressure

    Science.gov (United States)

    Khodaei, M.; Seyyed Ebrahimi, S. A.; Park, Yong Jun; Song, Seungwoo; Jang, Hyun Myung; Son, Junwoo; Baik, Sunggi

    2014-07-01

    The effect of oxygen pressure during pulsed laser deposition of Pb(Zr0.52Ti0.48)O3 (PZT) thin films on CoFe2O4 nano-seed layered Pt(111)/Si substrate was investigated. The PZT film deposited at oxygen pressure lower than 25 mTorr is identified as both perovskite and pyrochlore phases and the films deposited at high oxygen pressure (50-100 mTorr) show the single-phase perovskite PZT that has a perfect (111)-orientation. In addition, the film deposited at PO2 of 50 mTorr has a uniform surface morphology, whereas the film deposited at PO2 of 100 mTorr has a non-uniform surface morphology and more incompacted columnar cross-section microstructure. The polarization of film deposited at 100 mTorr is higher than that deposited at 50 mTorr, but shift of the hysteresis loop along the electrical field axis in the film deposited at PO2 of 100 mTorr is larger than that of the film deposited at PO2 of 50 mTorr.

  8. Reshock and release response of aluminum single crystal

    International Nuclear Information System (INIS)

    Huang, H.; Asay, J. R.

    2007-01-01

    Reshock and release experiments were performed on single crystal aluminum along three orientations and on polycrystalline 1050 aluminum with 50 μm grain size at shock stresses of 13 and 21 GPa to investigate the mechanisms for previously observed quasielastic recompression behavior. Particle velocity profiles obtained during reshocking both single crystals and polycrystalline aluminum from initial shock stresses of 13-21 GPa show similar quasielastic recompression behavior. Quasielastic release response is also observed in all single crystals, but the magnitude of the effect is crystal orientation dependent, with [111] and [110] exhibiting more ideal elastic-plastic release for unloading from the shocked state than for the [100] orientation and polycrystalline aluminum. The quasielastic response of 1050 aluminum is intermediate to that of the [100] and [111] orientations. Comparison of the wave profiles obtained for both unloading and reloading of single crystals and polycrystalline 1050 aluminum from shocked states suggests that the observed quasielastic response of polycrystalline aluminum results from the averaging response of single crystals for shock propagation along different orientations, and that the response of 1050 aluminum with large grain boundaries is not significantly different from the results obtained on single crystal aluminum. The yield strength of the single crystals and 1050 aluminum is found to increase with shock stress, which is consistent with previous results [H. Huang and I. R. Asay, J. Appl. Phys. 98, 033524 (2005)

  9. Ultra-large single crystals by abnormal grain growth.

    Science.gov (United States)

    Kusama, Tomoe; Omori, Toshihiro; Saito, Takashi; Kise, Sumio; Tanaka, Toyonobu; Araki, Yoshikazu; Kainuma, Ryosuke

    2017-08-25

    Producing a single crystal is expensive because of low mass productivity. Therefore, many metallic materials are being used in polycrystalline form, even though material properties are superior in a single crystal. Here we show that an extraordinarily large Cu-Al-Mn single crystal can be obtained by abnormal grain growth (AGG) induced by simple heat treatment with high mass productivity. In AGG, the sub-boundary energy introduced by cyclic heat treatment (CHT) is dominant in the driving pressure, and the grain boundary migration rate is accelerated by repeating the low-temperature CHT due to the increase of the sub-boundary energy. With such treatment, fabrication of single crystal bars 70 cm in length is achieved. This result ensures that the range of applications of shape memory alloys will spread beyond small-sized devices to large-scale components and may enable new applications of single crystals in other metallic and ceramics materials having similar microstructural features.Growing large single crystals cheaply and reliably for structural applications remains challenging. Here, the authors combine accelerated abnormal grain growth and cyclic heat treatments to grow a superelastic shape memory alloy single crystal to 70 cm.

  10. The structures of passivated layers on the single crystals of austenitic steels

    International Nuclear Information System (INIS)

    Glownia, J.; Banas, J.

    1995-01-01

    In this work, the conditions of passivation and structure of passive layers on the single crystals in Fe-Cr18-Ni9 alloys are presented. The data shown the differences in the rate of passivation and in stability of passive layers on the (001), (011) and (111) surfaces. The passive layers are composed with the mixture of Fe +2 and Cr +3 oxides and hydroxides. On the (001) surface, the depth of passive layer is greater than on the (111) surface. (author)

  11. Single-crystal growth of ceria-based materials

    International Nuclear Information System (INIS)

    Ulbrich, Gregor

    2015-01-01

    In this work it could be shown that Skull-Melting is a suitable method for growing ceria single crystals. Twenty different ceria-based single crystals could be manufactured. It was possible to dope ceria single crystals with Gd, Sm, Y, Zr, Ti, Ta, and Pr in different concentrations. Also co-doping with the named metals was realized. However, there remain some problems for growing ceria-based single crystals by Skull-Melting. As ignition metal zirconium was used because no ceria-based material works well. For that reason all single crystals show small zirconium contamination. Another problem is the formation of oxygen by the heat-induced reduction of ceria during the melting process. Because of that the skull of sintered material is often destroyed by gas pressure. This problem had to be solved individually for every single crystal. The obtained single crystals were characterized using different methods. To ensure the single crystal character the y were examined by Laue diffraction. All manufactured crystals are single crystals. Also powder diffraction patterns of the milled and oxidized samples were measured. For the determination of symmetry and metric the structural parameters were analyzed by the Rietveld method. All synthesized materials crystallize in space group Fm-3m known from calcium fluoride. The cubic lattice parameter a was determined for all crystals. In the case of series with different cerium and zirconium concentrations a linear correlation between cerium content and cubic lattice parameter was detected. The elemental composition was determined by WDX. All crystals show a homogeneous elemental distribution. The oxygen content was calculated because the WDX method isn't useful for determination.

  12. Solid-state molecular organometallic chemistry. Single-crystal to single-crystal reactivity and catalysis with light hydrocarbon substrates.

    Science.gov (United States)

    Chadwick, F Mark; McKay, Alasdair I; Martinez-Martinez, Antonio J; Rees, Nicholas H; Krämer, Tobias; Macgregor, Stuart A; Weller, Andrew S

    2017-08-01

    Single-crystal to single-crystal solid/gas reactivity and catalysis starting from the precursor sigma-alkane complex [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(η 2 η 2 -NBA)][BAr F 4 ] (NBA = norbornane; Ar F = 3,5-(CF 3 ) 2 C 6 H 3 ) is reported. By adding ethene, propene and 1-butene to this precursor in solid/gas reactions the resulting alkene complexes [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(alkene) x ][BAr F 4 ] are formed. The ethene ( x = 2) complex, [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ]-Oct , has been characterized in the solid-state (single-crystal X-ray diffraction) and by solution and solid-state NMR spectroscopy. Rapid, low temperature recrystallization using solution methods results in a different crystalline modification, [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ]-Hex , that has a hexagonal microporous structure ( P 6 3 22). The propene complex ( x = 1) [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(propene)][BAr F 4 ] is characterized as having a π-bound alkene with a supporting γ-agostic Rh···H 3 C interaction at low temperature by single-crystal X-ray diffraction, variable temperature solution and solid-state NMR spectroscopy, as well as periodic density functional theory (DFT) calculations. A fluxional process occurs in both the solid-state and solution that is proposed to proceed via a tautomeric allyl-hydride. Gas/solid catalytic isomerization of d 3 -propene, H 2 C 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111

  13. Dielectric and baric characteristics of TlS single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Mustafaeva, S.N., E-mail: solmust@gmail.com [Institute of Physics, ANAS, G. Javid prosp. 33, Az 1143 Baku (Azerbaijan); Asadov, M.M. [Institute of Chemical Problems, ANAS, G. Javid prosp. 29, Az 1143 Baku (Azerbaijan); Ismailov, A.A. [Institute of Physics, ANAS, G. Javid prosp. 33, Az 1143 Baku (Azerbaijan)

    2014-11-15

    The investigation of the frequency dependences of the dielectric coefficients and ac-conductivity of the TlS single crystals made it possible to elucidate the nature of dielectric loss and the charge transfer mechanism. Moreover, we evaluated the density and energy spread of localized states near the Fermi level, the average hopping time and the average hopping length. It was shown that the dc-conductivity of the TlS single crystals can be controlled by varying the hydrostatic pressure. This has opened up possibilities for using TlS single crystals as active elements of pressure detectors.

  14. Growth of Ga2O3 single crystal

    OpenAIRE

    龍見, 雅美; 小池, 裕之; 市木, 伸明; Tatsumi, Masami; Koike, Hiroyuki; Ichiki, Nobuaki

    2010-01-01

    Single crystals of β-Ga2O3 for substrates of GaN LED were grown by Floating Zone(FZ) method. The transparent single crystals of 5-6 mm in diameter were reproducibly obtained by applying necking procedure and the preferential growth direction was . Many cracks were induced along the cleavage plane of (100) in slicing process, which is related to thermal stress and the growth direction. However, this preliminary growth experiments suggested that β-Ga2O3 single crystal is promising as a substrat...

  15. Investigations of morphological changes during annealing of polyethylene single crystals

    NARCIS (Netherlands)

    Tian, M.; Loos, J.

    2001-01-01

    The morphological evolution of isolated individual single crystals deposited on solid substrates was investigated during annealing experiments using in situ and ex situ atomic force microscopy techniques. The crystal morphology changed during annealing at temperatures slightly above the original

  16. Single Crystals of Organolead Halide Perovskites: Growth, Characterization, and Applications

    KAUST Repository

    Peng, Wei

    2017-01-01

    Despite their outstanding charge transport characteristics, organolead halide perovskite single crystals grown by hitherto reported crystallization methods are not suitable for most optoelectronic devices due to their small aspect ratios

  17. High-quality single crystals for neutron experiments

    Indian Academy of Sciences (India)

    studies and our collaborative research projects with other UK and international groups will be discussed. Keywords. Crystal growth; floating zone method; neutron scattering. ... of single crystals of new materials is a highly competitive business.

  18. Single crystal magnetisation of UFe10Mo2

    International Nuclear Information System (INIS)

    Estrela, P.; Godinho, M.; Spirlet, J.C.

    1997-01-01

    Magnetisation measurements have been performed for different directions on aligned UFe 10 Mo 2 single crystals. The results confirm a basal plane anisotropy and suggest an important magnetic contribution from the uranium sublattice. (orig.)

  19. Distributed Feedback Laser Based on Single Crystal Perovskite

    Science.gov (United States)

    Sun, Shang; Xiao, Shumin; Song, Qinghai

    2017-06-01

    We demonstrate a single crystal perovskite based, with grating-structured photoresist on top, highly polarized distributed feedback laser. A lower laser threshold than the Fabry-Perot mode lasers from the same single crystal CH3NH3PbBr3 microplate was obtained. Single crystal CH3NH3PbBr3 microplates was synthesized with one-step solution processed precipitation method. Once the photoresist on top of the microplate was patterned with electron beam, the device was realized. This one-step fabrication process utilized the advantage of single crystal to the greatest extend. The ultra-low defect density in single crystalline microplate offer an opportunity for lower threshold lasing action compare with poly-crystal perovskite films. In the experiment, the lasing action based on the distributed feedback grating design was found with lower threshold and higher intensity than the Fabry-Perot mode lasers supported by the flat facets of the same microplate.

  20. Growth and characterization of nonlinear optical single crystals: bis ...

    Indian Academy of Sciences (India)

    Administrator

    molecules have received great attention for NLO applica- tions. However ... Figure 3. Single crystals of bis(cyclohexylammonium) terephthalate (crystal a) and cyclohexylammo- .... from ground state to higher energy states.17 Optical window ...

  1. Prospects for the synthesis of large single-crystal diamonds

    International Nuclear Information System (INIS)

    Khmelnitskiy, R A

    2015-01-01

    The unique properties of diamond have stimulated the study of and search for its applications in many fields, including optics, optoelectronics, electronics, biology, and electrochemistry. Whereas chemical vapor deposition allows the growth of polycrystalline diamond plates more than 200 mm in diameter, most current diamond application technologies require large-size (25 mm and more) single-crystal diamond substrates or films suitable for the photolithography process. This is quite a challenge, because the largest diamond crystals currently available are 10 mm or less in size. This review examines three promising approaches to fabricating large-size diamond single crystals: growing large-size single crystals, the deposition of heteroepitaxial diamond films on single-crystal substrates, and the preparation of composite diamond substrates. (reviews of topical problems)

  2. Nanomechanical resonant structures in single-crystal diamond

    OpenAIRE

    Burek, Michael J.; Ramos, Daniel; Patel, Parth; Frank, Ian W.; Lončar, Marko

    2013-01-01

    With its host of outstanding material properties, single-crystal diamond is an attractive material for nanomechanical systems. Here, the mechanical resonance characteristics of freestanding, single-crystal diamond nanobeams fabricated by an angled-etching methodology are reported. Resonance frequencies displayed evidence of significant compressive stress in doubly clamped diamond nanobeams, while cantilever resonance modes followed the expected inverse-length-squared trend. Q-factors on the o...

  3. Czochralski method of growing single crystals. State-of-art

    International Nuclear Information System (INIS)

    Bukowski, A.; Zabierowski, P.

    1999-01-01

    Modern Czochralski method of single crystal growing has been described. The example of Czochralski process is given. The advantages that caused the rapid progress of the method have been presented. The method limitations that motivated the further research and new solutions are also presented. As the example two different ways of the technique development has been described: silicon single crystals growth in the magnetic field; continuous liquid feed of silicon crystals growth. (author)

  4. LASER PROCESSING ON SINGLE CRYSTALS BY UV PULSE LASER

    OpenAIRE

    龍見, 雅美; 佐々木, 徹; 高山, 恭宜

    2009-01-01

    Laser processing by using UV pulsed laser was carried out on single crystal such as sapphire and diamond in order to understand the fundamental laser processing on single crystal. The absorption edges of diamond and sapphire are longer and shorter than the wave length of UV laser, respectively. The processed regions by laser with near threshold power of processing show quite different state in each crystal.

  5. Growth and characterisation of lead iodide single crystals

    International Nuclear Information System (INIS)

    Tonn, Justus

    2012-01-01

    The work in hand deals with the growth and characterisation of lead iodide (PbI 2 ) single crystals. PbI 2 is regarded as a promising candidate for low-noise X- and gamma ray detection at room temperature. Its benefits if compared to conventional materials like HgI 2 , CdTe, Si, or GaAs lie in a band gap energy of 2.32 eV, an excellent ability to absorb radiation, and a high electrical resistivity. For an application of PbI 2 as detector material the growth and characterisation of crystals with high chemical and structural quality is extremely challenging. In light of this, the effectiveness of zone purification of the PbI 2 used for crystal growth was confirmed by spectroscopic analysis. Furthermore, technological aspects during processing of purified PbI 2 were investigated. With the help of thermal analysis, a correlation was found between the degree of exposing the source material to oxygen from the air and the structural quality of the resulting crystals. A hydrogen treatment was applied to PbI 2 as an effective method for the removal of oxidic pollutions, which resulted in a significant reduction of structural defects like polytypic growth and stress-induced cracking. The growth of PbI 2 single crystals was, among others, carried out by the Bridgman-Stockbarger method. In this context, much effort was put on the investigation of influences resulting from the design and preparation of ampoules. For the first time, crystal growth of PbI 2 was also carried out by the Czochralski method. If compared to the Bridgman-Stockbarger method, the Czochralski technique allowed a significantly faster growth of nearly crack-free crystals with a reproducible predetermination of crystallographic orientation. By an optimised sample preparation of PbI 2 , surface orientations perpendicular to the usually cleaved (0001) plane were realised. It is now possible to determine the material properties along directions which were so far not accessible. Thus, for example, the ratio of

  6. Analysis of ripple formation in single crystal spot welds

    Energy Technology Data Exchange (ETDEWEB)

    Rappaz, M. [Ecole Polytechnique Federale de Lausanne (Switzerland). Lab de Metallurgie Physique; Corrigan, D.; Boatner, L.A. [Oak Ridge National Lab., TN (United States). Solid State Div.

    1997-10-01

    Stationary spot welds have been made at the (001) surface of Fe-l5%Ni-15%Cr single crystals using a Gas Tungsten Arc (GTA). On the top surface of the spot welds, very regular and concentric ripples were observed after solidification by differential interference color microscopy. Their height (typically 1--5 {micro}m) and spacing (typically {approximately} 60 {micro}m) decreased with the radius of the pool. These ripples were successfully accounted for in terms of capillary-wave theory using the fundamental mode frequency f{sub 0} given by the first zero of the zero-order Bessel function. The spacing d between the ripples was then equated to v{sub s}/f{sub 0}, where v{sub s} is the solidification rate. From the measured ripple spacing, the velocity of the pool was deduced as a function of the radius, and this velocity was in good agreement with the results of a heat-flow simulation.

  7. Implanted strontium titanate single crystals for energy storage applications

    Energy Technology Data Exchange (ETDEWEB)

    Stoeber, Max; Cherkouk, Charaf; Walter, Juliane; Strohmeyer, Ralph; Leisegang, Tilmann; Meyer, Dirk Carl [TU Bergakademie, Freiberg (Germany); Schelter, Matthias; Zosel, Jens [Kurt Schwabe Institute, Meinsberg (Germany); Prucnal, Slawomir [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf (Germany)

    2016-07-01

    A rapid increase of the demand on efficient energy storage solutions requires new approaches beyond the Li-ion technology. In particular, metal-air batteries as well as solid-state fuel cells offer a great potential for high-energy-density storage devices. Since the efficiency of such devices is significantly limited by the activation of both the oxygen reduction reaction (ORR) and the ionic and electronic conductivities, an adequate porosity as well as a controlled doping are required. The ion implantation is a key technology to achieve this goal. In this work, p- and n-doped strontium titanate (SrTiO{sub 3}) single crystals were used as oxidic materials. The oxygen exchange kinetics as well as the structural changes of the SrTiO{sub 3} crystal surface induced by the ion implantation were investigated. On one hand, the depth profile of dopant concentration and dopant valence state were determined using sputtered X-ray photoelectron spectroscopy (XPS). On the other hand, the overall oxygen exchange kinetic of the implanted SrTiO{sub 3} crystal was quantitatively described by means of coulometric titration using Zirox system (ZIROX GmbH, Germany). Furthermore, the surface morphology of the samples was investigated using atomic force microscopy (AFM).

  8. Anisotropic charge transport in large single crystals of π-conjugated organic molecules.

    Science.gov (United States)

    Hourani, Wael; Rahimi, Khosrow; Botiz, Ioan; Koch, Felix Peter Vinzenz; Reiter, Günter; Lienerth, Peter; Heiser, Thomas; Bubendorff, Jean-Luc; Simon, Laurent

    2014-05-07

    The electronic properties of organic semiconductors depend strongly on the nature of the molecules, their conjugation and conformation, their mutual distance and the orientation between adjacent molecules. Variations of intramolecular distances and conformation disturb the conjugation and perturb the delocalization of charges. As a result, the mobility considerably decreases compared to that of a covalently well-organized crystal. Here, we present electrical characterization of large single crystals made of the regioregular octamer of 3-hexyl-thiophene (3HT)8 using a conductive-atomic force microscope (C-AFM) in air. We find a large anisotropy in the conduction with charge mobility values depending on the crystallographic orientation of the single crystal. The smaller conduction is in the direction of π-π stacking (along the long axis of the single crystal) with a mobility value in the order of 10(-3) cm(2) V(-1) s(-1), and the larger one is along the molecular axis (in the direction normal to the single crystal surface) with a mobility value in the order of 0.5 cm(2) V(-1) s(-1). The measured current-voltage (I-V) curves showed that along the molecular axis, the current followed an exponential dependence corresponding to an injection mode. In the π-π stacking direction, the current exhibits a space charge limited current (SCLC) behavior, which allows us to estimate the charge carrier mobility.

  9. Electromagnetic induction heating for single crystal graphene growth: morphology control by rapid heating and quenching

    Science.gov (United States)

    Wu, Chaoxing; Li, Fushan; Chen, Wei; Veeramalai, Chandrasekar Perumal; Ooi, Poh Choon; Guo, Tailiang

    2015-03-01

    The direct observation of single crystal graphene growth and its shape evolution is of fundamental importance to the understanding of graphene growth physicochemical mechanisms and the achievement of wafer-scale single crystalline graphene. Here we demonstrate the controlled formation of single crystal graphene with varying shapes, and directly observe the shape evolution of single crystal graphene by developing a localized-heating and rapid-quenching chemical vapor deposition (CVD) system based on electromagnetic induction heating. Importantly, rational control of circular, hexagonal, and dendritic single crystalline graphene domains can be readily obtained for the first time by changing the growth condition. Systematic studies suggest that the graphene nucleation only occurs during the initial stage, while the domain density is independent of the growth temperatures due to the surface-limiting effect. In addition, the direct observation of graphene domain shape evolution is employed for the identification of competing growth mechanisms including diffusion-limited, attachment-limited, and detachment-limited processes. Our study not only provides a novel method for morphology-controlled graphene synthesis, but also offers fundamental insights into the kinetics of single crystal graphene growth.

  10. Passivation of the surfaces of single crystal gadolinium molybdate (Gd/sub 2/(MoO/sub 4/)/sub 3/) against attack by hydrofluoric acid by inert ion beam irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Bhalla, A; Cross, L E; Tongson, L [Pennsylvania State Univ., University Park (USA). Materials Research Lab.

    1978-01-01

    The passivation effect from inert ion beam bombardment has been studied on a ferroelectric surface. The mechanism in these materials may have some additional contributions because of the polarization charges of the domains and the dipole effect (ion beam and surface species) on the surfaces. For these studies Gd/sub 2/(MoO/sub 4/)/sub 3/ (GMO) crystals were selected. Two possible mechanisms of passivation of GMO surfaces when bombarded with ion beams are discussed.

  11. Development of n- and p-type Doped Perovskite Single Crystals Using Solid-State Single Crystal Growth (SSCG) Technique

    Science.gov (United States)

    2017-10-09

    for AGG should be minimal. For this purpose, the seeds for AGG may also be provided externally. This process is called the solid-state single...bonding process . Figure 31 shows (a) the growth of one large single crystal from one small single crystal seed as well as (b) the growth of one...one bi-crystal seed : One large bi-crystal can be grown from one small bi-crystal by SSCG process . Fig. 32. Diffusion bonding process for

  12. Adsorption of methanol, ethanol and water on well-characterized PtSn surface alloys

    Science.gov (United States)

    Panja, Chameli; Saliba, Najat; Koel, Bruce E.

    1998-01-01

    Adsorption and desorption of methanol (CH 3OH), ethanol (C 2H 5OH) and water on Pt(111) and two, ordered, PtSn alloys has been studied primarily using temperature-programmed desorption (TPD) mass spectroscopy. The two alloys studied were the {p(2 × 2) Sn}/{Pt(111) } and (√3 × √3) R30° {Sn}/{Pt(111) } surface alloys prepared by vapor deposition of Sn on Pt(111), with θSn = 0.25 and 0.33, respectively. All three molecules are weakly bonded and reversibly adsorbed under UHV conditions on all three surfaces, molecularly desorbing during TPD without any decomposition. The two PtSn surface alloys were found to chemisorb both methanol and ethanol slightly more weakly than on the Pt(111) surface. The desorption activation energies measured by TPD, and hence the adsorption energies, of both methanol and ethanol progressively decrease as the surface concentration of Sn increases, compared with Pt(111). The decreased binding energy leads one to expect a lower reactivity for these alcohols on the two alloys. The sticking coefficients and the monolayer coverages of these alcohols on the two alloys were identical to that on Pt(111) at 100 K, independent of the amount of Sn present in the surface layer. Alloying Sn in Pt(111) also slightly weakens the adsorption energy of water. Water clusters are formed even at low coverages on all three surfaces, eventually forming a water bilayer prior to the formation of a condensed ice phase. These results are relevant to a molecular-level explanation for the reactivity of Sn-promoted Pt surfaces that have been used in the electro-oxidation of simple organic molecules.

  13. Ion implantation of CdTe single crystals

    International Nuclear Information System (INIS)

    Wiecek, Tomasz; Popovich, Volodymir; Bester, Mariusz; Kuzma, Marian

    2017-01-01

    Ion implantation is a technique which is widely used in industry for unique modification of metal surface for medical applications. In semiconductor silicon technology ion implantation is also widely used for thin layer electronic or optoelectronic devices production. For other semiconductor materials this technique is still at an early stage. In this paper based on literature data we present the main features of the implantation of CdTe single crystals as well as some of the major problems which are likely to occur when dealing with them. The most unexpected feature is the high resistance of these crystals against the amorphization caused by ion implantation even at high doses (10"1"7 1/cm"2). The second property is the disposal of defects much deeper in the sample then it follows from the modeling calculations. The outline of principles of the ion implantation is included in the paper. The data based on RBS measurements and modeling results obtained by using SRIM software were taken into account.

  14. Optical properties of tungsten disulfide single crystals doped with gold

    International Nuclear Information System (INIS)

    Dumcenco, D.O.; Hsu, H.P.; Huang, Y.S.; Liang, C.H.; Tiong, K.K.; Du, C.H.

    2008-01-01

    Single crystals of WS 2 doped with gold have been grown by the chemical vapour transport method using iodine as a transporting agent. X-ray diffraction (XRD) pattern analysis revealed presence of mixed three-layer rhombohedral (3R) and two-layer hexagonal (2H) polytypes for the doped crystals while the undoped one shows only 2H form. Hall measurements indicate that the samples are p-type in nature. The doping effects of the materials are characterized by surface photovoltage (SPV), photoconductivity (PC) and piezoreflectance (PzR) measurements. Room temperature SPV and PC spectra reveal a feature located at ∼60 meV below the A exciton and has been tentatively assigned to be an impurity level caused by Au dopant. Excitonic transition energies of the A, B, d and C excitons detected in PzR spectra show red shift due to the presence of a small amount of Au and the broadening parameters of the excitonic transition features increase due to impurity scattering. The values of the parameters that describe the electron (exciton)-phonon interaction of excitonic transitions of A-B are about two times larger than that of d-C excitonic pairs. The possible assignments of the different origins of A-B and d-C excitonic pairs have been discussed

  15. Crystal plasticity study of single crystal tungsten by indentation tests

    International Nuclear Information System (INIS)

    Yao, Weizhi

    2012-01-01

    Owing to its favorable material properties, tungsten (W) has been studied as a plasma-facing material in fusion reactors. Experiments on W heating in plasma sources and electron beam facilities have shown an intense micro-crack formation at the heated surface and sub-surface. The cracks go deep inside the irradiated sample, and often large distorted areas caused by local plastic deformation are present around the cracks. To interpret the crack-induced microscopic damage evolution process in W, one needs firstly to understand its plasticity on a single grain level, which is referred to as crystal plasticity. In this thesis, the crystal plasticity of single crystal tungsten (SCW) has been studied by spherical and Berkovich indentation tests and the finite element method with a crystal plasticity model. Appropriate values of the material parameters included in the crystal plasticity model are determined by fitting measured load-displacement curves and pile-up profiles with simulated counterparts for spherical indentation. The numerical simulations reveal excellent agreement with experiment. While the load-displacement curves and the deduced indentation hardness exhibit little sensitivity to the indented plane at small indentation depths, the orientation of slip directions within the crystals governs the development of deformation hillocks at the surface. It is found that several factors like friction, indentation depth, active slip systems, misoriented crystal orientation, misoriented sample surface and azimuthal orientation of the indenter can affect the indentation behavior of SCW. The Berkovich indentation test was also used to study the crystal plasticity of SCW after deuterium irradiation. The critical load (pop-in load) for triggering plastic deformation under the indenter is found to depend on the crystallographic orientation. The pop-in loads decrease dramatically after deuterium plasma irradiation for all three investigated crystallographic planes.

  16. Photoelectrochemical Stability and Alteration Products of n-Type Single-Crystal ZnO Photoanodes

    Directory of Open Access Journals (Sweden)

    I. E. Paulauskas

    2011-01-01

    Full Text Available The photoelectrochemical stability and surface-alteration characteristics of doped and undoped n-type ZnO single-crystal photoanode electrodes were investigated. The single-crystal ZnO photoanode properties were analyzed using current-voltage measurements plus spectral and time-dependent quantum-yield methods. These measurements revealed a distinct anodic peak and an accompanying cathodic surface degradation process at negative potentials. The features of this peak depended on time and the NaOH concentration in the electrolyte, but were independent of the presence of electrode illumination. Current measurements performed at the peak indicate that charging and discharging effects are apparently taking place at the semiconductor/electrolyte interface. This result is consistent with the significant reactive degradation that takes place on the ZnO single crystal photoanode surface and that ultimately leads to the reduction of the ZnO surface to Zn metal. The resulting Zn-metal reaction products create unusual, dendrite-like, surface alteration structural features that were analyzed using x-ray diffraction, energy-dispersive analysis, and scanning electron microscopy. ZnO doping methods were found to be effective in increasing the n-type character of the crystals. Higher doping levels result in smaller depletion widths and lower quantum yields, since the minority carrier diffusion lengths are very short in these materials.

  17. Effect of the electronic structure of the etched CdTe single crystals on the exciton radiation processes

    International Nuclear Information System (INIS)

    Tkachuk, P.M.; Tkachuk, V.Yi.; Mel'nichuk, S.V.; Kurik, M.V.

    2005-01-01

    Under optical excitation the structure of the radiation beyond fundamental absorption of the orientated CdTe single crystals caused by LO-phonon scattering processes of the electron-hole states is observed. Crystals have been doped with impurity of Cl as a result of the surface preparing by etching in Br-methanol. Electronic structure of the single crystals surface layer is identified on the basis of two-phonon radiation absorption investigation. Taking into account the modes selection rules the one and two phonon scattering mechanisms for two crystals surface orientations are determined

  18. Epitaxial TiN(001) wetting layer for growth of thin single-crystal Cu(001)

    Energy Technology Data Exchange (ETDEWEB)

    Chawla, J. S.; Zhang, X. Y.; Gall, D. [Department of Materials Science and Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States)

    2011-08-15

    Single-crystal Cu(001) layers, 4-1400 nm thick, were deposited on MgO(001) with and without a 2.5-nm-thick TiN(001) buffer layer. X-ray diffraction and reflection indicate that the TiN(001) surface suppresses Cu-dewetting, yielding a 4 x lower defect density and a 9 x smaller surface roughness than if grown on MgO(001) at 25 deg. C. In situ and low temperature electron transport measurements indicate that ultra-thin (4 nm) Cu(001) remains continuous and exhibits partial specular scattering at the Cu-vacuum boundary with a Fuchs-Sondheimer specularity parameter p = 0.6 {+-} 0.2, suggesting that the use of epitaxial wetting layers is a promising approach to create low-resistivity single-crystal Cu nanoelectronic interconnects.

  19. Epitaxial Growth of an Organic p-n Heterojunction: C60 on Single-Crystal Pentacene.

    Science.gov (United States)

    Nakayama, Yasuo; Mizuno, Yuta; Hosokai, Takuya; Koganezawa, Tomoyuki; Tsuruta, Ryohei; Hinderhofer, Alexander; Gerlach, Alexander; Broch, Katharina; Belova, Valentina; Frank, Heiko; Yamamoto, Masayuki; Niederhausen, Jens; Glowatzki, Hendrik; Rabe, Jürgen P; Koch, Norbert; Ishii, Hisao; Schreiber, Frank; Ueno, Nobuo

    2016-06-01

    Designing molecular p-n heterojunction structures, i.e., electron donor-acceptor contacts, is one of the central challenges for further development of organic electronic devices. In the present study, a well-defined p-n heterojunction of two representative molecular semiconductors, pentacene and C60, formed on the single-crystal surface of pentacene is precisely investigated in terms of its growth behavior and crystallographic structure. C60 assembles into a (111)-oriented face-centered-cubic crystal structure with a specific epitaxial orientation on the (001) surface of the pentacene single crystal. The present experimental findings provide molecular scale insights into the formation mechanisms of the organic p-n heterojunction through an accurate structural analysis of the single-crystalline molecular contact.

  20. Magnon contribution to electrical resistance of gadolinium-dysprosium alloy single crystals

    International Nuclear Information System (INIS)

    Nikitin, S.A.; Slobodchikov, S.S.; Solomkin, I.K.

    1978-01-01

    The magnon, phonon and interelectron collision contributions to the electric resistance of single crystals of gadolinium-dysprosium alloys were quantified. A relationship was found to exist between the electric resistance and the variation of the topology of the Fermi surface on melting of gadolinium with dysprosium. It was found that gadolinium-dysprosium alloys, which have no helicoidal magnetic structure in magnetically ordered state, feature a spin-spin helicoidal-type correlations in the paramagnetic field

  1. Origin of the defects-induced ferromagnetism in un-doped ZnO single crystals

    Science.gov (United States)

    Zhan, Peng; Xie, Zheng; Li, Zhengcao; Wang, Weipeng; Zhang, Zhengjun; Li, Zhuoxin; Cheng, Guodong; Zhang, Peng; Wang, Baoyi; Cao, Xingzhong

    2013-02-01

    We clarified, in this Letter, that in un-doped ZnO single crystals after thermal annealing in flowing argon, the defects-induced room-temperature ferromagnetism was originated from the surface defects and specifically, from singly occupied oxygen vacancies denoted as F+, by the optical and electrical properties measurements as well as positron annihilation analysis. In addition, a positive linear relationship was observed between the ferromagnetism and the F+ concentration, which is in support with the above clarification.

  2. Single Crystal Synthesis and STM Studies of High Temperature Superconductors

    Science.gov (United States)

    Barrientos, Alfonso

    1997-01-01

    This is a final report for the work initiated in September of 1994 under the grant NAG8-1085 - NASA/OMU, on the fabrication of bulk and single crystal synthesis, specific heat measuring and STM studies of high temperature superconductors. Efforts were made to fabricate bulk and single crystals of mercury based superconducting material. A systematic thermal analysis on the precursors for the corresponding oxides and carbonates were carried out to synthesized bulk samples. Bulk material was used as seed in an attempt to grow single crystals by a two-step self flux process. On the other hand bulk samples were characterized by x-ray diffraction, electrical resistivity and magnetic susceptibility, We studied the specific heat behavior in the range from 80 to 300 K. Some preliminary attempts were made to study the atomic morphology of our samples. As part of our efforts we built an ac susceptibility apparatus for measuring the transition temperature of our sintered samples.

  3. Mesoporous Zeolite Single Crystals for Catalytic Hydrocarbon Conversion

    DEFF Research Database (Denmark)

    Schmidt, I.; Christensen, Claus H.; Kustova, Marina

    2005-01-01

    Recently, mesoporous zeolite single crystals were discovered. They constitute a novel family of materials that features a combined micropore and mesopore architecture within each individual crystal. Here, we briefly summarize recent catalytic results from cracking and isomerization of alkalies......, alkylation of aromatics and present new results on isomerization of aromatics. Specifically, the shape-selective isomerization of meta-xylenc into para-xylene and ortho-xylene is studied. In all these reactions, rnesoporous zeolite single crystals prove to be unique catalysts since they provide easy...... transport to and from active sites and at the same time maintain the shape-selectivity required. Thus, all these results support the idea that the beneficial effect of the mesopores system in the mesoporous zeolite single crystals call be solely attributed to enhanced mass transport....

  4. Mechanical properties of hydroxyapatite single crystals from nanoindentation data

    Science.gov (United States)

    Zamiri, A.; De, S.

    2011-01-01

    In this paper we compute elasto-plastic properties of hydroxyapatite single crystals from nanindentation data using a two-step algorithm. In the first step the yield stress is obtained using hardness and Young’s modulus data, followed by the computation of the flow parameters. The computational approach is first validated with data from existing literature. It is observed that hydroxyapatite single crystals exhibit anisotropic mechanical response with a lower yield stress along the [1010] crystallographic direction compared to the [0001] direction. Both work hardening rate and work hardening exponent are found to be higher for indentation along the [0001] crystallographic direction. The stress-strain curves extracted here could be used for developing constitutive models for hydroxyapatite single crystals. PMID:21262492

  5. Light emission from organic single crystals operated by electrolyte doping

    Science.gov (United States)

    Matsuki, Keiichiro; Sakanoue, Tomo; Yomogida, Yohei; Hotta, Shu; Takenobu, Taishi

    2018-03-01

    Light-emitting devices based on electrolytes, such as light-emitting electrochemical cells (LECs) and electric double-layer transistors (EDLTs), are solution-processable devices with a very simple structure. Therefore, it is necessary to apply this device structure into highly fluorescent organic materials for future printed applications. However, owing to compatibility problems between electrolytes and organic crystals, electrolyte-based single-crystal light-emitting devices have not yet been demonstrated. Here, we report on light-emitting devices based on organic single crystals and electrolytes. As the fluorescent materials, α,ω-bis(biphenylyl)terthiophene (BP3T) and 5,6,11,12-tetraphenylnaphthacene (rubrene) single crystals were selected. Using ionic liquids as electrolytes, we observed clear light emission from BP3T LECs and rubrene EDLTs.

  6. Metal Halide Perovskite Single Crystals: From Growth Process to Application

    Directory of Open Access Journals (Sweden)

    Shuigen Li

    2018-05-01

    Full Text Available As a strong competitor in the field of optoelectronic applications, organic-inorganic metal hybrid perovskites have been paid much attention because of their superior characteristics, which include broad absorption from visible to near-infrared region, tunable optical and electronic properties, high charge mobility, long exciton diffusion length and carrier recombination lifetime, etc. It is noted that perovskite single crystals show remarkably low trap-state densities and long carrier diffusion lengths, which are even comparable with the best photovoltaic-quality silicon, and thus are expected to provide better optoelectronic performance. This paper reviews the recent development of crystal growth in single-, mixed-organic-cation and fully inorganic halide perovskite single crystals, in particular the solution approach. Furthermore, the application of metal hybrid perovskite single crystals and future perspectives are also highlighted.

  7. Radiation-electromagnetic effect in germanium single crystals

    International Nuclear Information System (INIS)

    Kikoin, I.K.; Kikoin, L.I.; Lazarev, S.D.

    1980-01-01

    An experimental study was made of the radiation-electromagnetic effect in germanium single crystals when excess carriers were generated by bombardment with α particles, protons, or x rays in magnetic fields up to 8 kOe. The source of α particles and protons was a cyclotron and x rays were provided by a tube with a copper anode. The radiation-electromagnetic emf increased linearly on increase in the magnetic field and was directly proportional to the flux of charged particles at low values of the flux, reaching saturation at high values of the flux (approx.5 x 10 11 particles .cm -2 .sec -1 ). In the energy range 4--40 MeV the emf was practically independent of the α-particle energy. The sign of the emf was reversed when samples with a ground front surface were irradiated. Measurements of the photoelectromagnetic and Hall effects in the α-particle-irradiated samples showed that a p-n junction was produced by these particles and its presence should be allowed for in investigations of the radiation-electromagnetic effect. The measured even radiation-electromagnetic emf increased quadratically on increase in the magnetic field. An investigation was made of the barrier radiation-voltaic effect (when the emf was measured between the irradiated and unirradiated surfaces). Special masks were used to produce a set of consecutive p-n junctions in germanium crystals irradiated with α particles. A study of the photovoltaic and photoelectromagnetic effects in such samples showed that the method could be used to increase the efficiency of devices utilizing the photoelectromagnetic effect

  8. Principles of crystallization, and methods of single crystal growth

    International Nuclear Information System (INIS)

    Chacra, T.

    2010-01-01

    Most of single crystals (monocrystals), have distinguished optical, electrical, or magnetic properties, which make from single crystals, key elements in most of technical modern devices, as they may be used as lenses, Prisms, or grating sin optical devises, or Filters in X-Ray and spectrographic devices, or conductors and semiconductors in electronic, and computer industries. Furthermore, Single crystals are used in transducer devices. Moreover, they are indispensable elements in Laser and Maser emission technology.Crystal Growth Technology (CGT), has started, and developed in the international Universities and scientific institutions, aiming at some of single crystals, which may have significant properties and industrial applications, that can attract the attention of international crystal growth centers, to adopt the industrial production and marketing of such crystals. Unfortunately, Arab universities generally, and Syrian universities specifically, do not give even the minimum interest, to this field of Science.The purpose of this work is to attract the attention of Crystallographers, Physicists and Chemists in the Arab universities and research centers to the importance of crystal growth, and to work on, in the first stage to establish simple, uncomplicated laboratories for the growth of single crystal. Such laboratories can be supplied with equipment, which are partly available or can be manufactured in the local market. Many references (Articles, Papers, Diagrams, etc..) has been studied, to conclude the most important theoretical principles of Phase transitions,especially of crystallization. The conclusions of this study, are summarized in three Principles; Thermodynamic-, Morphologic-, and Kinetic-Principles. The study is completed by a brief description of the main single crystal growth methods with sketches, of equipment used in each method, which can be considered as primary designs for the equipment, of a new crystal growth laboratory. (author)

  9. Photoluminescence properties of boron doped InSe single crystals

    International Nuclear Information System (INIS)

    Ertap, H.; Bacıoğlu, A.; Karabulut, M.

    2015-01-01

    Undoped and boron doped InSe single crystals were grown by Bridgman–Stockbarger technique. The PL properties of undoped, 0.1% and 0.5% boron doped InSe single crystals have been investigated at different temperatures. PL measurements revealed four emission bands labeled as A, B, C and D in all the single crystals studied. These emission bands were associated with the radiative recombination of direct free excitons (n=1), impurity-band transitions, donor–acceptor recombinations and structural defect related band (impurity atoms, defects, defect complexes, impurity-vacancy complex etc.), respectively. The direct free exciton (A) bands of undoped, 0.1% and 0.5% boron doped InSe single crystals were observed at 1.337 eV, 1.335 eV and 1.330 eV in the PL spectra measured at 12 K, respectively. Energy positions and PL intensities of the emission bands varied with boron addition. The FWHM of direct free exciton band increases while the FWHM of the D emission band decreases with boron doping. Band gap energies of undoped and boron doped InSe single crystals were calculated from the PL measurements. It was found that the band gap energies of InSe single crystals decreased with increasing boron content. - Highlights: • PL spectra of InSe crystals have been studied as a function of temperature. • Four emission bands were observed in the PL spectra at low temperatures. • PL intensity and position of free exciton band vary with doping and temperature. • Temperature dependences of the bands observed in the PL spectra were analyzed

  10. Hydrothermal growth of PbSO4 (Anglesite) single crystal

    International Nuclear Information System (INIS)

    Kikuta, Ko-ichi; Yoneta, Yasuhito; Yogo, Toshinobu; Hirano, Shin-ichi

    1994-01-01

    Hydrothermal growth of single crystals of PbSO 4 , which is known as a natural mineral called anglesite, was investigated. Lead nitrate and nitric acid solutions were found to be useful for the growth of angle-site on the basis of the experimental results on the dissolution behavior. Relatively large euhedral single crystals bound by {210} and {101} planes were successfully grown in 1.5 mol/kg Pb(NO 3 ) 2 at 400degC and 100 MPa. Optical characterization revealed that the grown anglesite crystals can be useful for scintillators material. (author)

  11. Observation of plastic deformation in freestanding single crystal Au nanowires

    International Nuclear Information System (INIS)

    Lee, Dongyun; Zhao Manhong; Wei Xiaoding; Chen Xi; Jun, Seong C.; Hone, James; Herbert, Erik G.; Oliver, Warren C.; Kysar, Jeffrey W.

    2006-01-01

    Freestanding single crystal nanowires of gold were fabricated from a single grain of pure gold leaf by standard lithographic techniques, with center section of 7 μm in length, 250 nm in width, and 100 nm in thickness. The ends remained anchored to a silicon substrate. The specimens were deflected via nanoindenter until plastic deformation was achieved. Nonlocalized and localized plastic deformations were observed. The resulting force-displacement curves were simulated using continuum single crystal plasticity. A set of material parameters which closely reproduce the experimental results suggests that the initial critical resolved shear stress was as high as 135 MPa

  12. Welding and joining of single crystals of BCC refractory metals

    International Nuclear Information System (INIS)

    Hiraoka, Yutaka; Fujii, Tadayuki

    1989-01-01

    Welding and joining is one of key technologies for the wider utilizations of a material. In the present work, the applicability of welding and joining for a single crystal of BCC refractory metal was investigated. Electron-beam welding and tungsten-inert-gas welding by a melt-run technique, and high-temperature brazing by using brazing metals such as Mo-40%Ru alloy, vanadium or platinum were conducted for molybdenum single crystal which had been prepared by means of secondary recrystallization. 12 refs.,12 figs., 2 tabs. (Author)

  13. Cryogenic motion performances of a piezoelectric single crystal micromotor

    Science.gov (United States)

    Li, Xiaotian; Wu, Yuting; Chen, Zhijiang; Wei, Xiaoyong; Luo, Haosu; Dong, Shuxiang

    2014-04-01

    This study investigates the cryogenic performances of a millimeter-size piezoelectric ultrasonic linear micromotor. The piezoelectric vibrator of the micromotor is made of Pb(In1/2Nb1/2)O3 -Pb(Mg1/3Nb2/3)-PbTiO3 single crystal and operated in first-bending wobbling mode. Experiments show that the piezoelectric single crystal micromotor works effectively even at extremely low temperature of -175 °C, although its resonance peaks vary with temperature significantly. This work confirms the feasibility of cryogenic operation of the piezo-micromotor, which is meaningful for aerospace or superconducting microwave application.

  14. Iron single crystal growth from a lithium-rich melt

    Science.gov (United States)

    Fix, M.; Schumann, H.; Jantz, S. G.; Breitner, F. A.; Leineweber, A.; Jesche, A.

    2018-03-01

    α -Fe single crystals of rhombic dodecahedral habit were grown from a Li84N12Fe∼3 melt. Crystals of several millimeter along a side form at temperatures around T ≈ 800 ° C. Upon further cooling the growth competes with the formation of Fe-doped Li3N. The b.c.c. structure and good sample quality of α -Fe single crystals were confirmed by X-ray and electron diffraction as well as magnetization measurements and chemical analysis. A nitrogen concentration of 90 ppm was detected by means of carrier gas hot extraction. Scanning electron microscopy did not reveal any sign of iron nitride precipitates.

  15. Regularities of recrystallization in rolled Zr single crystals

    International Nuclear Information System (INIS)

    Isaenkova, M; Perlovich, Yu; Fesenko, V; Krymskaya, O; Krapivka, N; Thu, S S

    2015-01-01

    Experiments by rolled single crystals give a more visible conception of the operating mechanisms of plastic deformation and the following recrystallization, than experiments by polycrystals. Studies by usage of X-ray diffraction methods were conducted by Zr single crystals. It was revealed, that regions of the α-Zr matrix, deformed mainly by twinning, are characterized with decreased tendency to recrystallization. Orientations of recrystallized α-Zr grains correspond to “slopes” of maxima in the rolling texture, where the level of crystalline lattice distortion is maximal and the number of recrystallization nuclei is most of all. (paper)

  16. Preparation of single-crystal copper ferrite nanorods and nanodisks

    International Nuclear Information System (INIS)

    Du Jimin; Liu Zhimin; Wu Weize; Li Zhonghao; Han Buxing; Huang Ying

    2005-01-01

    This article, for the first time, reports the preparation of single-crystal copper ferrite nanorods and nanodisks. Using amorphous copper ferrite nanoparticles synthesized by reverse micelle as reaction precursor, single-crystal copper ferrite nanorods were synthesized via hydrothermal method in the presence of surfactant polyethylene glycol (PEG), however, copper ferrite nanodisks were prepared through the same procedures except the surfactant PEG. The resulting nanomaterials have been characterized by powder X-ray diffraction (XRD), selected electron area diffraction (SEAD), and transmission electron microscopy (TEM). The bulk composition of the samples was determined by means of X-ray photoelectron spectroscopy (XPS)

  17. General aspects of surface alloy formation

    Energy Technology Data Exchange (ETDEWEB)

    Bergbreiter, Andreas; Engstfeld, Albert K.; Roetter, Ralf T.; Hoster, Harry E.; Behm, R. Juergen [Institute of Surface Chemistry and Catalysis, Ulm University, D-89069 Ulm (Germany); Berko, Andras

    2010-07-01

    Surface confined alloys are excellent model systems for studies of structure-property relationships of bimetallic surfaces. They are formed by deposition of a guest metal B onto a substrate A, followed by annealing to a temperature, where place exchange between adatoms and atoms from the underlying surface layer becomes possible and diffusion into the bulk is sufficiently slow. We exemplarily confirmed by scanning tunneling microscopy and Auger electron spectroscopy for PtRu/Ru(0001), PdRu/Ru(0001), AuPt/Pt(111), AgPt/Pt(111), and AgPd/Pd(111), surface alloys are obtained for systems where metal B has a negative surface segregation energy within metal A. By exchanging A and B, however, AB surface alloys are most likely overgrown by metal B, which we demonstrate for RuPt/Pt(111) in comparison to PtRu/Ru(0001).

  18. Sublimation Properties of Pentaerythritol Tetranitrate Single Crystals Doped with Its Homologs

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharia, Sanjoy K.; Maiti, Amitesh; Gee, Richard H.; Weeks, Brandon L.

    2012-07-20

    Pentaerythritol tetranitrate (PETN) is a secondary explosive used extensively in military and commercial applications. Coarsening of PETN during long-term storage changes the physical properties such as surface area and particle morphology which are important factors in initiation and performance. Doping of impurities was proposed to slow the coarsening process since impurities were shown to modify both the kinetic and thermodynamic properties. In this paper, we discuss how doping of PETN with its homologs of dipentaerythritol hexanitrate (diPEHN) and tripentaerytritol octanitrate (triPEON) affect kinetic and thermodynamic parameters. Pure and homolog doped PETN single crystals were prepared by solvent evaporation in acetone at room temperature. Doping concentrations for this study were 1000 ppm, 5000 ppm, and 10000 ppm. Activation energy and vapor pressure of pure and doped PETN single crystals were obtained from thermogravimetric analysis data.

  19. Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

    Energy Technology Data Exchange (ETDEWEB)

    Goto, Kaname [Department of Electronics, Graduate School of Science and Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan); Yamashita, Kenichi, E-mail: yamasita@kit.ac.jp [Faculty of Electrical Engineering and Electronics, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan); Yanagi, Hisao [Graduate School of Materials Science, Nara Institute of Science and Technology (NAIST), 8916-5 Takayama, Ikoma, Nara 630-0192 (Japan); Yamao, Takeshi; Hotta, Shu [Faculty of Materials Science and Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan)

    2016-08-08

    Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ∼100 meV even in the “half-vertical cavity surface emitting lasing” microcavity structure.

  20. Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

    Science.gov (United States)

    Goto, Kaname; Yamashita, Kenichi; Yanagi, Hisao; Yamao, Takeshi; Hotta, Shu

    2016-08-01

    Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ˜100 meV even in the "half-vertical cavity surface emitting lasing" microcavity structure.

  1. Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

    International Nuclear Information System (INIS)

    Goto, Kaname; Yamashita, Kenichi; Yanagi, Hisao; Yamao, Takeshi; Hotta, Shu

    2016-01-01

    Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ∼100 meV even in the “half-vertical cavity surface emitting lasing” microcavity structure.

  2. Structural Characterization of Doped GaSb Single Crystals by X-ray Topography

    Energy Technology Data Exchange (ETDEWEB)

    Honnicke, M.G.; Mazzaro, I.; Manica, J.; Benine, E.; M da Costa, E.; Dedavid, B. A.; Cusatis, C.; Huang, X. R.

    2009-09-13

    We characterized GaSb single crystals containing different dopants (Al, Cd and Te), grown by the Czochralski method, by x-ray topography and high angular resolution x-ray diffraction. Lang topography revealed dislocations parallel and perpendicular to the crystal's surface. Double-crystal GaSb 333 x-ray topography shows dislocations and vertical stripes than can be associated with circular growth bands. We compared our high-angular resolution x-ray diffraction measurements (rocking curves) with the findings predicted by the dynamical theory of x-ray diffraction. These measurements show that our GaSb single crystals have a relative variation in the lattice parameter ({Delta}d/d) on the order of 10{sup -5}. This means that they can be used as electronic devices (detectors, for example) and as x-ray monochromators.

  3. Study of photoluminescence from annealed bulk-ZnO single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yoneta, M.; Ohishi, M.; Saito, H. [Department of Applied Physics, Okayama University of Science, 1-1 Ridai-cho, Okayama 700-0005 (Japan); Yoshino, K. [Department of Electrical and Electronic Engineering, Miyazaki University, 1-1 Gakuen Kibanadai-nishi, Miyazaki 889-2192 (Japan); Honda, M. [Faculty of Science, Naruto University of Education, 748 Nakajima, Takashima, Naruto-cho, Naruto-shi 772-8502 (Japan)

    2006-03-15

    We have investigated the influence of rapid thermal annealing on the photoluminescence of bulk-ZnO single crystal. As-grown ZnO wafer, illuminated by 325 nm ultraviolet light at 4.2 K, emitted the visible luminescence of pale green centered of 2.29 eV. The luminescence was observed by the anneal at the temperature range between 400 C and 1000 C, however, its intensity decreased with anneal temperature. The free-exciton and the 2.18 eV emission line were obtained by the anneal at 1200 C for 60 sec. From the X-ray diffraction and the surface morphology measurements, the improvement of the crystallinity of bulk-ZnO crystal were confirmed. We suggest that a rapid thermal annealing technique is convenience to improve the the quality of bul-ZnO single crystals. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  4. Patterning solution-processed organic single-crystal transistors with high device performance

    Directory of Open Access Journals (Sweden)

    Yun Li

    2011-06-01

    Full Text Available We report on the patterning of organic single-crystal transistors with high device performance fabricated via a solution process under ambient conditions. The semiconductor was patterned on substrates via surface selective deposition. Subsequently, solvent-vapor annealing was performed to reorganize the semiconductor into single crystals. The transistors exhibited field-effect mobility (μFET of up to 3.5 cm2/V s. Good reliability under bias-stress conditions indicates low density of intrinsic defects in crystals and low density of traps at the active interfaces. Furthermore, the Y function method clearly suggests that the variation of μFET of organic crystal transistors was caused by contact resistance. Further improvement of the device with higher μFET with smaller variation can be expected when lower and more uniform contact resistance is achieved.

  5. Structural and optical properties of WTe2 single crystals synthesized by DVT technique

    Science.gov (United States)

    Dixit, Vijay; Vyas, Chirag; Pathak, V. M.; Soalanki, G. K.; Patel, K. D.

    2018-05-01

    Layered transition metal di-chalcogenide (LTMDCs) crystals have attracted much attention due to their potential in optoelectronic device applications recently due to realization of their monolayer based structures. In the present investigation we report growth of WTe2 single crystals by direct vapor transport (DVT) technique. These crystals are then characterized by energy dispersive analysis of x-rays (EDAX) to study stoichiometric composition after growth. The structural properties are studied by x-ray diffraction (XRD) and selected area electron diffraction (SAED) is used to confirm orthorhombic structure of grown WTe2 crystal. Surface morphological properties of the crystals are also studied by scanning electron microscope (SEM). The optical properties of the grown crystals are studied by UV-Visible spectroscopy which gives direct band gap of 1.44 eV for grown WTe2 single crystals.

  6. The incidence angle influence on the structure of secondary-emission characteristics of single crystals

    International Nuclear Information System (INIS)

    Gasanov, E.R.; Aliyev, B.Z.

    2012-01-01

    Full text : The dependences of Wand MO single crystals in different atom planes have been studied in this work. It is revealed that maximums are added to each dependency and also minimums of first and second degree. This fact is explained by diffraction dynamic theory. It is established that electron diffraction oriented not perpendicularly to crystal surface is the reason of appearance of second order structure on studied secondary-emission characteristics. In the present work being the continuation and development of SEE investigations of high-melting metal single crystals begun earlier by authors, the structure dependence of SEE main characteristics of angle has been studied. This angle has been chosen because as it is mentioned before the bad repeatability in different experiments for it is observed

  7. Crystallinity of the epitaxial heterojunction of C60 on single crystal pentacene

    Science.gov (United States)

    Tsuruta, Ryohei; Mizuno, Yuta; Hosokai, Takuya; Koganezawa, Tomoyuki; Ishii, Hisao; Nakayama, Yasuo

    2017-06-01

    The structure of pn heterojunctions is an important subject in the field of organic semiconductor devices. In this work, the crystallinity of an epitaxial pn heterojunction of C60 on single crystal pentacene is investigated by non-contact mode atomic force microscopy and high-resolution grazing incidence x-ray diffraction. Analysis shows that the C60 molecules assemble into grains consisting of single crystallites on the pentacene single crystal surface. The in-plane mean crystallite size exceeds 0.1 μm, which is at least five time larger than the size of crystallites deposited onto polycrystalline pentacene thin films grown on SiO2. The results indicate that improvement in the crystal quality of the underlying molecular substrate leads to drastic promotion of the crystallinity at the organic semiconductor heterojunction.

  8. Indentation plasticity of barium titanate single crystals: Dislocation influence on ferroelectric domain walls

    Energy Technology Data Exchange (ETDEWEB)

    Liu, D. [Department of Mechanical Engineering, University of Houston, 4800 Calhoun Road, Houston, TX 77204 (United States)]. E-mail: duo.liu@mail.uh.edu; Chelf, M. [Department of Mechanical Engineering, University of Houston, 4800 Calhoun Road, Houston, TX 77204 (United States); White, K.W. [Department of Mechanical Engineering, University of Houston, 4800 Calhoun Road, Houston, TX 77204 (United States)

    2006-10-15

    The plastic behaviors of barium titanate (001) and (110) single crystals are studied with atomic force microscopy and piezoresponse force microscopy (PFM) following nanoindendation damage. Plastic deformation mechanisms of ferroelectric barium titanate single crystals are discussed with a focus on the interaction between PFM response and dislocation activities. Nanoindentation tests indicate that the theoretical strength is approached prior to the first pop-in event, consistent with the creation of dislocation nucleation sites required for the onset of plasticity. Surface topographic and piezoelectric analyses indicate that pile-ups around indents result from dislocation activities on the primary slip system, {l_brace}110{r_brace}{sub pc}<11-bar 0>{sub pc}. The more complex indentation-induced domain patterns observed on (110) barium titanate are also discussed.

  9. Indentation plasticity of barium titanate single crystals: Dislocation influence on ferroelectric domain walls

    International Nuclear Information System (INIS)

    Liu, D.; Chelf, M.; White, K.W.

    2006-01-01

    The plastic behaviors of barium titanate (001) and (110) single crystals are studied with atomic force microscopy and piezoresponse force microscopy (PFM) following nanoindendation damage. Plastic deformation mechanisms of ferroelectric barium titanate single crystals are discussed with a focus on the interaction between PFM response and dislocation activities. Nanoindentation tests indicate that the theoretical strength is approached prior to the first pop-in event, consistent with the creation of dislocation nucleation sites required for the onset of plasticity. Surface topographic and piezoelectric analyses indicate that pile-ups around indents result from dislocation activities on the primary slip system, {110} pc pc . The more complex indentation-induced domain patterns observed on (110) barium titanate are also discussed

  10. Molecular beam studies of energy transfer in scattering from crystal surfaces

    International Nuclear Information System (INIS)

    Guthrie, W.L.

    1983-01-01

    The translational energy distributions and angular distributions of D 2 O produced from the reaction of incident D 2 and O 2 on a (111) platinum single crystal surface have been measured through the use of a molecular beam-surface scattering apparatus equipped with a time-of-flight spectrometer. The translation energies were measured over the surface temperature range T/sub s/ = 664 K - 913 K and at scattering angles of 7 0 and 40 0 from the surface normal. The D 2 O translational energy, , was found to be approximately half the equilibrium value over the temperature range examined, with /2k varying from 280 K to 480 K. These results are discussed in terms of a non-equilibrium desorption model. The two-photon ionization spectrometer was built to investigate the internal rotational and vibrational energy distributions of NO scattered from Pt(111) surfaces. The rotational energy distributions were measured over the crystal temperature range of T/sub s/ = 400 K - 1200 K. The translational energy distributions and angular distributions were measured using the time-of-flight spectrometer over the crystal temperature range of 400 K - 110 K and for beam translational energies of 0.046 eV, 0.11 eV and 0.24 eV, so that complete energy exchange information for translation, rotation and vibration is available for this gas-surface system. Significant energy transfer was observed in all three modes

  11. Deformation twinning in zinc-aluminium single crystals after slip

    International Nuclear Information System (INIS)

    Lukac, P.; Kral, F.; Trojanova, Z.; Kral, R.

    1993-01-01

    Deformation twinning in Zn-Al single crystals deformed by slip in the basal system is examined. The influence of temperature and the content of aluminium in zinc on the twinning stress is investigated in the temperature range from 198 to 373 K. It is shown that the twinning stress rises with increasing temperature and increases with the concentration of Al atoms. (orig.)

  12. Structural science using single crystal and pulse neutron scattering

    International Nuclear Information System (INIS)

    Noda, Yukio; Kimura, Hiroyuki; Watanabe, Masashi; Ishikawa, Yoshihisa; Tamura, Itaru; Arai, Masatoshi; Takahashi, Miwako; Ohshima, Ken-ichi; Abe, Hiroshi; Kamiyama, Takashi

    2008-01-01

    The application to single crystal neutron structural analysis is overviewed. Special attention is paid to the pulse neutron method, which will be available soon under J-PARC project in Japan. New proposal and preliminary experiment using Sirius at KENS are described. (author)

  13. Annealing behavior of solution grown polyethylene single crystals

    NARCIS (Netherlands)

    Loos, J.; Tian, M.

    2006-01-01

    The morphology evolution of solution grown polyethylene single crystals has been studied upon annealing below their melting temperature by using atomic force microscopy (AFM). AFM investigations have been performed ex situ, which means AFM investigations at room temperature after the annealing

  14. Corelli: Efficient single crystal diffraction with elastic discrimination

    Indian Academy of Sciences (India)

    Here, we discuss the potential of the cross-correlation technique for efficient measurement of single crystal diffuse scattering with energy discrimination, as will be implemented in a novel instrument, Corelli. Utilizing full experiment simulations, we show that this technique readily leads up to a fifty-fold gain in efficiency, ...

  15. Magnetic structure of URhSi single crystal

    Czech Academy of Sciences Publication Activity Database

    Prokeš, K.; Andreev, Alexander V.; Honda, F.; Sechovský, V.

    2003-01-01

    Roč. 261, - (2003), s. 131-138 ISSN 0304-8853 R&D Projects: GA ČR GA202/02/0739 Institutional research plan: CEZ:AV0Z1010914 Keywords : URhSi single crystal * magnetization * neutron diffraction * magnetic structure determination Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.910, year: 2003

  16. Bulk study of a DyNiAl single crystal

    Czech Academy of Sciences Publication Activity Database

    Prchal, J.; Andreev, Alexander V.; Javorský, P.; Honda, F.; Jurek, Karel

    272-276, - (2004), e419-e420 ISSN 0304-8853 R&D Projects: GA ČR GA106/02/0943 Keywords : rare-earth * DyNiAl * magnetic anisotropy * single crystal Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.031, year: 2004

  17. Lattice effects in HoVo(3) single crystal

    NARCIS (Netherlands)

    Sikora, M.; Marquina, C.; Ibarra, M. R.; Nugroho, A. A.; Palstra, T. T. M.

    We report the study of lattice effects in the Mott insulator HoVO3 performed by means of linear thermal expansion on a single crystal in the temperature range 10-290 K. The holmium orthovanadate HoVO3 reveals gradual orbital ordering (OO) below T-OO = 200K and orders antiferromagnetically at T-N =

  18. Synthesis and room temperature single crystal EPR studies of a ...

    Indian Academy of Sciences (India)

    Unknown

    Hamiltonian parameters calculated from single crystal rotations are: g ... studies on two nickel complexes with SalX ligands (X = NH, NCH3) have shown the ..... here the positive sign is required for a shell that is less than half-filled and the ...

  19. Growth features of ammonium hydrogen d-tartrate single crystals

    Indian Academy of Sciences (India)

    Unknown

    Abstract. Ammonium hydrogen d-tartrate (d-AHT) single crystals were grown in silica gel. The growth fea- ... solution (specific gravity, 1⋅04 g/cc) with d-tartaric acid solution having ... resulting in the production of crystal nuclei. The interface.

  20. Attenuation of thermal neutrons by an imperfect single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Naguib, K.; Adib, M. [National Research Centre, Cairo (Egypt). Reactor and Neutron Physics Dept.

    1996-06-14

    A semi-empirical formula is given which allows one to calculate the total thermal cross section of an imperfect single crystal as a function of crystal constants, temperature and neutron energy E, in the energy range between 3 meV and 10 eV. The formula also includes the contribution of the parasitic Bragg scattering to the total cross section that takes into account the crystal mosaic spread value and its orientation with respect to the neutron beam direction. A computer program (ISCANF) was developed to calculate the total attenuation of neutrons using the proposed formula. The ISCANF program was applied to investigate the neutron attenuation through a copper single crystal. The calculated values of the neutron transmission through the imperfect copper single crystal were fitted to the measured ones in the energy range 3-40 meV at different crystal orientations. The result of fitting shows that use of the computer program ISCANF allows one to predict the behaviour of the total cross section of an imperfect copper single crystal for the whole energy range. (author).

  1. Attenuation of thermal neutrons by an imperfect single crystal

    Science.gov (United States)

    Naguib, K.; Adib, M.

    1996-06-01

    A semi-empirical formula is given which allows one to calculate the total thermal cross section of an imperfect single crystal as a function of crystal constants, temperature and neutron energy E, in the energy range between 3 meV and 10 eV. The formula also includes the contribution of the parasitic Bragg scattering to the total cross section that takes into account the crystal mosaic spread value and its orientation with respect to the neutron beam direction. A computer program (ISCANF) was developed to calculate the total attenuation of neutrons using the proposed formula. The ISCANF program was applied to investigate the neutron attenuation through a copper single crystal. The calculated values of the neutron transmission through the imperfect copper single crystal were fitted to the measured ones in the energy range 3 - 40 meV at different crystal orientations. The result of fitting shows that use of the computer program ISCANF allows one to predict the behaviour of the total cross section of an imperfect copper single crystal for the whole energy range.

  2. Chromium and molybdenum diffusion in tungsten single crystals

    International Nuclear Information System (INIS)

    Klotsman, S.M.; Koloskov, V.M.; Osetrov, S.V.; Polikarpova, I.P.; Tatarinova, G.N.; Timofeev, A.N.

    1989-01-01

    Consideration is given to results of measuring temperature dependences of diffusion coefficients of homovalent impurities of chromium and molybdenum in tungsten single crystals. It is concluded that the difference of activation energies of selfdiffusion and impurity diffusion in the system 'tungsten-homovalent impurity' is conditioned by interaction of screened potentials of impurity and vacancy with Lazarus-Le Claire model

  3. Dynamic Actuation of Single-Crystal Diamond Nanobeams

    OpenAIRE

    Sohn, Young-Ik; Burek, Michael J.; Kara, Vural; Kearns, Ryan; Lončar, Marko

    2014-01-01

    We show the dielectrophoretic actuation of single-crystal diamond nanomechanical devices. Gradient radio-frequency electromagnetic forces are used to achieve actuation of both cantilever and doubly clamped beam structures, with operation frequencies ranging from a few MHz to ~50MHz. Frequency tuning and parametric actuation are also studied.

  4. High definition TV projection via single crystal faceplate technology

    Science.gov (United States)

    Kindl, H. J.; St. John, Thomas

    1993-03-01

    Single crystal phosphor faceplates are epitaxial phosphors grown on crystalline substrates with the advantages of high light output, resolution, and extended operational life. Single crystal phosphor faceplate industrial technology in the United States is capable of providing a faceplate appropriate to the projection industry of up to four (4) inches in diameter. Projection systems incorporating cathode ray tubes utilizing single crystal phosphor faceplates will produce 1500 lumens of white light with 1000 lines of resolution, non-interlaced. This 1500 lumen projection system will meet all of the currently specified luminance and resolution requirements of Visual Display systems for flight simulators. Significant logistic advantages accrue from the introduction of single crystal phosphor faceplate CRT's. Specifically, the full performance life of a CRT is expected to increase by a factor of five (5); ie, from 2000 to 10,000 hours of operation. There will be attendant reductions in maintenance time, spare CRT requirements, system down time, etc. The increased brightness of the projection system will allow use of lower gain, lower cost simulator screen material. Further, picture performance characteristics will be more balanced across the full simulator.

  5. On the growth of calcium tartrate tetrahydrate single crystals

    Indian Academy of Sciences (India)

    Unknown

    Abstract. Calcium tartrate single crystals were grown using silica gel as the growth medium. Calcium for- mate mixed with formic acid was taken as the supernatant solution. It was observed that the nucleation den- sity was reduced and the size of the crystals was improved to a large extent compared to the conventional way.

  6. Lattice location of helium in uranium dioxide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Garrido, F.; Nowicki, L. E-mail: lech.nowicki@fuw.edu.pl; Sattonnay, G.; Sauvage, T.; Thome, L

    2004-06-01

    Lattice location of {sup 3}He atoms implanted into UO{sub 2} single crystals was performed by means of the channeling technique combined with nuclear reaction analysis (NRA) and Rutherford backscattering spectrometry (RBS). The {sup 3}He(d,p){sup 4}He reaction was used. The experimental angular scans show that helium atoms occupy octahedral interstitial positions.

  7. Multiscale modelling of single crystal superalloys for gas turbine blades

    NARCIS (Netherlands)

    Tinga, T.

    2009-01-01

    Gas turbines are extensively used for power generation and for the propulsion of aircraft and vessels. Their most severely loaded parts, the turbine rotor blades, are manufactured from single crystal nickel-base superalloys. The superior high temperature behaviour of these materials is attributed to

  8. Discrete dislocation plasticity modeling of short cracks in single crystals

    NARCIS (Netherlands)

    Deshpande, VS; Needleman, A; Van der Giessen, E

    2003-01-01

    The mode-I crack growth behavior of geometrically similar edge-cracked single crystal specimens of varying size subject to both monotonic and cyclic axial loading is analyzed using discrete dislocation dynamics. Plastic deformation is modeled through the motion of edge dislocations in an elastic

  9. Double minimum creep of single crystal Ni-base superalloys

    Czech Academy of Sciences Publication Activity Database

    WU, X.; Wollgramm, P.; Somsen, C.; Dlouhý, Antonín; Kostka, A.; Eggeler, G.

    2016-01-01

    Roč. 112, JUN (2016), s. 242-260 ISSN 1359-6454 R&D Projects: GA ČR(CZ) GA14-22834S Institutional support: RVO:68081723 Keywords : Single crystal Ni-base superalloys * Primary creep * Transmission electron microscopy * Dislocations * Stacking faults Subject RIV: JG - Metallurgy Impact factor: 5.301, year: 2016

  10. Detection of anomalies in NLO sulphamic acid single crystals by ...

    Indian Academy of Sciences (India)

    The ultrasonic pulse echo overlap technique (PEO) has been used to measure the ... acid single crystals in the range of 300–400 K. This study evaluated all the elastic stiff- .... tic constants C11, C22, C33, C44, C55 and C66 have direct rela-.

  11. METHOD FOR MANUFACTURING A SINGLE CRYSTAL NANO-WIRE

    NARCIS (Netherlands)

    Van Den Berg, Albert; Bomer, Johan; Carlen Edwin, Thomas; Chen, Songyue; Kraaijenhagen Roderik, Adriaan; Pinedo Herbert, Michael

    2012-01-01

    A method for manufacturing a single crystal nano-structure includes providing a device layer with a 100 structure on a substrate; providing a stress layer onto the device layer; patterning the stress layer along the 110 direction of the device layer; selectively removing parts of the stress layer to

  12. METHOD FOR MANUFACTURING A SINGLE CRYSTAL NANO-WIRE.

    NARCIS (Netherlands)

    Van Den Berg, Albert; Bomer, Johan; Carlen Edwin, Thomas; Chen, Songyue; Kraaijenhagen Roderik, Adriaan; Pinedo Herbert, Michael

    2011-01-01

    A method for manufacturing a single crystal nano-structure is provided comprising the steps of providing a device layer with a 100 structure on a substrate; providing a stress layer onto the device layer; patterning the stress layer along the 110 direction of the device layer; selectively removing

  13. Deformation Mechanism and Recrystallization Relationships in Galfenol Single Crystals: On the Origin of Goss and Cube Orientations

    Science.gov (United States)

    Na, Suok-Min; Smith, Malcolm; Flatau, Alison B.

    2018-06-01

    In this work, deformation mechanism related to recrystallization behavior in single-crystal disks of Galfenol (Fe-Ga alloy) was investigated to gain insights into the influence of crystal orientations on structural changes and selective grain growth that take place during secondary recrystallization. We started with the three kinds of single-crystal samples with (011)[100], (001)[100], and (001)[110] orientations, which were rolled and annealed to promote the formation of different grain structures and texture evolutions. The initial Goss-oriented (011)[100] crystal mostly rotated into {111} orientations with twofold symmetry and shear band structures by twinning resulted in the exposure of rolled surface along {001} orientation during rolling. In contrast, the Cube-oriented (001)[100] single crystal had no change in texture during rolling with the thickness reduction up to 50 pct. The {123} slip systems were preferentially activated in these single crystals during deformation as well as {112} slip systems that are known to play a role in primary slip of body-centered cubic (BCC) materials such as α-iron and Fe-Si alloys. After annealing, the deformed Cube-oriented single crystal had a small fraction ( orientation, associated with {123} slip systems as well. This was expected to provide potential sites of nucleation for secondary recrystallization; however, no Goss- and Cube-oriented components actually developed in this sample during secondary recrystallization. Those results illustrated how the recrystallization behavior can be influenced by deformed structure and the slip systems.

  14. Thin films of metal oxides on metal single crystals: Structure and growth by scanning tunneling microscopy

    International Nuclear Information System (INIS)

    Galloway, H.C.

    1995-12-01

    Detailed studies of the growth and structure of thin films of metal oxides grown on metal single crystal surfaces using Scanning Tunneling Microscopy (STM) are presented. The oxide overlayer systems studied are iron oxide and titanium oxide on the Pt(III) surface. The complexity of the metal oxides and large lattice mismatches often lead to surface structures with large unit cells. These are particularly suited to a local real space technique such as scanning tunneling microscopy. In particular, the symmetry that is directly observed with the STM elucidates the relationship of the oxide overlayers to the substrate as well as distinguishing, the structures of different oxides

  15. Electronic transport properties of single crystal thallium-2201 superconductors

    International Nuclear Information System (INIS)

    Yandrofski, R.M.

    1992-01-01

    Four-probe resistance measurements on single crystals of the calcium-free thallium-based superconducting Tl 2 Ba 2 CuO 6+σ phase (Tl-2201) were performed in magnetic fields up to 12 Telsa. Single crystals of sizes were grown by a self-flux technique and were characterized by single crystal X-ray diffraction and X-ray Dispersive Analysis. Field measurements were taken at dc and at low frequencies using a lock-in technique. Techniques were developed to oxygen-anneal the as-grown single crystals to generate single crystal samples of the same Tl-2201 phase with varying transition interaction effect against appropriate composite general alternatives are developed for the standard two-way layout with a single observation per cell. Nonparametric aligned-rank test procedures are introduced. One of the new procedures is shown to be equivalent to a slight modification of the previously studied Latin square procedures when the factors have the same number of levels. The equal in distribution technique is used to show that any statistic based on the joint ranks should not be used to test the hypotheses of interest. The tests based on aligning with the averages do not depend on the nuisance main effects, while those based on aligning with the median do depend on the nuisance main effects. The relative power performance of the competing tests are examined via Monte Carlo simulation. Power studies conducted on the 5 x 5, 5 x 6, and 5 x 9 two-way layouts with one observation per cell show that the new procedures based on a comparison of all possible pairs of rank-profiles perform quite well for two types of product interaction, a general class of interaction effects proposed by Martin, and several sets of specific interaction effects. Approximate critical values for some of the proposed procedures are explored in the special case when the main effect parameters for one factor are known

  16. Resistive switching behavior in single crystal SrTiO{sub 3} annealed by laser

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Xinqiang [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Shuai, Yao, E-mail: yshuai@uestc.edu.cn [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Collaboration Innovation Center of Electronic Materials and Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Wu, Chuangui, E-mail: cgwu@uestc.edu.cn [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Collaboration Innovation Center of Electronic Materials and Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Luo, Wenbo [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Collaboration Innovation Center of Electronic Materials and Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Sun, Xiangyu [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Yuan, Ye; Zhou, Shengqiang [Helmholtz-Zentrum Dresden Rossendorf, Institute of Ion Beam Physics and Materials Research, Bautzner Landstrasse 400, D-01328 Dresden (Germany); Ou, Xin [State Key Laboratory of Functional Material for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Zhang, Wanli [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Collaboration Innovation Center of Electronic Materials and Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China)

    2016-12-15

    Highlights: • Laser annealing was used to introduce oxygen vacancies into the single crystal SrTiO{sub 3}. • The effect of laser annealing with different fluence on the single crystal SrTiO{sub 3} was systematically studied. • The concentration of oxygen vacancies can be tuned by changing the fluence of laser. • Resistive switching behavior was observed in the sample with relatively high laser fluence after an electro-forming process. - Abstract: Single crystal SrTiO{sub 3} (STO) wafers were annealed by XeCl laser (λ = 308 nm) with different fluences of 0.4 J/cm{sup 2}, 0.6 J/cm{sup 2} and 0.8 J/cm{sup 2}, respectively. Ti/Pt electrodes were sputtered on the surface of STO wafer to form co-planar capacitor-like structures of Pt/Ti/STO/Ti/Pt. Current-Voltage measurements show that the leakage current is enhanced by increasing laser fluence. Resistive switching behavior is only observed in the sample annealed by laser with relatively high fluence after an electro-forming process. The X-ray photoelectron spectroscopy measurements indicate that the amount of oxygen vacancies increases with the increase of laser fluence. This work indicates resistive switching appears when enough oxygen vacancies are generated by the laser, which form conductive filaments under an external electric field.

  17. Encapsulation of nanoparticles into single-crystal ZnO nanorods and microrods

    Directory of Open Access Journals (Sweden)

    Jinzhang Liu

    2014-04-01

    Full Text Available One-dimensional single crystal incorporating functional nanoparticles of other materials could be an interesting platform for various applications. We studied the encapsulation of nanoparticles into single-crystal ZnO nanorods by exploiting the crystal growth of ZnO in aqueous solution. Two types of nanodiamonds with mean diameters of 10 nm and 40 nm, respectively, and polymer nanobeads with size of 200 nm have been used to study the encapsulation process. It was found that by regrowing these ZnO nanorods with nanoparticles attached to their surfaces, a full encapsulation of nanoparticles into nanorods can be achieved. We demonstrate that our low-temperature aqueous solution growth of ZnO nanorods do not affect or cause degradation of the nanoparticles of either inorganic or organic materials. This new growth method opens the way to a plethora of applications combining the properties of single crystal host and encapsulated nanoparticles. We perform micro-photoluminescence measurement on a single ZnO nanorod containing luminescent nanodiamonds and the spectrum has a different shape from that of naked nanodiamonds, revealing the cavity effect of ZnO nanorod.

  18. Vickers Hardness of Diamond and cBN Single Crystals: AFM Approach

    Directory of Open Access Journals (Sweden)

    Sergey Dub

    2017-12-01

    Full Text Available Atomic force microscopy in different operation modes (topography, derivative topography, and phase contrast was used to obtain 3D images of Vickers indents on the surface of diamond and cBN single crystals with high spatial resolution. Confocal Raman spectroscopy and Kelvin probe force microscopy were used to study the structure of the material in the indents. It was found that Vickers indents in diamond has no sharp and clear borders. However, the phase contrast operation mode of the AFM reveals a new viscoelastic phase in the indent in diamond. Raman spectroscopy and Kelvin probe force microscopy revealed that the new phase in the indent is disordered graphite, which was formed due to the pressure-induced phase transformation in the diamond during the hardness test. The projected contact area of the graphite layer in the indent allows us to measure the Vickers hardness of type-Ib synthetic diamond. In contrast to diamond, very high plasticity was observed for 0.5 N load indents on the (001 cBN single crystal face. Radial and ring cracks were absent, the shape of the indents was close to a square, and there were linear details in the indent, which looked like slip lines. The Vickers hardness of the (111 synthetic diamond and (111 and (001 cBN single crystals were determined using the AFM images and with account for the elastic deformation of the diamond Vickers indenter during the tests.

  19. Solution growth of single crystal methylammonium lead halide perovskite nanostructures for optoelectronic and photovoltaic applications.

    Science.gov (United States)

    Fu, Yongping; Meng, Fei; Rowley, Matthew B; Thompson, Blaise J; Shearer, Melinda J; Ma, Dewei; Hamers, Robert J; Wright, John C; Jin, Song

    2015-05-06

    Understanding crystal growth and improving material quality is important for improving semiconductors for electronic, optoelectronic, and photovoltaic applications. Amidst the surging interest in solar cells based on hybrid organic-inorganic lead halide perovskites and the exciting progress in device performance, improved understanding and better control of the crystal growth of these perovskites could further boost their optoelectronic and photovoltaic performance. Here, we report new insights on the crystal growth of the perovskite materials, especially crystalline nanostructures. Specifically, single crystal nanowires, nanorods, and nanoplates of methylammonium lead halide perovskites (CH3NH3PbI3 and CH3NH3PbBr3) are successfully grown via a dissolution-recrystallization pathway in a solution synthesis from lead iodide (or lead acetate) films coated on substrates. These single crystal nanostructures display strong room-temperature photoluminescence and long carrier lifetime. We also report that a solid-liquid interfacial conversion reaction can create a highly crystalline, nanostructured MAPbI3 film with micrometer grain size and high surface coverage that enables photovoltaic devices with a power conversion efficiency of 10.6%. These results suggest that single-crystal perovskite nanostructures provide improved photophysical properties that are important for fundamental studies and future applications in nanoscale optoelectronic and photonic devices.

  20. Positron annihilation in single crystals of TiO2, VO2, Pb, and U

    International Nuclear Information System (INIS)

    Blau, M.

    1982-09-01

    Two positron annihilation set-ups for Doppler broadening correlation measurements are described. The Doppler broadening spectra were measured in different directions of single crystals of TiO 2 and VO 2 , at room temperature. The anisotropy was explained using two models in which the positron behaves as a free or bounded particle, and was related to the effective charge on the oxygen ion. The changes in the spectra in VO 2 , on passing from the insulator to the metal phase, were found to be gradual and small. The results indicate that the main contribution to the metal-insulator transition is due to changes in the relative occupation of the oxygen p-states and not to changes in covalency or screening. Angular correlations were measured in single crystals of lead in three crystallographic directions. The derivatives of the spectra were compared with the Fermi surface obtained from dHvA measurements, using plane-wave electrons. Most of the features of the experimental derivatives were explained with this simple model. Angular correlation measurements were made on single crystals of uranium in two crystallographic directions. The derivates of the spectra were very wide with a few peaks. (Author)

  1. Neutron-Phonon Interaction Studies in Copper, Zinc and Magnesium Single Crystals

    International Nuclear Information System (INIS)

    Maliszewski, E.; Sosnowski, J.; Blinowski, K.; Kozubowski, J.; Padlo, L.; Sledziewska, D.

    1963-01-01

    The phonon dispersion relations in copper single crystals has been studied by means of a triple-axis crystal neutron spectrometer. In the [100] direction the transversal branch, not reported in the papers of Cabie and Jacrot, has been found. This branch fits well to the recent data of sound velocity; however, it differs partly from the X-ray results of Jacobsen. For the longitudinal branch in the [100] direction the dispersion curve obtained by Cribier and Jacrot is lying well above the Jacobsen's curve, and the experimental points reported in the present paper support the results of Cribier and Jacrot. The phonon dispersion relations in zinc and magnesium single crystals has been studied using the cold neutron method and by means of a triple-axis crystal neutron spectrometer as well. The scattering surfaces in the [1010] plane were traced, the AT and AL branches found and the phonon dispersion relations in the [001] and [010] directions obtained. The results have been compared with those obtained by Johnson with X-rays. In the [001] direction the present results fit well lo Johnson's foe the AL branch. In the [010] direction for the AT branch a large discrepancy has been found between Johnson's and the present results. Some explanation of this discrepancy is given. Similar measurements in the same directions in magnesium single crystals are under way and will be reported. (author) [fr

  2. Encapsulation of nanoparticles into single-crystal ZnO nanorods and microrods.

    Science.gov (United States)

    Liu, Jinzhang; Notarianni, Marco; Rintoul, Llew; Motta, Nunzio

    2014-01-01

    One-dimensional single crystal incorporating functional nanoparticles of other materials could be an interesting platform for various applications. We studied the encapsulation of nanoparticles into single-crystal ZnO nanorods by exploiting the crystal growth of ZnO in aqueous solution. Two types of nanodiamonds with mean diameters of 10 nm and 40 nm, respectively, and polymer nanobeads with size of 200 nm have been used to study the encapsulation process. It was found that by regrowing these ZnO nanorods with nanoparticles attached to their surfaces, a full encapsulation of nanoparticles into nanorods can be achieved. We demonstrate that our low-temperature aqueous solution growth of ZnO nanorods do not affect or cause degradation of the nanoparticles of either inorganic or organic materials. This new growth method opens the way to a plethora of applications combining the properties of single crystal host and encapsulated nanoparticles. We perform micro-photoluminescence measurement on a single ZnO nanorod containing luminescent nanodiamonds and the spectrum has a different shape from that of naked nanodiamonds, revealing the cavity effect of ZnO nanorod.

  3. Twinning processes in Cu-Al-Ni martensite single crystals investigated by neutron single crystal diffraction method

    International Nuclear Information System (INIS)

    Molnar, P.; Sittner, P.; Novak, V.; Lukas, P.

    2008-01-01

    A neutron single crystal diffraction method for inspecting the quality of martensite single crystals is introduced. True interface-free martensite single crystals are indispensable for, e.g. measurement of elastic constants of phases by ultrasonic techniques. The neutron diffraction method was used to detect and distinguish the presence of individual lattice correspondence variants of the 2H orthorhombic martensite phase in Cu-Al-Ni as well as to follow the activity of twinning processes during the deformation test on the martensite variant single crystals. When preparing the martensite single variant prism-shaped crystals by compression deformation method, typically a small fraction of second unwanted martensitic variant (compound twin) remains in the prism samples. Due to the very low stress (∼1 MPa) for the compound twinning in many shape memory alloys, it is quite difficult not only to deplete the martensite prisms of all internal interfaces but mainly to keep them in the martensite single variant state for a long time needed for further investigations

  4. Twinning processes in Cu-Al-Ni martensite single crystals investigated by neutron single crystal diffraction method

    Czech Academy of Sciences Publication Activity Database

    Molnar, P.; Šittner, P.; Novák, V.; Lukáš, Petr

    2008-01-01

    Roč. 481, Sp.Iss.SI (2008), s. 513-517 ISSN 0921-5093 R&D Projects: GA AV ČR IAA100480704 Institutional research plan: CEZ:AV0Z10480505 Keywords : Cu-Al-Ni * single crystals * neutron diffraction Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.806, year: 2008

  5. Tl{sub 10}Hg{sub 3}Cl{sub 16}: Single crystal growth, electronic structure and piezoelectric properties

    Energy Technology Data Exchange (ETDEWEB)

    Khyzhun, O.Y., E-mail: khyzhun@ipms.kiev.ua [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky Street, 03142 Kyiv (Ukraine); Piasecki, M. [Institute of Physics, J.Dlugosz University Częstochowa, Armii Krajowej 13/15, Częstochowa PL-42-217 (Poland); Kityk, I.V. [Electrical Engineering Department, Częstochowa University Technology, Armii Krajowej 17, PL-42-200 Częstochowa (Poland); Luzhnyi, I. [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky Street, 03142 Kyiv (Ukraine); Fedorchuk, A.O. [Department of Inorganic and Organic Chemistry, Lviv National University of Veterinary Medicine and Biotechnologies, 50 Pekarska Street, 79010 Lviv (Ukraine); Fochuk, P.M. [Yuriy Fed’kovych Chernivtsi National University, 2 Kotziubynskoho Street, 58012 Chernivtsi (Ukraine); Levkovets, S.I. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, 13 Voli Avenue, 43025 Lutsk (Ukraine); Karpets, M.V. [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky Street, 03142 Kyiv (Ukraine); Parasyuk, O.V. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, 13 Voli Avenue, 43025 Lutsk (Ukraine)

    2016-10-15

    Single crystal of the ternary halide Tl{sub 10}Hg{sub 3}Cl{sub 16} was grown using Bridgman-Stockbarger method. For the Tl{sub 10}Hg{sub 3}Cl{sub 16} crystal, we have measured X-ray photoelectron spectra for both pristine and Ar{sup +} ion-bombarded surfaces and additionally investigated photoinduced piezoelectricity. Our data indicate that the Tl{sub 10}Hg{sub 3}Cl{sub 16} single crystal surface is very sensitive with respect to Ar{sup +} ion-bombardment. In particular, Ar{sup +} ion-bombardment with energy of 3.0 keV over 5 min at an ion current density of 14 μA/cm{sup 2} causes significant changes of the elemental stoichiometry of the Tl{sub 10}Hg{sub 3}Cl{sub 16} surface resulting in an abrupt decrease of the mercury content in the top surface layers of the studied single crystal. As a result of the treatment, the mercury content becomes nil in the top surface layers. In addition, the present XPS measurements allow for concluding about very low hygroscopicity of the Tl{sub 10}Hg{sub 3}Cl{sub 16} single crystal surface. The property is extremely important for the crystal handling in optoelectronic or nano-electronic devices working at ambient conditions. The photoinduced piezoelectricity has been explored for Tl{sub 10}Hg{sub 3}Cl{sub 16} depending on nitrogen (λ=371 nm) laser power density and temperature. - Graphical abstract: As-grown single crystal boule of Tl{sub 10}Hg{sub 3}Cl{sub 16}; dependence of the effective piezoelecric coefficient d{sub 33} versus the photoinducing nitrogen laser power density, I, at different temperatures, T; and packing of the polyhedra of halide atoms around Hg atoms in the Tl{sub 10}Hg{sub 3}Cl{sub 16} structure. - Highlights: • High-quality Tl{sub 10}Hg{sub 3}Cl{sub 16} single crystal has been grown by Bridgman-Stockbarger method. • Electronic structure of Tl{sub 10}Hg{sub 3}Cl{sub 16} is studied by the XPS method. • Tl{sub 10}Hg{sub 3}Cl{sub 16} single crystal surface is sensitive with respect to Ar{sup +} ion

  6. Self-Assembly of Single-Crystal Silver Microflakes on Reduced Graphene Oxide and their Use in Ultrasensitive Sensors

    KAUST Repository

    Chen, Ye; Tao, Jing; Hammami, Mohamed Amen; Hoang, Phuong Mai; Khashab, Niveen M.

    2016-01-01

    Compared to 1D structures, 2D structures have higher specific and active surface, which drastically improves electron transfer and extensibility along 2D plane. Herein, 2D-single crystal silver microflakes (AgMFs) are prepared for the first time

  7. Understanding surface structure and chemistry of single crystal lanthanum aluminate

    KAUST Repository

    Pramana, Stevin S.; Cavallaro, Andrea; Qi, Jiahui; Nicklin, Chris L.; Ryan, Mary P.; Skinner, Stephen J.

    2017-01-01

    pressure of 10−10 Torr, but rather an increased Al-O occupancy occurred, which was accompanied by a larger outwards relaxation of Al from the bulk positions. Changing the oxygen pressure to 10−6 Torr enriched the Al site occupancy fraction at the outermost

  8. Single Crystals of Organolead Halide Perovskites: Growth, Characterization, and Applications

    KAUST Repository

    Peng, Wei

    2017-04-01

    With the soaring advancement of organolead halide perovskite solar cells rising from a power conversion efficiency of merely 3% to more than 22% shortly in five years, researchers’ interests on this big material family have been greatly spurred. So far, both in-depth studies on the fundamental properties of organolead halide perovskites and their extended applications such as photodetectors, light emitting diodes, and lasing have been intensively reported. The great successes have been ascribed to various superior properties of organolead halide hybrid perovskites such as long carrier lifetimes, high carrier mobility, and solution-processable high quality thin films, as will be discussed in Chapter 1. Notably, most of these studies have been limited to their polycrystalline thin films. Single crystals, as a counter form of polycrystals, have no grain boundaries and higher crystallinity, and thus less defects. These characteristics gift single crystals with superior optical, electrical, and mechanical properties, which will be discussed in Chapter 2. For example, organolead halide perovskite single crystals have been reported with much longer carrier lifetimes and higher carrier mobilities, which are especially intriguing for optoelectronic applications. Besides their superior optoelectronic properties, organolead halide perovskites have shown large composition versatility, especially their organic components, which can be controlled to effectively adjust their crystal structures and further fundamental properties. Single crystals are an ideal platform for such composition-structure-property study since a uniform structure with homogeneous compositions and without distraction from grain boundaries as well as excess defects can provide unambiguously information of material properties. As a major part of work of this dissertation, explorative work on the composition-structure-property study of organic-cation-alloyed organolead halide perovskites using their single

  9. Single-Crystal Mesoporous ZnO Thin Films Composed of Nanowalls

    KAUST Repository

    Wang, Xudong

    2009-02-05

    This paper presents a controlled, large scale fabrication of mesoporous ZnO thin films. The entire ZnO mesoporous film is one piece of a single crystal, while high porosity made of nanowalls is present. The growth mechanism was proposed in comparison with the growth of ZnO nanowires. The ZnO mesoporous film was successfully applied as a gas sensor. The fabrication and growth analysis of the mesoporous ZnO thin film gi ve general guidance for the controlled growth of nanostructures. It also pro vides a unique structure with a superhigh surface-to-volume ratio for surface-related applications. © 2009 American Chemical Society.

  10. Influence of uranium dioxide nonstoichiometric oxygen on the work function of Mo(110) single crystal

    International Nuclear Information System (INIS)

    Bekmukhabetov, E.S.; Dzhajmurzin, A.A.; Imanbekov, Zh.Zh.

    1985-01-01

    The influence of the uranium dioxide nonstoichiometric oxygen on the work function of a Mo(110) single crystal has been studied. When the surface diffusion of oxygen on the tested surface takes place, the work function is shown to decrease and, subsequently, to increase until it becomes stable. The dependence of the work function on the temperature of the specimen in the range of 1600-1900 K with a minimum at 1730 K has been found. The minimum is attributed to the dipole layer formation

  11. Scanning Tunneling Microscopy Measurements of the Full Cycle of a Heterogeneous Asymmetric Hydrogenation Reaction on Chirally Modified Pt(111)

    DEFF Research Database (Denmark)

    Demers-Carpentier, Vincent; Goubert, Guillaume; Masini, Federico

    2012-01-01

    -(1-naphthyl)ethylamine, ((R)-NEA), as the modifier. On the nonmodified surface, introduction of H2 at a background pressure of ∼1 × 10–6 mbar leads to the rapid break-up of TFAP dimer structures followed by the gradual removal of all TFAP-related images. During the latter step, some monomers display an extra...

  12. Observation of martensitic structure evolution in Cu-Al-Ni single crystals with shape memory effect under external load using photoacoustic microscopy

    International Nuclear Information System (INIS)

    Muratikov, K.L.; Glazov, A.L.; Nikolaev, V.I.; Pul'nev, S.A.

    2006-01-01

    Photoacoustic microscopy is applied to observe the surface structure of Cu-Al-Ni shape-memory single crystals in both the loaded and unloaded states. Visualizing the early stages of the loading-induced martensitic transformation in Cu-Al-Ni single crystals is demonstrated to be feasible. The photoacoustic images are distinguished to advantage from the corresponding optical images by a higher contrast between different phases of the Cu-Al-Ni shape-memory alloy [ru

  13. Energy barriers for interlayer diffusion in Pt/Pt(111) and Rh/Rh(111) homoepitaxy: small islands

    Czech Academy of Sciences Publication Activity Database

    Máca, František; Kotrla, Miroslav; Trushin, O. S.

    1999-01-01

    Roč. 49, č. 11 (1999), s. 1591-1596 ISSN 0011-4626. [Symposium on Surface Physics /8./. Třešť, 28.06.1999-02.07.1999] R&D Projects: GA MŠk OC P3.80 Institutional research plan: CEZ:AV0Z1010914 Keywords : molecular statics * energy barriers * Pt and Rh Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.328, year: 1999

  14. Aluminum-rich mesoporous MFI - type zeolite single crystals

    DEFF Research Database (Denmark)

    Kustova, Marina; Kustov, Arkadii; Christensen, Christina Hviid

    2005-01-01

    Zeolitcs are crystalline materials, which are widely used as solid acid catalysts and supports in many industrial processes. Recently, mesoporous MFI-type zeolite single crystals were synthesized by use of carbon particles as a mesopore template and sodium aluminate as the aluminum Source....... With this technique, only zeolites with relatively low Al contents were reported (Si/Al ratio about 100). In this work, the preparation of aluminum-rich mesoporous MFI-type zeolite single crystals (Si/Al similar to 16-50) using aluminum isopropoxide as the aluminum Source is reported for the first time. All samples...... are characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM), ammonia temperature programmed desorption (NH3-TPD), and N-2 adsorption measurements. The obtained zeolites combine the high crystallinity and the characteristic micropores of zeolites with an intracrystalline mesopore system...

  15. Resistivity distribution of silicon single crystals using codoping

    Science.gov (United States)

    Wang, Jong Hoe

    2005-07-01

    Numerous studies including continuous Czochralski method and double crucible technique have been reported on the control of macroscopic axial resistivity distribution in bulk crystal growth. The simple codoping method for improving the productivity of silicon single-crystal growth by controlling axial specific resistivity distribution was proposed by Wang [Jpn. J. Appl. Phys. 43 (2004) 4079]. Wang [J. Crystal Growth 275 (2005) e73] demonstrated using numerical analysis and by experimental results that the axial specific resistivity distribution can be modified in melt growth of silicon crystals and relatively uniform profile is possible by B-P codoping method. In this work, the basic characteristic of 8 in silicon single crystal grown using codoping method is studied and whether proposed method has advantage for the silicon crystal growth is discussed.

  16. Young's Modulus of Single-Crystal Fullerene C Nanotubes

    Directory of Open Access Journals (Sweden)

    Tokushi Kizuka

    2012-01-01

    Full Text Available We performed bending tests on single-crystal nanotubes composed of fullerene C70 molecules by in situ transmission electron microscopy with measurements of loading forces by an optical deflection method. The nanotubes with the outer diameters of 270–470 nm were bent using simple-beam and cantilever-beam loading by the piezomanipulation of silicon nanotips. Young's modulus of the nanotubes increased from 61 GPa to 110 GPa as the outer diameter decreased from 470 nm to 270 nm. Young's modulus was estimated to be 66% of that of single-crystal C60 nanotubes of the same outer diameter.

  17. Ordered macro-microporous metal-organic framework single crystals

    Science.gov (United States)

    Shen, Kui; Zhang, Lei; Chen, Xiaodong; Liu, Lingmei; Zhang, Daliang; Han, Yu; Chen, Junying; Long, Jilan; Luque, Rafael; Li, Yingwei; Chen, Banglin

    2018-01-01

    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional–ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent–induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  18. Heterogeneous Monolithic Integration of Single-Crystal Organic Materials.

    Science.gov (United States)

    Park, Kyung Sun; Baek, Jangmi; Park, Yoonkyung; Lee, Lynn; Hyon, Jinho; Koo Lee, Yong-Eun; Shrestha, Nabeen K; Kang, Youngjong; Sung, Myung Mo

    2017-02-01

    Manufacturing high-performance organic electronic circuits requires the effective heterogeneous integration of different nanoscale organic materials with uniform morphology and high crystallinity in a desired arrangement. In particular, the development of high-performance organic electronic and optoelectronic devices relies on high-quality single crystals that show optimal intrinsic charge-transport properties and electrical performance. Moreover, the heterogeneous integration of organic materials on a single substrate in a monolithic way is highly demanded for the production of fundamental organic electronic components as well as complex integrated circuits. Many of the various methods that have been designed to pattern multiple heterogeneous organic materials on a substrate and the heterogeneous integration of organic single crystals with their crystal growth are described here. Critical issues that have been encountered in the development of high-performance organic integrated electronics are also addressed. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Ordered macro-microporous metal-organic framework single crystals

    KAUST Repository

    Shen, Kui

    2018-01-16

    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional-ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent-induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  20. Scintillation activity in an unirradiated single crystal of 3-hydroxyxanthine

    International Nuclear Information System (INIS)

    Cooke, D.W.; Jahan, M.S.; Alexander, C. Jr.

    1976-01-01

    A method of growing single crystals (approximately 4mm long) of 3-hydroxyxanthine is described. Observed scintillations occurring in an unirradiated single crystal of this potent oncogen as the temperature is lowered from 300 to 90 K are shown. It was found that these scintillations occur upon heating or cooling and do not diminish in activity as the number of heating and cooling cycles increase. It was found that a short duration u.v. exposure would terminate the scintillation activity and various attempts (such as annealing and pressure changes) to rejuvenate them were unsuccessful. With these observations in mind speculation is made concerning the mechanisms associated with the production of purine N-oxide derivatives. (U.K.)

  1. Ordered macro-microporous metal-organic framework single crystals

    KAUST Repository

    Shen, Kui; Zhang, Lei; Chen, Xiaodong; Liu, Lingmei; Zhang, Daliang; Han, Yu; Chen, Junying; Long, Jilan; Luque, Rafael; Li, Yingwei; Chen, Banglin

    2018-01-01

    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional-ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent-induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  2. Spall behaviour of single crystal aluminium at three principal orientations

    Science.gov (United States)

    Owen, G. D.; Chapman, D. J.; Whiteman, G.; Stirk, S. M.; Millett, J. C. F.; Johnson, S.

    2017-10-01

    A series of plate impact experiments have been conducted to study the spall strength of the three principal crystallographic orientations of single crystal aluminium ([100], [110] and, [111]) and ultra-pure polycrystalline aluminium. The samples have been shock loaded at two impact stresses (4 GPa and 10 GPa). Significant differences have been observed in the elastic behaviour, the pullback velocities, and the general shape of the wave profiles, which can be accounted for by considerations of the microscale homogeneity, the dislocation density, and the absence of grain boundaries in the single crystal materials. The data have shown that there is a consistent order of spall strength measured for the four sample materials. The [111] orientation has the largest spall strength and elastic limit, followed closely by [110], [100], and then the polycrystalline material. This order is consistent with both quasi-static data and geometrical consideration of Schmid factors.

  3. Low temperature deformation mechanisms in LiF single crystals

    International Nuclear Information System (INIS)

    Fotedar, H.L.; Stroebe, T.G.

    1976-01-01

    An analysis of the deformation behavior of high purity LiF single crystals is given using yielding and work hardening data and thermally activated deformation parameters obtained in the temperature range 77-423 0 K. It is found that while the Fleischer mechanism is apparently valid experimentally over the thermally activated temperature range, vacancies produced in large numbers at 77 0 K could also play a role in determining the critical resolved shear stress at that temperature

  4. Trapezoidal diffraction grating beam splitters in single crystal diamond

    Science.gov (United States)

    Kiss, Marcell; Graziosi, Teodoro; Quack, Niels

    2018-02-01

    Single Crystal Diamond has been recognized as a prime material for optical components in high power applications due to low absorption and high thermal conductivity. However, diamond microstructuring remains challenging. Here, we report on the fabrication and characterization of optical diffraction gratings exhibiting a symmetric trapezoidal profile etched into a single crystal diamond substrate. The optimized grating geometry diffracts the transmitted optical power into precisely defined proportions, performing as an effective beam splitter. We fabricate our gratings in commercially available single crystal CVD diamond plates (2.6mm x 2.6mm x 0.3mm). Using a sputter deposited hard mask and patterning by contact lithography, the diamond is etched in an inductively coupled oxygen plasma with zero platen power. The etch process effectively reveals the characteristic {111} diamond crystal planes, creating a precisely defined angled (54.7°) profile. SEM and AFM measurements of the fabricated gratings evidence the trapezoidal shape with a pitch of 3.82μm, depth of 170 nm and duty cycle of 35.5%. Optical characterization is performed in transmission using a 650nm laser source perpendicular to the sample. The recorded transmitted optical power as function of detector rotation angle shows a distribution of 21.1% in the 0th order and 23.6% in each +/-1st order (16.1% reflected, 16.6% in higher orders). To our knowledge, this is the first demonstration of diffraction gratings with trapezoidal profile in single crystal diamond. The fabrication process will enable beam splitter gratings of custom defined optical power distribution profiles, while antireflection coatings can increase the efficiency.

  5. Photon emission by electrons and positrons traversing thin single crystal

    International Nuclear Information System (INIS)

    Ol'chak, A.S.

    1984-01-01

    Radiation emission by planar channeled particles (electrons, positrons) in a thin single crystal of thickness L is considered. It is shown that for L approximately πb/THETAsub(L) (b is the lattice constant, THETA sub(L) the Lindhard angle) besides the main spontaneous channeling maxima there exist auxiliary interference maxima, the positions of all the maxima depending on L. The dependence of the radiation spectral intensity on crystal thickness is discussed

  6. Single-crystal diffraction instrument TriCS at SINQ

    Science.gov (United States)

    Schefer, J.; Könnecke, M.; Murasik, A.; Czopnik, A.; Strässle, Th; Keller, P.; Schlumpf, N.

    2000-03-01

    The single-crystal diffractometer TriCS at the Swiss Continuous Spallation Source (SINQ) is presently in the commissioning phase. A two-dimensional wire detector produced by EMBL was delivered in March 1999. The instrument is presently tested with a single detector. First measurements on magnetic structures have been performed. The instrument is remotely controlled using JAVA-based software and a UNIX DEC-α host computer.

  7. The Taylor relation in compression deformed Ge single crystals

    International Nuclear Information System (INIS)

    Nyilas, K; Ungar, T; Dupas, C; Martin, J L; Kruml, T

    2010-01-01

    Ge single crystals are deformed in compression at 850K and the same strain rate to various extents of strains. In each sample, the internal stress is measured through stress reduction tests and the dislocation densities by X-ray measurements. Data about these two parameters follow fairly well the Taylor-Saada relation, provided a correction term is added. It probably corresponds to dislocations which are seen by X-rays, though they do not contribute to crystal hardening.

  8. Three-dimensional charge transport in organic semiconductor single crystals.

    Science.gov (United States)

    He, Tao; Zhang, Xiying; Jia, Jiong; Li, Yexin; Tao, Xutang

    2012-04-24

    Three-dimensional charge transport anisotropy in organic semiconductor single crystals - both plates and rods (above and below, respectively, in the figure) - is measured in well-performing organic field-effect transistors for the first time. The results provide an excellent model for molecular design and device preparation that leads to good performance. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. A macroscopic model for magnetic shape-memory single crystals

    Czech Academy of Sciences Publication Activity Database

    Bessoud, A. L.; Kružík, Martin; Stefanelli, U.

    2013-01-01

    Roč. 64, č. 2 (2013), s. 343-359 ISSN 0044-2275 R&D Projects: GA AV ČR IAA100750802; GA ČR GAP201/10/0357 Institutional support: RVO:67985556 Keywords : magnetostriction * evolution Subject RIV: BA - General Mathematics Impact factor: 1.214, year: 2013 http://library.utia.cas.cz/separaty/2012/MTR/kruzik-a macroscopic model for magnetic shape- memory single crystals.pdf

  10. Application of GRID to Foreign Atom Localization in Single Crystals.

    Science.gov (United States)

    Karmann, A; Wesch, W; Weber, B; Börner, H G; Jentschel, M

    2000-01-01

    The application of GRID (Gamma Ray Induced Doppler broadening) spectroscopy to the localization of foreign atoms in single crystals is demonstrated on erbium in YAP. By the investigation of the Doppler broadened secondary γ line for two crystalline directions, the Er was determined to be localized on the Y site. Conditions for the nuclear parameters of the impurity atoms used for the application of GRID spectroscopy are discussed.

  11. Preparation and characterization of single-crystal multiferroic nanofiber composites

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Zhaohui; Xiao, Zhen; Yin, Simin; Mai, Jiangquan; Liu, Zhenya; Xu, Gang; Li, Xiang; Shen, Ge [State Key Lab of Silicon Materials, Department of Material Science and Engineering, Cyrus Tang Center for Sensor Materials and Applications, Zhejiang University, Hangzhou 310027 (China); Han, Gaorong, E-mail: hgr@zju.edu.cn [State Key Lab of Silicon Materials, Department of Material Science and Engineering, Cyrus Tang Center for Sensor Materials and Applications, Zhejiang University, Hangzhou 310027 (China)

    2013-03-05

    Graphical abstract: One-dimensional single-crystal multiferroic composites composed of PbTiO{sub 3} nanofiber-CoFe{sub 2}O{sub 4} nanodot have been prepared for the first time by a facile in situ solid state sintering method. The composites demonstrate ferroelectricity and ferromagnetism as well as strong coupling between them. Highlights: ► 1D single-crystal multiferroic PTO-CFO was prepared via in situ solid state sintering method. ► A simple epitaxial growth relation has been found between the PTO–CFO composites. ► The composites reveal ferroelectricity and ferromagnetism as well as coupling between them. -- Abstract: One-dimensional single-crystal multiferroic composites consisting of PbTiO{sub 3} (PTO) nanofiber-CoFe{sub 2}O{sub 4} (CFO) nanodot were prepared using an in situ solid state sintering method, where pre-perovskite PTO nanofibers and CFO nanodots were used as precursors. Structural analyses by using transmission electron microscopy, scanning electron microscopy and X-ray diffraction determined a epitaxial growth relation between the PTO nanofiber and the CFO nanodot. Ferromagnetism and ferroelectricity of the nanofiber composites were investigated by using vibarting sample magnetometer (VSM) and piezoresponse force microscopy (PFM)

  12. Neutron transmission measurements of zinc and lead single crystals

    International Nuclear Information System (INIS)

    Adib, M.; Abdel-Kawy, A.

    1988-01-01

    Neutron transmission measurements of zinc and lead single crystals have been carried out in a neutron wavelength band from 0.03 to 0.55 nm at different orientations of the crystal with regard to the beam direction. The measurements were performed using both time-of-flight and fixed-angle scattering spectrometers installed in front of the ET-RR-1 reactor horizontal channels. It was found that the position of the observed dips in the neutron transmission measurements corresponded to the reflections from the (h k l) planes of the hexagonal zinc single crystal which was cut along the (0 0 2) plane, while in the case of lead, the single crystal was cut perpendicular to the (3 1 1) plane. The reflectivity from the (0 0 2) plane of zinc was determined using both transmission and reflection methods. The maximum reflectivity was found to be 55% when the zinc crystal was orientated at 45 0 to the beam direction. The wavelength spread of the observed reflectivity curve was found to be in agreement with the calculated one, taking into consideration the spectrometer's resolution and the crystal mosaic spread. (author)

  13. Preparation of a Non-Polar ZnO Film on a Single-Crystal NdGaO3 Substrate by the RF Sputtering Method

    Science.gov (United States)

    Kashiwaba, Y.; Tanaka, Y.; Sakuma, M.; Abe, T.; Imai, Y.; Kawasaki, K.; Nakagawa, A.; Niikura, I.; Kashiwaba, Y.; Osada, H.

    2018-04-01

    Preparation of non-polar ZnO ( 11\\overline{2} 0 ) films on single-crystal NdGaO3 (NGO) (001) substrates was successfully achieved by the radio frequency (RF) sputtering method. Orientation, deposition rate, and surface roughness of ZnO films strongly depend on the working pressure. Characteristics of ZnO films deposited on single-crystal NGO (001) substrates were compared with those of ZnO films deposited on single-crystal sapphire ( 01\\overline{1} 2 ) substrates. An x-ray diffraction peak of the ZnO ( 11\\overline{2} 0 ) plane was observed on ZnO films deposited on single-crystal NGO (001) substrates under working pressure of less than 0.5 Pa. On the other hand, uniaxially oriented ZnO ( 11\\overline{2} 0 ) films on single-crystal sapphire ( 01\\overline{1} 2 ) substrates were observed under working pressure of 0.1 Pa. The mechanism by which the diffraction angle of the ZnO ( 11\\overline{2} 0 ) plane on single-crystal NGO (001) substrates was shifted is discussed on the basis of anisotropic stress of lattice mismatch. The deposition rate of ZnO films decreased with an increase in working pressure, and the deposition rate on single-crystal NGO (001) substrates was larger than that on single-crystal sapphire ( 01\\overline{1} 2 ) substrates. Root mean square (RMS) roughness of ZnO films increased with an increase in working pressure, and RMS roughness of ZnO films on single-crystal NGO (001) substrates was smaller than that of ZnO films on single-crystal sapphire ( 01\\overline{1} 2 ) substrates even though the film thickness on single-crystal NGO (001) substrates was greater than that on sapphire substrates. It is thought that a single-crystal NGO (001) substrate is useful for deposition of non-polar ZnO ( 11\\overline{2} 0 ) films.

  14. Single crystal growth, electronic structure and optical properties of Cs2HgBr4

    Science.gov (United States)

    Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Shkumat, P. N.; Parasyuk, O. V.; Fedorchuk, A. O.; Khyzhun, O. Y.

    2015-10-01

    We report on successful synthesis of high-quality single crystal of cesium mercury tetrabromide, Cs2HgBr4, by using the vertical Bridgman-Stockbarger method as well as on studies of its electronic structure. For the Cs2HgBr4 crystal, we have recorded X-ray photoelectron spectra for both pristine and Ar+ ion-bombarded surfaces. Our data indicate that the Cs2HgBr4 single crystal surface is rather sensitive with respect to Ar+ ion-bombardment. In particular, such a treatment of the Cs2HgBr4 single crystal surface alters its elemental stoichiometry. To explore peculiarities of the energy distribution of total and partial densities of states within the valence band and the conduction band of Cs2HgBr4, we have made band-structure calculations based on density functional theory (DFT) employing the augmented plane wave+local orbitals (APW+lo) method as incorporated in the WIEN2k package. The APW+lo calculations allow for concluding that the Br 4p states make the major contributions in the upper portion of the valence band, while its lower portion is dominated by contributors of the Hg 5d and Cs 5p states. Further, the main contributors to the bottom of the conduction band of Cs2HgBr4 are the unoccupied Br p and Hg s states. In addition, main optical characteristics of Cs2HgBr4 such as dispersion of the absorption coefficient, real and imaginary parts of dielectric function, electron energy-loss spectrum, refractive index, extinction coefficient and optical reflectivity have been explored from the first-principles band-structure calculations.

  15. Radiation hardness of a single crystal CVD diamond detector for MeV energy protons

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Yuki, E-mail: y.sato@riken.jp [The Institute of Physical and Chemical Research (RIKEN), 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Shimaoka, Takehiro; Kaneko, Junichi H. [Graduate School of Engineering, Hokkaido University, N13, W8, Sapporo 060-8628 (Japan); Murakami, Hiroyuki [The Institute of Physical and Chemical Research (RIKEN), 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Isobe, Mitsutaka; Osakabe, Masaki [National Institute for Fusion Science, 322-6, Oroshi-cho Toki-city, Gifu 509-5292 (Japan); Tsubota, Masakatsu [Graduate School of Engineering, Hokkaido University, N13, W8, Sapporo 060-8628 (Japan); Ochiai, Kentaro [Fusion Research and Development Directorate, Japan Atomic Energy Agency, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Chayahara, Akiyoshi; Umezawa, Hitoshi; Shikata, Shinichi [National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan)

    2015-06-01

    We have fabricated a particle detector using single crystal diamond grown by chemical vapor deposition. The irradiation dose dependence of the output pulse height from the diamond detector was measured using 3 MeV protons. The pulse height of the output signals from the diamond detector decreases as the amount of irradiation increases at count rates of 1.6–8.9 kcps because of polarization effects inside the diamond crystal. The polarization effect can be cancelled by applying a reverse bias voltage, which restores the pulse heights. Additionally, the radiation hardness performance for MeV energy protons was compared with that of a silicon surface barrier detector.

  16. Influence of copper single crystal structures on the reflection of low energy hydrogen and helium ions

    International Nuclear Information System (INIS)

    Feijen, H.H.W.

    1975-01-01

    A theoretical basis for the 'wedge-focussing' phenomenon is outlined. Investigations have been made to check up to what extent proton reflection can be simulated by using H 2 + or H 3 + as incident ions and analysing the reflected protons. The results of an experimental study of the influence of surface semi-channels on the reflection of low energy ( + , H 2 + and He + ions from copper single crystals with attention to the wedge-focussing effect are presented (G.T.H.)

  17. Continuous wave ultraviolet radiation induced frustration of etching in lithium niobate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Mailis, S.; Riziotis, C.; Smith, P.G.R.; Scott, J.G.; Eason, R.W

    2003-02-15

    Illumination of the -z face of congruent lithium niobate single crystals with continuous wave (c.w.) ultraviolet (UV) laser radiation modifies the response of the surface to subsequent acid etching. A frequency doubled Ar{sup +} laser ({lambda}=244 nm) was used to illuminate the -z crystal face making it resistive to HF etching and thus transforming the illuminated tracks into ridge structures. This process enables the fabrication of relief patterns in a photolithographic manner. Spatially resolved Raman spectroscopy indicates preservation of the good crystal quality after irradiation.

  18. Matrix-controlled morphology evolution of Te inclusions in CdZnTe single crystal

    International Nuclear Information System (INIS)

    He, Yihui; Jie, Wanqi; Xu, Yadong; Wang, Tao; Zha, Gangqiang; Yu, Pengfei; Zheng, Xin; Zhou, Yan; Liu, Hang

    2012-01-01

    The fine morphologies of microscale Te inclusions in CdZnTe single crystal were investigated to reveal their shape evolution. Such inclusions from crystal ingots with different post-growth cooling rates were analyzed using scanning electron microscopy after surface treatment. A tetrakaidecahedron model embodying {1 0 0} and {1 1 1} matrix facets was developed to interpret the form of the Te inclusions. An entire shape evolution process was also proposed where the final configuration of the Te inclusions was a tetrahedron comprising {1 1 1}B facets.

  19. Anomalous effect of high-frequency ultrasound on radiation diffraction in deformed single crystals

    International Nuclear Information System (INIS)

    Iolin, E.M.; Rajtman, Eh.A.; Kuvaldin, B.V.; Zolotoyabko, Eh.V.

    1988-01-01

    Results are presented of a theoretical and experimental study of neutron and X-ray diffraction in defromed single crystals on high-frequency ultrasonic excitation. It is demonstrated theoretically that at a frequency exceeding a certain threshold value the ultrasound violates the adiabatic conditions for the excitation point motion on the dispersion surface branches. This leads to an anomalous (compared to diffraction for a perfect crystal) dependence of the diffraction intensity on the ultrasonic wave amplitude. The experimental data for Si crystals are in good agreement with the theoretical predictions

  20. Conversion of alkyl radicals to allyl radicals in irradiated single crystal mats of polyethylene

    International Nuclear Information System (INIS)

    Fujimura, T.; Hayakawa, N.; Kuriyama, I.

    1978-01-01

    The decay of alkyl radicals, the conversion of alkyl radicals to allyl radicals and the trapping of allyl radicals in irradiated single crystal mats of polyethylene have been studied by electron spin resonance (e.s.r.). It has been suggested that in the crystal core alkyl radicals react with trans-vinylene double bonds and are converted into trans-vinylene allyl radicals; at the crystal surface, alkyl radicals react with vinyl end groups and are converted into allyl radicals with vinyl end groups. The decay of radical pairs and the formation of trans-vinylene double bonds are discussed. (author)

  1. Diamond turning of small Fresnel lens array in single crystal InSb

    International Nuclear Information System (INIS)

    Jasinevicius, R G; Duduch, J G; Cirino, G A; Pizani, P S

    2013-01-01

    A small Fresnel lens array was diamond turned in a single crystal (0 0 1) InSb wafer using a half-radius negative rake angle (−25°) single-point diamond tool. The machined array consisted of three concave Fresnel lenses cut under different machining sequences. The Fresnel lens profiles were designed to operate in the paraxial domain having a quadratic phase distribution. The sample was examined by scanning electron microscopy and an optical profilometer. Optical profilometry was also used to measure the surface roughness of the machined surface. Ductile ribbon-like chips were observed on the cutting tool rake face. No signs of cutting edge wear was observed on the diamond tool. The machined surface presented an amorphous phase probed by micro Raman spectroscopy. A successful heat treatment of annealing was carried out to recover the crystalline phase on the machined surface. The results indicated that it is possible to perform a ‘mechanical lithography’ process in single crystal semiconductors. (paper)

  2. Photoluminescence and lasing properties of MAPbBr3 single crystals grown from solution

    Science.gov (United States)

    Aryal, Sandip; Lafalce, Evan; Zhang, Chuang; Zhai, Yaxin; Vardeny, Z. Valy

    Recent studies of solution-grown single crystals of inorganic-organic hybrid lead-trihalide perovskites have suggested that surface traps may play a significant role in their photophysics. We study electron-hole recombination in single crystal MAPbBr3 through such trap states using cw photoluminescence (PL) and ps transient photoinduced absorption (PA) spectroscopies. By varying the depth of the collecting optics we examined the contributions from surface and bulk radiative recombination. We found a surface dominated PL band at the band-edge that is similar to that observed from polycrystalline thin films, as well as a weaker red-shifted emission band that originates from the bulk crystal. The two PL bands are distinguished in their temperature, excitation intensity and polarization dependencies, as well as their ps dynamics. Additionally, amplified spontaneous emission and crystal-related cavity lasing modes were observed in the same spectral range as the PL band assigned to the surface recombination. This work was funded by AFOSR through MURI Grant RA 9550-14-1-0037.

  3. van der Waals epitaxy of SnS film on single crystal graphene buffer layer on amorphous SiO2/Si

    Science.gov (United States)

    Xiang, Yu; Yang, Yunbo; Guo, Fawen; Sun, Xin; Lu, Zonghuan; Mohanty, Dibyajyoti; Bhat, Ishwara; Washington, Morris; Lu, Toh-Ming; Wang, Gwo-Ching

    2018-03-01

    Conventional hetero-epitaxial films are typically grown on lattice and symmetry matched single crystal substrates. We demonstrated the epitaxial growth of orthorhombic SnS film (∼500 nm thick) on single crystal, monolayer graphene that was transferred on the amorphous SiO2/Si substrate. Using X-ray pole figure analysis we examined the structure, quality and epitaxy relationship of the SnS film grown on the single crystal graphene and compared it with the SnS film grown on commercial polycrystalline graphene. We showed that the SnS films grown on both single crystal and polycrystalline graphene have two sets of orientation domains. However, the crystallinity and grain size of the SnS film improve when grown on the single crystal graphene. Reflection high-energy electron diffraction measurements show that the near surface texture has more phases as compared with that of the entire film. The surface texture of a film will influence the growth and quality of film grown on top of it as well as the interface formed. Our result offers an alternative approach to grow a hetero-epitaxial film on an amorphous substrate through a single crystal graphene buffer layer. This strategy of growing high quality epitaxial thin film has potential applications in optoelectronics.

  4. Evaluation of single crystal coefficients from mechanical and x-ray elastic constants of the polycrystal

    International Nuclear Information System (INIS)

    Hauk, V.; Kockelmann, H.

    1979-01-01

    Methods of calculation are developed for determination of single crystal elastic compliance or stiffness constants of cubic and hexagonal materials from mechanical and X-ray elastic constants of polycrystals. The calculations are applied to pure, cubic iron and hexagonal WC. There are no single crystal constants in the literature for WC, because no single crystals suitable for measurement are available. (orig.) [de

  5. Surface and interface electronic structure: Three year activity report

    International Nuclear Information System (INIS)

    Kevan, S.D.

    1992-01-01

    The 3-year activity report covers surface structure and phonon anomalies (surface reconstruction on W(001) and Mo(001), adsorbate lateral ordering, surface Fermi contours and phonon anomalies on Pt(111) and Pd(001)), adsorbate vibrational damping, charge transfer in momentum space: W(011)-K, surface states and resonances (relativistic effects ampersand computations, surface resonances)

  6. On the tungsten single crystal coatings achieved by chemical vapor transportation deposition

    Energy Technology Data Exchange (ETDEWEB)

    Shi, J.Q.; Shen, Y.B.; Yao, S.Y.; Zhang, P.J.; Zhou, Q.; Guo, Y.Z. [School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China); Tan, C.W., E-mail: tanchengwen@bit.edu.cn [School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China); China Astronaut Research and Training Center, Beijing 100094 (China); Yu, X.D. [School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China); China Astronaut Research and Training Center, Beijing 100094 (China); Nie, Z.H. [School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China); Ma, H.L. [China Astronaut Research and Training Center, Beijing 100094 (China); Cai, H.N. [School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China)

    2016-12-15

    The tungsten single crystal has many excellent properties, namely a high melting point, high anti-creeping strength. Chemical vapor transportation deposition (CVTD) is a possible approach to achieve large-sized W single crystals for high-temperature application such as the cathode of a thermionic energy converter. In this work, CVTD W coatings were deposited on the monocrystalline molybdenum substrate (a tube with < 111 > axial crystalline orientation) using WCl{sub 6} as a transport medium. The microstructures of the coatings were investigated by a scanning electron microscope (SEM) and electron backscatter diffraction (EBSD). The as-deposited coatings are hexagonal prisms—rough surfaces perpendicular to < 110 > with alternating hill-like bulges and pits at the side edges of the prisms, and flat surfaces perpendicular to < 112 > with arc-shaped terraces at the side faces. This can be explained by two-dimensional nucleation -mediated lateral growth model. Some parts of the coatings contain hillocks of an exotic morphology (noted as “abnormal growth”). The authors hypothesize that the abnormal growth is likely caused by the defects of the Mo substrate, which facilitate W nucleation sites, cause orientation difference, and may even form boundaries in the coatings. A dislocation density of 10{sup 6} to 10{sup 7} (counts/cm{sup 2}) was revealed by an etch-pit method and synchrotron X-ray diffraction. As the depositing temperature rises, the dislocation density decreases, and no sub-boundaries are found on samples deposited over 1300 °C, as a result of atom diffusion and dislocation climbing. - Highlights: •The varied growth rate causes the different morphologies of different planes. •The W coating is a single crystal when only single hillocks appear. •The (110) plane tends to have the lowest dislocation density. •The dislocation density tends to decrease as the temperature increases.

  7. On the tungsten single crystal coatings achieved by chemical vapor transportation deposition

    International Nuclear Information System (INIS)

    Shi, J.Q.; Shen, Y.B.; Yao, S.Y.; Zhang, P.J.; Zhou, Q.; Guo, Y.Z.; Tan, C.W.; Yu, X.D.; Nie, Z.H.; Ma, H.L.; Cai, H.N.

    2016-01-01

    The tungsten single crystal has many excellent properties, namely a high melting point, high anti-creeping strength. Chemical vapor transportation deposition (CVTD) is a possible approach to achieve large-sized W single crystals for high-temperature application such as the cathode of a thermionic energy converter. In this work, CVTD W coatings were deposited on the monocrystalline molybdenum substrate (a tube with < 111 > axial crystalline orientation) using WCl 6 as a transport medium. The microstructures of the coatings were investigated by a scanning electron microscope (SEM) and electron backscatter diffraction (EBSD). The as-deposited coatings are hexagonal prisms—rough surfaces perpendicular to < 110 > with alternating hill-like bulges and pits at the side edges of the prisms, and flat surfaces perpendicular to < 112 > with arc-shaped terraces at the side faces. This can be explained by two-dimensional nucleation -mediated lateral growth model. Some parts of the coatings contain hillocks of an exotic morphology (noted as “abnormal growth”). The authors hypothesize that the abnormal growth is likely caused by the defects of the Mo substrate, which facilitate W nucleation sites, cause orientation difference, and may even form boundaries in the coatings. A dislocation density of 10 6 to 10 7 (counts/cm 2 ) was revealed by an etch-pit method and synchrotron X-ray diffraction. As the depositing temperature rises, the dislocation density decreases, and no sub-boundaries are found on samples deposited over 1300 °C, as a result of atom diffusion and dislocation climbing. - Highlights: •The varied growth rate causes the different morphologies of different planes. •The W coating is a single crystal when only single hillocks appear. •The (110) plane tends to have the lowest dislocation density. •The dislocation density tends to decrease as the temperature increases.

  8. Studies of the surface structures of molecular crystals and of adsorbed molecular monolayers on the (111) crystal faces of platinum and silver by low-energy electron diffraction

    International Nuclear Information System (INIS)

    Firment, L.E.

    1977-01-01

    The structures of molecular crystal surfaces were investigated for the first time by the use of low-energy electron diffraction (LEED). The experimental results from a variety of molecular crystals were examined and compared as a first step towards understanding the properties of these surfaces on a microscopic level. The method of sample preparation employed, vapor deposition onto metal single-crystal substrates at low temperatures in ultrahigh vacuum, allowed concurrent study of the structures of adsorbed monolayers on metal surfaces and of the growth processes of molecular films on metal substrates. The systems investigated were ice, ammonia, naphthalene, benzene, the n-paraffins (C 3 to C 8 ), cyclohexane, trioxane, acetic acid, propionic acid, methanol, and methylamine adsorbed and condensed on both Pt(111) and Ag(111) surfaces. Electron-beam-induced damage of the molecular surfaces was observed after electron exposures of 10 -4 A sec cm -2 at 20 eV. Aromatic molecular crystal samples were more resistant to damage than samples of saturated molecules. The quality and orientation of the grown molecular crystal films were influenced by substrate preparation and growth conditions. Forty ordered monolayer structures were observed. 110 figures, 22 tables, 162 references

  9. Analysis on the anisotropic electromechanical properties of lead magnoniobate titanate single crystal for ring type ultrasonic motors

    Directory of Open Access Journals (Sweden)

    Xiang Shi

    2016-11-01

    Full Text Available This work discussed the optimized cut of single crystal lead magnoniobate titanate (PMNT for use of ring type travelling wave ultrasonic motors (USMs, according to anisotropic analysis on electromechanical properties. The selection criterion of crystal orientation relies on the circular uniformity of the induced travelling wave amplitude on the stator surface. By calculating the equivalent elastic coefficient c11 and lateral piezoelectric constant d31, the optimal crystal orientations were proposed for PMNT single crystals poled along different directions. For single crystal poled along c directions, the optimal orientation lies along [001]c with d31=-1335pC/N and k31=0.87. The crystallographic orientation [025]c is the optimized orientation for single crystals poled along c direction with d31=199pC/N and k31=0.55. The optimal orientation of 1R configuration is [332¯]c with a large enhancement of d31 = 1201 and k31=0.92.

  10. Magnetic order of Nd5Pb3 single crystals

    Science.gov (United States)

    Yan, J.-Q.; Ochi, M.; Cao, H. B.; Saparov, B.; Cheng, J.-G.; Uwatoko, Y.; Arita, R.; Sales, B. C.; Mandrus, D. G.

    2018-04-01

    We report millimeter-sized Nd5Pb3 single crystals grown out of a Nd-Co flux. We experimentally study the magnetic order of Nd5Pb3 single crystals by measuring the anisotropic magnetic properties, electrical resistivity under high pressure up to 8 GPa, specific heat, and neutron single crystal diffraction. Two successive magnetic orders are observed at T N1  =  44 K and T N2  =  8 K. The magnetic cells can be described with a propagation vector k=(0.5, 0, 0) . Cooling below T N1, Nd1 and Nd3 order forming ferromagnetic stripes along the b-axis, and the ferromagnetic stripes are coupled antiferromagnetically along the a-axis for the k=(0.5, 0, 0) magnetic domain. Cooling below T N2, Nd2 orders antiferromagnetically to nearby Nd3 ions. All ordered moments align along the crystallographic c-axis. The magnetic order at T N1 is accompanied by a quick drop of electrical resistivity upon cooling and a lambda-type anomaly in the temperature dependence of specific heat. At T N2, no anomaly was observed in electrical resistivity but there is a weak feature in specific heat. The resistivity measurements under hydrostatic pressures up to 8 GPa suggest a possible phase transition around 6 GPa. Our first-principles band structure calculations show that Nd5Pb3 has the same electronic structure as does Y5Si3 which has been reported to be a one-dimensional electride with anionic electrons that do not belong to any atom. Our study suggests that R 5Pb3 (R  =  rare earth) can be a materials playground for the study of magnetic electrides. This deserves further study after experimental confirmation of the presence of anionic electrons.

  11. Photoemission studies of clean and adsorbate covered metal surfaces using synchrotron and uv radiation sources

    International Nuclear Information System (INIS)

    Apai, G.R. II.

    1977-09-01

    Photoemission energy distribution experiments on clean metal and adsorbate-covered surfaces were performed under ultrahigh vacuum conditions by using x-ray and ultraviolet photon sources in the laboratory as well as continuously-tunable, highly polarized synchrotron radiation obtainable at the Stanford Synchrotron Radiation Laboratory (SSRL). Studies focused on two general areas: cross-section modulation in the photoemission process was studied as a function of photon energy and orbital composition. Sharp decreases in intensity of the valence bands of several transition metals (i.e., Ag, Au, and Pt) are attributed to the radial nodes in the respective wave functions. Adsorbate photoemission studies of CO adsorbed on platinum single crystals have demonstrated a very high spectral sensitivity to the 4sigma and (1π + 5sigma) peaks of CO at photon energies of 150 eV. Angle-resolved photoemission allowed determination of the orientation of CO chemisorbed on a Pt (111) or Ni(111) surface. Prelinimary results at high photon energies (approximately 150 eV) indicated scattering from the substrate which could yield chemisorption site geometries

  12. Infrared absorption in PbTe single crystals

    International Nuclear Information System (INIS)

    Kudykina, T.A.

    1982-01-01

    A group-theoretical analysis is conducted to select rules for optical transitions between bands in PbTe single crystals. It is shown that transitions between valence bands which are near a forbidden band are also forbidden. The extra absorption observed in p-PbTe and p-Pbsub(1-x)Snsub(x)Te in the region between the self-absorption edge and the free-carrier absorption edge is probably connected with transitions between one of valence bands and the p-state of the impurity

  13. Characteristics of trapped electrons and electron traps in single crystals

    International Nuclear Information System (INIS)

    Budzinski, E.E.; Potter, W.R.; Potienko, G.; Box, H.C.

    1979-01-01

    Two additional carbohydrates are reported whose crystal structures trap electrons intermolecularly in single crystals x irradiated at low temperature, namely sucrose and rhamnose. Five carbohydrate and polyhydroxy compounds are now known which exhibit this phenomenon. The following characteristics of the phenomenon were investigated: (1) the hyperfine couplings of the electron with protons of the polarized hydroxy groups forming the trap; (2) the distances between these protons and the trapped electron; (3) the spin density of the electron at the protons and (4) the relative stabilities of the electron trapped in various crystal structures

  14. Pyroelectric effect in tryglicyne sulphate single crystals - Differential measurement method

    Science.gov (United States)

    Trybus, M.

    2018-06-01

    A simple mathematical model of the pyroelectric phenomenon was used to explain the electric response of the TGS (triglycine sulphate) samples in the linear heating process in ferroelectric and paraelectric phases. Experimental verification of mathematical model was realized. TGS single crystals were grown and four electrode samples were fabricated. Differential measurements of the pyroelectric response of two different regions of the samples were performed and the results were compared with data obtained from the model. Experimental results are in good agreement with model calculations.

  15. EPR studies of gamma-irradiated taurine single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Bulut, A. E-mail: abulut@samsun.omu.edu.tr; Karabulut, B.; Tapramaz, R.; Koeksal, F

    2000-04-01

    An EPR study of gamma-irradiated taurine [C{sub 2}H{sub 7}NO{sub 3}S] single crystal was carried out at room temperature. The EPR spectra were recorded in the three at mutually perpendicular planes. There are two magnetically distinct sites in monoclinic lattice. The principle values of g and hyperfine constants for both sites were calculated. The results have indicated the presence of {sup 32}SO{sup -}{sub 2} and {sup 33}SO{sup -}{sub 2} radicals. The hyperfine values of {sup 33}SO{sup -}{sub 2} radical were used to obtain O-S-O bond angle for both sites.

  16. Acquisition of Single Crystal Growth and Characterization Equipment. Final report

    International Nuclear Information System (INIS)

    Maple, M. Brian; Zocco, Diego A.

    2008-01-01

    Final Report for DOE Grant No. DE-FG02-04ER46178 'Acquisition of Single Crystal Growth and Characterization Equipment'. There is growing concern in the condensed matter community that the need for quality crystal growth and materials preparation laboratories is not being met in the United States. It has been suggested that there are too many researchers performing measurements on too few materials. As a result, many user facilities are not being used optimally. The number of proficient crystal growers is too small. In addition, insufficient attention is being paid to the enterprise of finding new and interesting materials, which is the driving force behind much of condensed matter research and, ultimately, technology. While a detailed assessment of this situation is clearly needed, enough evidence of a problem already exists to compel a general consensus that the situation must be addressed promptly. This final report describes the work carried out during the last four years in our group, in which a state-of-the-art single crystal growth and characterization facility was established for the study of novel oxides and intermetallic compounds of rare earth, actinide and transition metal elements. Research emphasis is on the physics of superconducting (SC), magnetic, heavy fermion (HF), non-Fermi liquid (NFL) and other types of strongly correlated electron phenomena in bulk single crystals. Properties of these materials are being studied as a function of concentration of chemical constituents, temperature, pressure, and magnetic field, which provide information about the electronic, lattice, and magnetic excitations at the root of various strongly correlated electron phenomena. Most importantly, the facility makes possible the investigation of material properties that can only be achieved in high quality bulk single crystals, including magnetic and transport phenomena, studies of the effects of disorder, properties in the clean limit, and spectroscopic and scattering

  17. EPR studies of gamma-irradiated taurine single crystals

    International Nuclear Information System (INIS)

    Bulut, A.; Karabulut, B.; Tapramaz, R.; Koeksal, F.

    2000-01-01

    An EPR study of gamma-irradiated taurine [C 2 H 7 NO 3 S] single crystal was carried out at room temperature. The EPR spectra were recorded in the three at mutually perpendicular planes. There are two magnetically distinct sites in monoclinic lattice. The principle values of g and hyperfine constants for both sites were calculated. The results have indicated the presence of 32 SO - 2 and 33 SO - 2 radicals. The hyperfine values of 33 SO - 2 radical were used to obtain O-S-O bond angle for both sites

  18. Lattice effects in HoVo3 single crystal

    International Nuclear Information System (INIS)

    Sikora, M.; Marquina, C.; Ibarra, M.R.; Nugroho, A.A.; Palstra, T.T.M.

    2007-01-01

    We report the study of lattice effects in the Mott insulator HoVO 3 performed by means of linear thermal expansion on a single crystal in the temperature range 10-290 K. The holmium orthovanadate HoVO 3 reveals gradual orbital ordering (OO) below T OO =200 K and orders antiferromagnetically at T N =113 K. A first-order structural phase transition takes place at T S ∼38 K, which is probably accompanied by change of the OO type and hence the type of antiferromagnetic spin ordering

  19. Radiation defects produced by neutron irradiation in germanium single crystals

    International Nuclear Information System (INIS)

    Fukuoka, Noboru; Honda, Makoto; Atobe, Kozo; Yamaji, Hiromichi; Ide, Mutsutoshi; Okada, Moritami.

    1992-01-01

    The nature of defects produced in germanium single crystals by neutron irradiation at 25 K was studied by measuring the electrical resistivity. It was found that two levels located at E c -0.06 eV and E c -0.13 eV were introduced in an arsenic-doped sample. Electron traps at E c -0.10eV were observed in an indium-doped sample. The change in electrical resistivity during irradiation was also studied. (author)

  20. Single crystal NMR studies of high temperature superconductors

    International Nuclear Information System (INIS)

    Pennington, C.H.; Durand, D.J.; Zax, D.B.; Slichter, C.P.; Rice, J.P.; Bukowski, E.D.; Ginsberg, D.M.

    1989-01-01

    The authors report Cu NMR studies in the normal state of a single crystal of the T/sub c/ = 90 K superconductor YBa 2 Cu 3 O/sub 7/minus/δ/. The authors have measured the magnetic shift tensor, the electric field gradient tensor, the nuclear spin-lattice relaxation rate tensor, and the time dependence and functional form of the transverse decay. From these data they obtain information about the charge state and magnetic state of the Cu atoms, and the existence and size of the electronic exchange coupling between spins of adjacent Cu atoms. 18 refs., 3 figs., 2 tabs

  1. Mechanical and optical nanodevices in single-crystal quartz

    Science.gov (United States)

    Sohn, Young-Ik; Miller, Rachel; Venkataraman, Vivek; Lončar, Marko

    2017-12-01

    Single-crystal α-quartz, one of the most widely used piezoelectric materials, has enabled a wide range of timing applications. Owing to the fact that an integrated thin-film based quartz platform is not available, most of these applications rely on macroscopic, bulk crystal-based devices. Here, we show that the Faraday cage angled-etching technique can be used to realize nanoscale electromechanical and photonic devices in quartz. Using this approach, we demonstrate quartz nanomechanical cantilevers and ring resonators featuring Qs of 4900 and 8900, respectively.

  2. Crystal structure and magnetic susceptibility of UOSe single crystals

    International Nuclear Information System (INIS)

    Kaczorowski, D.; Muenster Univ.; Poettgen, R.; Jeitschko, W.; Gajek, Z.; Zygmunt, A.

    1993-01-01

    The crystal structure and magnetic susceptibility behaviour of UOSe single crystals have been studied. UOSe crystalizes in the tetragonal PbFC1-type structure (space group P4/nmm) with the lattice parameters: a = 390.38(5) pm and c = 698.05(9) pm. It orders antiferromagnetically at T N =100±2 K and exhibits a very strong anisotropy in the susceptibility vs temperature variation. The magnetic and thermodynamic properties of UOSe are successfully interpreted in the framework of a perturbative ab initio crystal field approach. (Author)

  3. Crystal structure and magnetic susceptibility of UOSe single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kaczorowski, D. (Polish Academy of Sciences, Wroclaw (Poland). Inst. for Low Temperature and Structure Research Muenster Univ. (Germany). Anorganisch-Chemisches Inst.); Poettgen, R.; Jeitschko, W. (Muenster Univ. (Germany). Anorganisch-Chemisches Inst.); Gajek, Z.; Zygmunt, A. (Polish Academy of Sciences, Wroclaw (Poland). Inst. for Low Temperature and Structure Research)

    1993-01-01

    The crystal structure and magnetic susceptibility behaviour of UOSe single crystals have been studied. UOSe crystalizes in the tetragonal PbFC1-type structure (space group P4/nmm) with the lattice parameters: a = 390.38(5) pm and c = 698.05(9) pm. It orders antiferromagnetically at T[sub N]=100[+-]2 K and exhibits a very strong anisotropy in the susceptibility vs temperature variation. The magnetic and thermodynamic properties of UOSe are successfully interpreted in the framework of a perturbative ab initio crystal field approach. (Author).

  4. Nonstoichiometry and conductivity anisotropy of lead germanate single crystals

    International Nuclear Information System (INIS)

    Jermakov, O.S.; Duda, V.M.

    2010-01-01

    The conductivity of lead germanate single crystals with the stoichiometric composition, PbO deficiency, and PbO excess has been measured. A reduction of the PbO fraction in the initial blend leads to a considerable increase of the conductivity, because the fraction of lead ions which change their valency from Pb 2+ to Pb 3+ grows. The relative arrangement of lead ions, which are able to change their valency and trap holes, can be responsible for a significant anisotropy of conductivity.

  5. Laser induced single-crystal transition in polycrystalline silicon

    International Nuclear Information System (INIS)

    Vitali, G.; Bertolotti, M.; Foti, G.; Rimini, E.

    1978-01-01

    Transition to single crystal of polycrystalline Si material underlying a Si crystal substrate of 100 orientation was obtained via laser irradiation. The changes in the structure were analyzed by reflection high energy electron diffraction and by channeling effect technique using 2.0 MeV He Rutherford scattering. The power density required to induce the transition in a 4500 A thick polycrystalline layer is about 70 MW/cm 2 (50ns). The corresponding amorphous to single transition has a threshold of about 45 MW/cm 2 . (orig.) 891 HPOE [de

  6. Magnetic anisotropy of YNi2B2C single crystals

    International Nuclear Information System (INIS)

    Baran, M.; Gladczuk, L.; Gorecka, J.; Szymczak, H.; Szymczak, R.; Drzazga, Z.; Winiarska, H.

    1994-01-01

    Reversible and irreversible magnetization processes in YNi 2 B 2 C single crystal have been measured and analysed in terms of existing theories. Performed measurements suggest that anisotropy of the effective mass in YNi 2 B 2 C superconductor is rather small and similar to that observed in conventional superconductors. Effect of hydrostatic pressure on T c is shown to be typical of low-temperature superconductors. It is suggested that the layered structure of YNi 2 B 2 C has some effect on the irreversible magnetization processes observed in this superconductor. ((orig.))

  7. Modifications of gallium phosphide single crystals using slow highly charged ions and swift heavy ions

    Energy Technology Data Exchange (ETDEWEB)

    El-Said, A.S., E-mail: elsaid@kfupm.edu.sa [Physics Department, King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Wilhelm, R.A.; Heller, R.; Akhmadaliev, Sh.; Schumann, E. [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, 01328 Dresden (Germany); Sorokin, M. [National Research Centre ’Kurchatov Institute’, Kurchatov Square 1, 123182 Moscow (Russian Federation); Facsko, S. [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, 01328 Dresden (Germany); Trautmann, C. [GSI Helmholtz Centre for Heavy Ion Research, 64291 Darmstadt (Germany); Technische Universität Darmstadt, 64289 Darmstadt (Germany)

    2016-09-01

    GaP single crystals were irradiated with slow highly charged ions (HCI) using 114 keV {sup 129}Xe{sup (33–40)+} and with various swift heavy ions (SHI) of 30 MeV I{sup 9+} and 374 MeV–2.2 GeV {sup 197}Au{sup 25+}. The irradiated surfaces were investigated by scanning force microscopy (SFM). The irradiations with SHI lead to nanohillocks protruding from the GaP surfaces, whereas no changes of the surface topography were observed after the irradiation with HCI. This result indicates that a potential energy above 38.5 keV is required for surface nanostructuring of GaP. In addition, strong coloration of the GaP crystals was observed after irradiation with SHI. The effect was stronger for higher energies. This was confirmed by measuring an increased extinction coefficient in the visible light region.

  8. The effects of moisture on LiD single crystals studied by temperature-programmed decomposition

    International Nuclear Information System (INIS)

    Dinh, L.N.; Cecala, C.M.; Leckey, J.H.; Balooch, M.

    2001-01-01

    Temperature-programmed decomposition (TPD) technique was performed on LiOH powders and LiD single crystals previously exposed to different moisture levels. Our results show that the LiOH decomposition process is rate-limited by an inward moving reaction front mechanism with an activation energy barrier of ∼122-149 kJ/mol. The LiOH structure is stable even if kept at 320 K. However, LiOH structures formed on the surface of LiD single crystals during moisture exposure at low dosages may have multiple activation energy barriers, some of which may be much lower than 122 kJ/mol. The rate-limiting mechanism for the decomposition of LiOH structures with reduced activation energy barriers is consistent with a unimolecular nucleation model. We attribute the lowering of the activation energy barrier for the LiOH decomposition to the existence of sub-stoichiometric Li(OH) x with x 2 O formation is observed. The release of H 2 O molecules from LiOH · H 2 O structure has small activation energy barriers in the range of 48-69 kJ/mol and follows a unimolecular nucleation process. The loosely bonded H 2 O molecules in the LiOH · H 2 O structure can be easily pumped away at room temperature in a reasonable amount of time. Our experiments also suggest that handling LiD single crystals at an elevated temperature of 340 K or more reduces the growth rate of LiOH and LiOH · H 2 O significantly

  9. Growth of tourmaline single crystals containing transition metal elements in hydrothermal solutions

    Science.gov (United States)

    Setkova, Tatiana; Shapovalov, Yury; Balitsky, Vladimir

    2011-03-01

    Interest in the growth of tourmaline single crystals is based on the promising piezoelectric and pyroelectric properties of this material compared to quartz crystals currently in use. Moreover, synthetic tourmaline can be used as a substitute for the natural stone in the jewelry industry similar to other synthetic analogues of gemstones. Single crystals of colored Co-, Ni-, Fe-, (Ni,Cr)-, (Ni,Fe)-, and (Co,Ni,Cr)-containing tourmalines with concentration of transition metal elements up to 16 wt% on a seed have been grown from complex boron-containing hydrothermal solutions at a range of temperatures 400-750 °C and pressures 100 MPa. Experiments were conducted under conditions of a thermal gradient in titanium and chromium-nickel autoclaves. Tourmaline growth on a seed crystal occurs only if separate tourmaline-forming components (monocrystalline corundum and quartz bars) are used as charge. All tourmalines specified above grow in analogous (+) direction of the optical axis with a speed of 0.05 mm/day by faces of the trigonal pyramid, except tourmalines containing chromium. They grow in analogous (+0001) direction with a speed 0.05 mm/day, and in antilogous (-0001) direction with a speed of 0.01 mm/day by faces of the trigonal pyramid and in prism direction with a speed of 0.001 mm/day. Along with the large single crystals, a great amount of finest (30-150 μm in size) tourmaline crystals was formed during the runs by spontaneous nucleation both on the surface of the seed crystals and in the charge.

  10. Role of crystal orientation on chemical mechanical polishing of single crystal copper

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Aibin, E-mail: abzhu@mail.xjtu.edu.cn; He, Dayong; Luo, Wencheng; Liu, Yangyang

    2016-11-15

    Highlights: • The role of crystal orientation in cooper CMP by quasi-continuum was studied. • The atom displacement diagrams were obtained and analyzed. • The stress distribution diagrams and load-displacement curves were analyzed. • This research is helpful to revealing the material removal mechanism of CMP. - Abstract: The material removal mechanism of single crystal copper in chemical mechanical polishing (CMP) has not been intensively investigated. And the role of crystal orientation in CMP of single crystal cooper is not quite clear yet. Quasi-continuum method was adopted in this paper to simulate the process of nano-particles grinding on single crystal copper in CMP process. Three different crystal orientations, i.e. x[100]y[001], x[001]y[110] and x[–211]y[111], were chosen for analysis. The atom displacement diagrams, stress distribution diagrams and load-displacement curves were obtained. After analyzing the deformation mechanism, residual stress of the work piece material and cutting force, results showed that, the crystal orientation of work piece has great influence on the deformation characteristics and surface quality of work piece during polishing. In the A(001)[100] orientation, the residual stress distribution after polishing is deeper, and the stress is larger than that in the B(110)[001] and C(111)[–211] orientations. And the average tangential cutting force in the A(001)[100] orientation is much larger than those in the other two crystal orientation. This research is helpful to revealing the material removal mechanism of CMP process.

  11. Temperature dependent evolution of wrinkled single-crystal silicon ribbons on shape memory polymers.

    Science.gov (United States)

    Wang, Yu; Yu, Kai; Qi, H Jerry; Xiao, Jianliang

    2017-10-25

    Shape memory polymers (SMPs) can remember two or more distinct shapes, and thus can have a lot of potential applications. This paper presents combined experimental and theoretical studies on the wrinkling of single-crystal Si ribbons on SMPs and the temperature dependent evolution. Using the shape memory effect of heat responsive SMPs, this study provides a method to build wavy forms of single-crystal silicon thin films on top of SMP substrates. Silicon ribbons obtained from a Si-on-insulator (SOI) wafer are released and transferred onto the surface of programmed SMPs. Then such bilayer systems are recovered at different temperatures, yielding well-defined, wavy profiles of Si ribbons. The wavy profiles are shown to evolve with time, and the evolution behavior strongly depends on the recovery temperature. At relatively low recovery temperatures, both wrinkle wavelength and amplitude increase with time as evolution progresses. Finite element analysis (FEA) accounting for the thermomechanical behavior of SMPs is conducted to study the wrinkling of Si ribbons on SMPs, which shows good agreement with experiment. Merging of wrinkles is observed in FEA, which could explain the increase of wrinkle wavelength observed in the experiment. This study can have important implications for smart stretchable electronics, wrinkling mechanics, stimuli-responsive surface engineering, and advanced manufacturing.

  12. Synthesis and characterization of p-type boron-doped IIb diamond large single crystals

    International Nuclear Information System (INIS)

    Li Shang-Sheng; Li Xiao-Lei; Su Tai-Chao; Jia Xiao-Peng; Ma Hong-An; Huang Guo-Feng; Li Yong

    2011-01-01

    High-quality p-type boron-doped IIb diamond large single crystals are successfully synthesized by the temperature gradient method in a china-type cubic anvil high-pressure apparatus at about 5.5 GPa and 1600 K. The morphologies and surface textures of the synthetic diamond crystals with different boron additive quantities are characterized by using an optical microscope and a scanning electron microscope respectively. The impurities of nitrogen and boron in diamonds are detected by micro Fourier transform infrared technique. The electrical properties including resistivities, Hall coefficients, Hall mobilities and carrier densities of the synthesized samples are measured by a four-point probe and the Hall effect method. The results show that large p-type boron-doped diamond single crystals with few nitrogen impurities have been synthesized. With the increase of quantity of additive boron, some high-index crystal faces such as {113} gradually disappear, and some stripes and triangle pits occur on the crystal surface. This work is helpful for the further research and application of boron-doped semiconductor diamond. (cross-disciplinary physics and related areas of science and technology)

  13. Studies of Second Order Optical Nonlinearities of 4-Aminobenzophenone (ABP) Single Crystal Films

    Science.gov (United States)

    Bhowmik, Achintya; Thakur, Mrinal

    1998-03-01

    Specific organic materials exhibit very high second order optical susceptibilities. Growth of single crystal films of these materials and characterization of nonlinear optical properties are necessary for implementation of device applications. We have grown large-area films ( 1 cm^2 area, 4 μm thick) of ABP by a modification of the shear method. Single crystal nature of the films was confirmed by polarized optical microscopy. X-ray diffraction analysis showed a [100] surface orientation. The absorption spectra revealed transparency from 390 nm to 1940 nm. Significant elements of the second order optical susceptibility tensor were measured by detailed SHG experiments using a Nd:YAG laser (1064 nm, 100 ps, 82 MHz). Second-harmonic power was measured using lock-in detection with carefully selected polarization conditions while the film was rotated about the propagation direction. Using LiNbØas the reference, d-coefficients of ABP were found to be d_23=7.2 pm/V and d_22=0.7 pm/V. Type-I and type-II phase-matching directions were identified on the film by analyzing the optical indicatrix surfaces at fundamental and second-harmonic frequencies.

  14. Stacking fault tetrahedron induced plasticity in copper single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Liang, E-mail: lz592@uowmail.edu.au [School of Mechanical, Materials and Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522 (Australia); Lu, Cheng, E-mail: chenglu@uow.edu.au [School of Mechanical, Materials and Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522 (Australia); Tieu, Kiet; Su, Lihong; Zhao, Xing [School of Mechanical, Materials and Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522 (Australia); Pei, Linqing [Department of Mechanical Engineering, Chongqing University, Chongqing 400044 (China)

    2017-01-05

    Stacking fault tetrahedron (SFT) is the most common type of vacancy clustered defects in fcc metals and alloys, and can play an important role in the mechanical properties of metallic materials. In this study, molecular dynamics (MD) simulations were carried out to investigate the incipience of plasticity and the underlying atomic mechanisms in copper single crystals with SFT. Different deformation mechanisms of SFT were reported due to the crystal orientations and loading directions (compression and tension). The results showed that the incipient plasticity in crystals with SFT resulted from the heterogeneous dislocation nucleation from SFT, so the stress required for plastic deformation was less than that needed for perfect single crystals. Three crystal orientations ([1 0 0], [1 1 0] and [1 1 1]) were specified in this study because they can represent most of the typical deformation mechanisms of SFT. MD simulations revealed that the structural transformation of SFT was frequent under the applied loading; a metastable SFT structure and the collapse of SFT were usually observed. The structural transformation resulted in a different reduction of yield stress in compression and tension, and also caused a decreased or reversed compression/tension asymmetry. Compressive stress can result in the unfaulting of Frank loop in some crystal orientations. According to the elastic theory of dislocation, the process of unfaulting was closely related to the size of the dislocation loop and the stacking fault energy.

  15. Large single-crystal diamond substrates for ionizing radiation detection

    Energy Technology Data Exchange (ETDEWEB)

    Girolami, Marco; Bellucci, Alessandro; Calvani, Paolo; Trucchi, Daniele M. [Istituto di Struttura della Materia (ISM), Consiglio Nazionale delle Ricerche (CNR), Sede Secondaria di Montelibretti, Monterotondo Stazione, Roma (Italy)

    2016-10-15

    The need for large active volume detectors for ionizing radiations and particles, with both large area and thickness, is becoming more and more compelling in a wide range of applications, spanning from X-ray dosimetry to neutron spectroscopy. Recently, 8.0 x 8.0 mm{sup 2} wide and 1.2 mm thick single-crystal diamond plates have been put on the market, representing a first step to the fabrication of large area monolithic diamond detectors with optimized charge transport properties, obtainable up to now only with smaller samples. The more-than-double thickness, if compared to standard plates (typically 500 μm thick), demonstrated to be effective in improving the detector response to highly penetrating ionizing radiations, such as γ-rays. Here we report on the first measurements performed on large active volume single-crystal diamond plates, both in the dark and under irradiation with optical wavelengths (190-1100 nm), X-rays, and radioactive γ-emitting sources ({sup 57}Co and {sup 22}Na). (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. Chiral multichromic single crystals for optical devices (LDRD 99406).

    Energy Technology Data Exchange (ETDEWEB)

    Kemp, Richard Alan; Felix, Ana M. (University of New Mexico, Albuquerque, NM)

    2006-12-01

    This report summarizes our findings during the study of a novel system that yields multi-colored materials as products. This system is quite unusual as it leads to multi-chromic behavior in single crystals, where one would expect that only a single color would exist. We have speculated that these novel solids might play a role in materials applications such as non-linear optics, liquid crystal displays, piezoelectric devices, and other similar applications. The system examined consisted of a main-group alkyl compound (a p block element such as gallium or aluminum) complexed with various organic di-imines. The di-imines had substituents of two types--either alkyl or aromatic groups attached to the nitrogen atoms. We observed that single crystals, characterized by X-ray crystallography, were obtained in most cases. Our research during January-July, 2006, was geared towards understanding the factors leading to the multi-chromic nature of the complexes. The main possibilities put forth initially considered (a) the chiral nature of the main group metal, (b) possible reduction of the metal to a lower-valent, radical state, (c) the nature of the ligand(s) attached to the main group metal, and (d) possible degradation products of the ligand leading to highly-colored products. The work carried out indicates that the most likely explanation considered involves degradation of the aromatic ligands (a combination of (c) and (d)), as the experiments performed can clearly rule out (a) and (b).

  17. Plastic deformation of Ni3Nb single crystals

    International Nuclear Information System (INIS)

    Hagihara, Kouji; Nakano, Takayoshi; Umakoshi, Yukichi

    1999-01-01

    Temperature dependence of yield stress and operative slip system in Ni 3 Nb single crystals with the D0 a structure was investigated in comparison with that in an analogous L1 2 structure. Compression tests were performed at temperatures between 20 C and 1,200 C for specimens with loading axes perpendicular to (110), (331) and (270). (010)[100] slip was operative for three orientations, while (010)[001] slip for (331) and [211] twin for (270) orientations were observed, depending on deformation temperature. The critical resolved shear stress (CRSS) for the (010)[100] slip anomaly increased with increasing temperature showing a maximum peak between 400 C and 800 C depending on crystal orientation. The CRSS showed orientation dependence and no significant strain rate dependence in the temperature range for anomalous strengthening. The [100] dislocations with a screw character were aligned on the straight when the anomalous strengthening occurred. The anomalous strengthening mechanism for (010)[100] slip in Ni 3 Nb single crystals is discussed on the basis of a cross slip model which has been widely accepted for some L1 2 -type compounds

  18. Strength anomaly in B2 FeAl single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yoshimi, K.; Hanada, S.; Yoo, M.H. [Oak Ridge National Lab., TN (United States); Matsumoto, N. [Tohoku Univ. (Japan). Graduate School

    1994-12-31

    Strength and deformation microstructure of B2 Fe-39 and 48%Al single crystals (composition given in atomic percent), which were fully annealed to remove frozen-in vacancies, have been investigated at temperatures between room temperature and 1073K. The hardness of as-homogenized Fe-48Al is higher than that of as-homogenized Fe-39Al while after additional annealing at 698K the hardness of Fe-48Al becomes lower than that of Fe-39Al. Fe-39Al single crystals slowly cooled after homogenizing at a high temperature were deformed in compression as a function of temperature and crystal orientation. A peak of yield strength appears around 0.5T{sub m} (T{sub m} = melting temperature). The orientation dependence of the critical resolved shear stress does not obey Schmid`s law even at room temperature and is quite different from that of b.c.c. metals and B2 intermetallics at low temperatures. At the peak temperature slip transition from <111>-type to <001>-type is found to occur macroscopically and microscopically, while it is observed in TEM that some of the [111] dislocations decompose into [101] and [010] on the (1096I) plane below the peak temperature. The physical sources for the positive temperature dependence of yield stress of B2 FeAl are discussed based on the obtained results.

  19. Anisotropy of Single-Crystal Silicon in Nanometric Cutting.

    Science.gov (United States)

    Wang, Zhiguo; Chen, Jiaxuan; Wang, Guilian; Bai, Qingshun; Liang, Yingchun

    2017-12-01

    The anisotropy exhibited by single-crystal silicon in nanometric cutting is very significant. In order to profoundly understand the effect of crystal anisotropy on cutting behaviors, a large-scale molecular dynamics model was conducted to simulate the nanometric cutting of single-crystal silicon in the (100)[0-10], (100)[0-1-1], (110)[-110], (110)[00-1], (111)[-101], and (111)[-12-1] crystal directions in this study. The simulation results show the variations of different degrees in chip, subsurface damage, cutting force, and friction coefficient with changes in crystal plane and crystal direction. Shear deformation is the formation mechanism of subsurface damage, and the direction and complexity it forms are the primary causes that result in the anisotropy of subsurface damage. Structurally, chips could be classified into completely amorphous ones and incompletely amorphous ones containing a few crystallites. The formation mechanism of the former is high-pressure phase transformation, while the latter is obtained under the combined action of high-pressure phase transformation and cleavage. Based on an analysis of the material removal mode, it can be found that compared with the other crystal direction on the same crystal plane, the (100)[0-10], (110)[-110], and (111)[-101] directions are more suitable for ductile cutting.

  20. X-ray dosimetry of TlGaSe2 single crystals

    International Nuclear Information System (INIS)

    Kerimova, E.M.; Mustafaeva, S.N.; Mamedbeili, S.D.; Jabarov, J.N.; Iskenderova, P.M.; Kazimov, S.B.

    2002-01-01

    TlGaSe 2 compound belongs to group of layered semiconductors of A 3 B 3 C 2 6 -type. Photoelectric and optical properties of TlGaSe 2 single crystals were investigated in detail. Influence of gamma-, electron and neutron radiation on photoelectric properties of TlGaSe 2 single crystals is investigated too. The present work deals with experimental results relative to X-ray dosimetric characteristics of TlGaSe 2 crystals at 300 K. X-ray conductivity and X-ray dosimetric characteristic measurements are carried out in low load resistance regime. The source of X-ray radiation is the installation of X-ray diffraction analysis (URS-55a) with the BCV-2(Cu). Intensity of X-ray radiation (E) is regulated by measurement with current variation in tube at each given value of X-ray radiation dose E (R/min) are measured by crystal dosimeter DRGZ-02. X-ray conductivity coefficients K σ characterising X-ray sensitivity of investigated crystals are determined as the relative change of conductivity under X-ray radiation a per dose. There have been determined values of characteristic coefficients of TlGaSe 2 single crystal X-ray conductivity at different values of accelerating voltage (V a ) on the tube and corresponding doses of X-ray radiation. Analysis of obtained data showed that X-ray conductivity coefficients K σ in studied crystals are regularly decreased (from 0.276 to 0.033) as with the rise of dose (E=0.75-78.0 R/min) as with the increase of values of V a on X-ray tube (V a =254-50 keV). One of the possible reasons of observed regularities is that X-ray conductivity in investigated crystals, especially at comparatively low V a is due predominantly to radiation of thin layer of crystal. In this case with the rise of radiation intensity there have been started to prevail the mechanism of surface quadratic recombination which leads to observed decrease of X-ray conductivity. With the rise of accelerating potential 'effective hardness' is increased, as a result of which there

  1. Electrical resistivity anisotropy of osmium single crystals in the range 4,2 to 300 K

    International Nuclear Information System (INIS)

    Volkenshtejn, N.V.; Dyakina, V.P.; Dyakin, V.V.; Startsev, V.E.; Cherepanov, V.I.; Azhazha, V.M.; Kovtun, G.P.; Elenskij, V.A.; AN Ukrainskoj SSR, Kharkov. Fiziko-Tekhnicheskij Inst.)

    1981-01-01

    Electrical resistivity and size effect anisotropies of pure osmium single crystals with rhosub(273.2/rhosub(4.2)2600 were investigated in the temperature range 4.2 to 300 K. It is found that the electrical resistivity anisotropy (αT)=rhosub( )/rhosub( ) is less than unit and has a maximum at T approximately 50 K; the size effect anisotropy (rho1)sub( )/(rho1)sub( ) is 0.39+-0.07 at T=4.2 K; at liquid helium temperature, the dependence of thin samples is controlled by the scattering of conduction electrons by the surface of the sample. The results are discussed for the specific shape of the Fermi surface geometry of osmium with an account for the scattering processes of conduction electrons by phonons and by surface of the sample

  2. Facet Appearance on the Lateral Face of Sapphire Single-Crystal Fibers during LHPG Growth

    Directory of Open Access Journals (Sweden)

    Liudmila D. Iskhakova

    2016-08-01

    Full Text Available Results of the study of the lateral surface of single-crystal (SC sapphire fibers grown along crystallographic directions [ 0001 ] and [ 11 2 ¯ 0 ] by the LHPG method are presented. The appearance or absence of faceting of the lateral surface of the fibers depending on the growth direction is analyzed. The crystallographic orientation of the facets is investigated. The microstructure of the samples is investigated with the help of an optical microscope and a JSM-5910LV scanning electronic microscope (JEOL. The crystallographic orientations of the facets on the SC sapphire fiber surface are determined by electron backscatter diffraction (EBSD. The seed orientation is studied by means of XRD techniques.

  3. Reaction pathways of biomass-derived oxygenates on noble metal surfaces

    Science.gov (United States)

    McManus, Jesse R.

    As the global demand for energy continues to rise, the environmental concerns associated with increased fossil fuel consumption have motivated the use of biomass as an alternative, carbon-renewable energy feedstock. Controlling reactive chemistry of the sugars that comprise biomass through the use of catalysis becomes essential in effectively producing green fuels and value-added chemicals. Recent work on biomass conversion catalysts have demonstrated the efficacy of noble metal catalyst systems for the reforming of biomass to hydrogen fuel, and the hydrodeoxygenation of biomass-derived compounds to value-added chemicals. In particular, Pt and Pd surfaces have shown considerable promise as reforming catalysts in preliminary aqueous phase reforming studies. It becomes important to understand the mechanisms by which these molecules react on the catalyst surfaces in order to determine structure-activity relationships and bond scission energetics as to provide a framework for engineering more active and selective catalysts. Fundamental surface science techniques provide the tools to do this; however, work in this field has been so far limited to simple model molecules like ethanol and ethylene glycol. Herein, temperature programmed desorption and high resolution electron energy loss spectroscopy are utilized in an ultra-high vacuum surface science study of the biomass-derived sugar glucose on Pt and Pd single crystal catalysts. Overall, it was determined that the aldehyde function of a ring-open glucose molecule plays an integral part in the initial bonding and reforming reaction pathway, pointing to the use of aldoses glycolaldehyde and glyceraldehyde as the most appropriate model compounds for future studies. Furthermore, the addition of adatom Zn to a Pt(111) surface was found to significantly decrease the C-H and C-C bond scission activity in aldehyde containing compounds, resulting in a preferred deoxygenation pathway in opposition to the decarbonylation pathway

  4. Single-crystal and polycrystalline diamond erosion studies in Pilot-PSI

    Science.gov (United States)

    Kogut, D.; Aussems, D.; Ning, N.; Bystrov, K.; Gicquel, A.; Achard, J.; Brinza, O.; Addab, Y.; Martin, C.; Pardanaud, C.; Khrapak, S.; Cartry, G.

    2018-03-01

    Diamond is a promising candidate for enhancing the negative-ion surface production in the ion sources for neutral injection in fusion reactors; hence evaluation of its reactivity towards hydrogen plasma is of high importance. Single crystal and polycrystalline diamond samples were exposed in Pilot-PSI with the D+ flux of (4‒7)·1024 m-2s-1 and the impact energy of 7-9 eV per deuteron at different surface temperatures; under such conditions physical sputtering is negligible, however chemical sputtering is important. Net chemical sputtering yield Y = 9.7·10-3 at/ion at 800 °C was precisely measured ex-situ using a protective platinum mask (5 × 10 × 2 μm) deposited beforehand on a single crystal followed by the post-mortem analysis using Transmission Electron Microscopy (TEM). The structural properties of the exposed diamond surface were analyzed by Raman spectroscopy and X-ray Photoelectron Spectroscopy (XPS). Gross chemical sputtering yields were determined in-situ by means of optical emission spectroscopy of the molecular CH A-X band for several surface temperatures. A bell-shaped dependence of the erosion yield versus temperature between 400 °C and 1200 °C was observed, with a maximum yield of ∼1.5·10-2 at/ion attained at 900 °C. The yields obtained for diamond are relatively high (0.5-1.5)·10-2 at/ion, comparable with those of graphite. XPS analysis shows amorphization of diamond surface within 1 nm depth, in a good agreement with molecular dynamics (MD) simulation. MD was also applied to study the hydrogen impact energy threshold for erosion of [100] diamond surface at different temperatures.

  5. Ultrathin Pt films on Ni(111): Structure determined by surface x-ray diffraction

    International Nuclear Information System (INIS)

    Robach, O.; Isern, H.; Quiros, C.; Ferrer, S.; Steadman, P.; Peters, K. F.

    2003-01-01

    The growth of platinum on a nickel (111) single crystal under ultrahigh vacuum conditions was studied using surface x-ray diffraction on the ID03 beamline of the ESRF. Film thickness ranged from one to eight monoatomic layers (ML). Specular reflectivity was used to determine the growth mode and vertical lattice parameter of the Pt film. A two-dimensional (2D) growth up to 1 ML followed by more 3D growth was found. A small expansion of the Pt vertical lattice parameter was found. The Pt in-plane lattice parameter was measured. Its relaxation was found to be very slow, with a residual contraction of 2.3% in an 8-ML-thick film (with respect to bulk Pt). A Ni crystal truncation rod measured before and after growing 1 ML of Pt revealed the presence of a small amount of pseudomorphic Pt, adsorbed on both fcc and hcp sites. The stacking of the (111) Pt planes was investigated by measuring stacking-sensitive Pt diffraction rods. A strong tendency to stacking reversal was found at room temperature, with an amount of 'reversed' Pt about ten times higher than the amount of Pt with the same stacking as the Ni. An eight-layer Ni film on Pt(111) was also studied for comparison

  6. Strength and deformation of shocked diamond single crystals: Orientation dependence

    Science.gov (United States)

    Lang, J. M.; Winey, J. M.; Gupta, Y. M.

    2018-03-01

    Understanding and quantifying the strength or elastic limit of diamond single crystals is of considerable scientific and technological importance, and has been a subject of long standing theoretical and experimental interest. To examine the effect of crystalline anisotropy on strength and deformation of shocked diamond single crystals, plate impact experiments were conducted to measure wave profiles at various elastic impact stresses up to ˜120 GPa along [110] and [111] crystal orientations. Using laser interferometry, particle velocity histories and shock velocities in the diamond samples were measured and were compared with similar measurements published previously for shock compression along the [100] direction. Wave profiles for all three orientations showed large elastic wave amplitudes followed by time-dependent inelastic deformation. From the measured wave profiles, the elastic limits were determined under well characterized uniaxial strain loading conditions. The measured elastic wave amplitudes for the [110] and [111] orientations were lower for higher elastic impact stress (stress attained for an elastic diamond response), consistent with the result reported previously for [100] diamond. The maximum resolved shear stress (MRSS) on the {111}⟨110⟩ slip systems was determined for each orientation, revealing significant orientation dependence. The MRSS values for the [100] and [110] orientations (˜33 GPa) are 25%-30% of theoretical estimates; the MRSS value for the [111] orientation is significantly lower (˜23 GPa). Our results demonstrate that the MRSS depends strongly on the stress component normal to the {111} planes or the resolved normal stress (RNS), suggesting that the RNS plays a key role in inhibiting the onset of inelastic deformation. Lower elastic wave amplitudes at higher peak stress and the effect of the RNS are inconsistent with typical dislocation slip mechanisms of inelastic deformation, suggesting instead an inelastic response

  7. Coefficients of sliding friction of single crystals of high explosives under different rubbing conditions

    International Nuclear Information System (INIS)

    Wu, Y Q; Chaudhri, M Munawar

    2013-01-01

    The coefficients of sliding friction of single crystals of commonly used high explosives pentaerythritol tetranitrate (PETN), cyclotrimethylene trinitramine (RDX) and beta-cyclotetramethylene tetranitramine (β-HMX) under several rubbing configurations and at a relative sliding speed of 0.22 mm s -1 were measured. The sliding configurations were (1) crystal-polished steel pairs, (2) like-crystal pairs and (3) unlike-crystal pairs. For every rubbing configuration the friction force showed oscillations, which are thought to be caused by the formation and shearing of the adhesive junctions formed at the surface of the rubbing crystals. This shearing of the adhesive junctions led to the formation of microscopic and sub-microscopic particles, which were confirmed by an environmental scanning electron microscope study. For every rubbing configuration and for relatively high normal loads pressing the rubbing crystals together, the coefficient of friction was generally in the range 0.2-0.25 and it has been concluded that the coefficient of friction is controlled by the adhesion with almost negligible contribution from the ploughing component. From a knowledge of the coefficient of friction and the uniaxial yield stress values of single crystals of RDX and β-HMX, the shear strength of these crystals were determined to be ∼13.4 MPa and ∼16.8 MPa, respectively.

  8. X-ray beam monitor made by thin-film CVD single-crystal diamond.

    Science.gov (United States)

    Marinelli, Marco; Milani, E; Prestopino, G; Verona, C; Verona-Rinati, G; Angelone, M; Pillon, M; Kachkanov, V; Tartoni, N; Benetti, M; Cannatà, D; Di Pietrantonio, F

    2012-11-01

    A novel beam position monitor, operated at zero bias voltage, based on high-quality chemical-vapor-deposition single-crystal Schottky diamond for use under intense synchrotron X-ray beams was fabricated and tested. The total thickness of the diamond thin-film beam monitor is about 60 µm. The diamond beam monitor was inserted in the B16 beamline of the Diamond Light Source synchrotron in Harwell (UK). The device was characterized under monochromatic high-flux X-ray beams from 6 to 20 keV and a micro-focused 10 keV beam with a spot size of approximately 2 µm × 3 µm square. Time response, linearity and position sensitivity were investigated. Device response uniformity was measured by a raster scan of the diamond surface with the micro-focused beam. Transmissivity and spectral responsivity versus beam energy were also measured, showing excellent performance of the new thin-film single-crystal diamond beam monitor.

  9. Hybridized Phosphate with Ultrathin Nanoslices and Single Crystal Microplatelets for High Performance Supercapacitors

    Science.gov (United States)

    Zhao, Yufeng; Chen, Zhaoyang; Xiong, Ding-Bang; Qiao, Yuqing; Tang, Yongfu; Gao, Faming

    2016-01-01

    A novel hybridized phosphate is developed through a mild hydrothermal method to construct high performance asymmetric supercapacitor. Single layered (Ni,Co)3(PO4)2·8H2O nanoslices (∼1 nm) and single crystal (NH4)(Ni,Co)PO4·0.67H2O microplatelets are obtained through a template sacrificial method and dissolution recrystallization approach respectively in one step. This unique hybridized structure delivers a maximum specific capacitance of 1128 F g−1 at current density of 0.5 A g−1. The asymmetric supercapacitor (ASC) based on the hybrid exhibits a high energy density of 35.3 Wh kg−1 at low power density, and still holds 30.9 Wh kg−1 at 4400 W kg−1. Significantly, the ASC manifests very high cycling stability with 95.6% capacitance retention after 5000 cycles. Such excellent electrochemical performance could be attributed to the synergistic effect of the surface redox reaction from the ultrathin nanoslices and ion intercalation from the single crystal bulk structure. This material represents a novel kind of electrode material for the potential application in supercapacitors. PMID:26833204

  10. A High-Rate, Single-Crystal Model including Phase Transformations, Plastic Slip, and Twinning

    Energy Technology Data Exchange (ETDEWEB)

    Addessio, Francis L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Bronkhorst, Curt Allan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Bolme, Cynthia Anne [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Explosive Science and Shock Physics Division; Brown, Donald William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Cerreta, Ellen Kathleen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Lebensohn, Ricardo A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Lookman, Turab [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Luscher, Darby Jon [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Mayeur, Jason Rhea [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Morrow, Benjamin M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Rigg, Paulo A. [Washington State Univ., Pullman, WA (United States). Dept. of Physics. Inst. for Shock Physics

    2016-08-09

    An anisotropic, rate-­dependent, single-­crystal approach for modeling materials under the conditions of high strain rates and pressures is provided. The model includes the effects of large deformations, nonlinear elasticity, phase transformations, and plastic slip and twinning. It is envisioned that the model may be used to examine these coupled effects on the local deformation of materials that are subjected to ballistic impact or explosive loading. The model is formulated using a multiplicative decomposition of the deformation gradient. A plate impact experiment on a multi-­crystal sample of titanium was conducted. The particle velocities at the back surface of three crystal orientations relative to the direction of impact were measured. Molecular dynamics simulations were conducted to investigate the details of the high-­rate deformation and pursue issues related to the phase transformation for titanium. Simulations using the single crystal model were conducted and compared to the high-­rate experimental data for the impact loaded single crystals. The model was found to capture the features of the experiments.

  11. Defects of diamond single crystal grown under high temperature and high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Su, Qingcai, E-mail: suqc@sdu.edu.cn [Key Laboratory of Liquid Structure and Heredity of Materials (Ministry of Education), Shandong University, Jinan, P. R. China, 250061 (China); School of Materials Science and Engineering, Shandong University, Jinan, P. R. China, 250061 (China); Shandong Engineering Research Center for Superhard Materials, Zoucheng, P. R. China 273500 (China); Zhang, Jianhua [School of Mechanical Engineering, Shandong University, Jinan, P. R. China, 250061 (China); Li, Musen [Key Laboratory of Liquid Structure and Heredity of Materials (Ministry of Education), Shandong University, Jinan, P. R. China, 250061 (China); School of Materials Science and Engineering, Shandong University, Jinan, P. R. China, 250061 (China); Shandong Engineering Research Center for Superhard Materials, Zoucheng, P. R. China 273500 (China)

    2013-11-01

    The diamond single crystal, synthesized with Fe–Ni–C–B system of catalyst under high temperature and high pressure, had been observed by field emission scanning electron microscope and transmission electron microscope. The presence of a cellular structure suggested that the diamond grew from melted catalyst solution and there existed a zone of component supercooling zone in front of the solid–liquid interface. The main impurities in the diamond crystal was (FeNi){sub 23}C{sub 6}. The triangle screw pit revealed on the (111) plane was generated by the screw dislocation meeting the diamond (111) plane at the points of emergence of dislocations. A narrow twin plane was formed between the two (111) plane. - Highlights: • High pressure, high temperature synthesis of diamond single crystal. • Fe–Ni–C–B used as catalyst, graphite as carbon source. • The main impurity in the diamond crystal was (FeNi){sub 23}C{sub 6}. • Surface defects arose from screw dislocations and stacking faults.

  12. Electric field influence on exciton absorption of Er doped and undoped InSe single crystals

    International Nuclear Information System (INIS)

    Guerbulak, B; Kundakci, M; Ates, A; Yildirim, M

    2007-01-01

    Undoped InSe and Er doped InSe (InSe:Er) single crystals were grown by using the Stockbarger method. Ingots had no cracks and voids on the surface. The absorption measurements were carried out in InSe and InSe:Er samples for U=0 and U=30 V in the temperature range 10-320 K with a step of 10 K. Electric field effects on excitons are observed in InSe and InSe:Er single crystals. The absorption edge shifted towards longer wavelengths and decreased intensity in absorption spectra under an electric field E≅5.9 kV cm -1 . The applied electric field caused a shifting and a decreasing of intensity in the absorption spectra. The shifting of the absorption edge can be explained on the basis of the Franz-Keldysh effect (FKE) or thermal heating of the sample under the electric field. At 10 and 320 K, the first exciton energies for InSe were calculated as 1.336 and 1.291 eV for zero voltage and 1.331 and 1.280 eV for electric field and InSe:Er as 1.329 and 1.251 eV for zero voltage and 1.318 and 1.248 eV for electric field, respectively

  13. Measurement of positron reemission from thin single-crystal W(100) films

    International Nuclear Information System (INIS)

    Chen, D.M.; Lynn, K.G.; Pareja, R.; Nielsen, B.

    1985-01-01

    Epitaxial thin single-crystal (100) tungsten films 1000, 2500, and 5000 A thick have been fabricated by high-vacuum electron-beam evaporation. These films were subsequently used as thin-film moderators for the study of the positron-transmission-reemission process with a variable-energy (0--80 keV) monoenergetic positron beam in an ultrahigh-vacuum system. The films were shown to be routinely cleanable by heating first in oxygen (10 -6 Torr) and then in vacuum (10 -9 Torr). Transmission and back reemission of slow positrons from these surfaces was observed. The positron work function, phi/sub +/ has been determined to be approx. =3.0 eV ( +- 0.3 eV). The transmission slow positrons were emitted in a narrow cone with a full width at half maximum of approx. =30 0 consistent with the angular distribution of back-reemission positrons. The reemitted yields as a function of incident positron energy were found to be very different between forward reemission and back reemission. The maximum forward-reemission yields were 18% for 1000-A-thick W film and 12% for 2500-A-thick W film at 5 and 10 keV optimum incident positron energies, respectively. These results show that one can use thin single-crystal tungsten films as positron moderators or remoderators

  14. Evolution of stacking fault tetrahedral and work hardening effect in copper single crystals

    Science.gov (United States)

    Liu, Hai Tao; Zhu, Xiu Fu; Sun, Ya Zhou; Xie, Wen Kun

    2017-11-01

    Stacking fault tetrahedral (SFT), generated in machining of copper single crystal as one type of subsurface defects, has significant influence on the performance of workpiece. In this study, molecular dynamics (MD) simulation is used to investigate the evolution of stacking fault tetrahedral in nano-cutting of copper single crystal. The result shows that SFT is nucleated at the intersection of differently oriented stacking fault (SF) planes and SFT evolves from the preform only containing incomplete surfaces into a solid defect. The evolution of SFT contains several stress fluctuations until the complete formation. Nano-indentation simulation is then employed on the machined workpiece from nano-cutting, through which the interaction between SFT and later-formed dislocations in subsurface is studied. In the meanwhile, force-depth curves obtained from nano-indentation on pristine and machined workpieces are compared to analyze the mechanical properties. By simulation of nano-cutting and nano-indentation, it is verified that SFT is a reason of the work hardening effect.

  15. Epitaxial growth of AlN on single crystal Mo substrates

    International Nuclear Information System (INIS)

    Okamoto, Koichiro; Inoue, Shigeru; Nakano, Takayuki; Kim, Tae-Won; Oshima, Masaharu; Fujioka, Hiroshi

    2008-01-01

    We have grown AlN films on single-crystalline Mo(110), (100), and (111) substrates using a low temperature pulsed laser deposition (PLD) growth technique and investigated their structural properties. Although c-axis oriented AlN films grow on Mo(100), the films contain 30 o rotated domains due to the difference in the rotational symmetry between AlN(0001) and Mo(100). AlN films with only poor crystalline quality grow on Mo(111) substrates, probably due to the poor surface morphology and high reactivity of the substrates. On the other hand, single crystal AlN films grow epitaxially on Mo(110) substrates with an in-plane relationship of AlN[11-20] // Mo[001]. Reflection high-energy electron diffraction or electron backscattered diffraction analysis has revealed that neither in-plane 30 deg. rotated domains nor cubic phase domains exist in the AlN films. X-ray reflectivity measurements have revealed that the heterointerface between AlN and Mo prepared by PLD at 450 deg. C is quite abrupt. These results indicate that PLD epitaxial growth of AlN on single crystal Mo substrates is quite promising for the fabrication of future high frequency filter devices

  16. Epitaxial growth of AlN on single crystal Mo substrates

    Energy Technology Data Exchange (ETDEWEB)

    Okamoto, Koichiro; Inoue, Shigeru [Institute of Industrial Science, University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo, 153-8505 (Japan); Nakano, Takayuki; Kim, Tae-Won [Kanagawa Academy of Science and Technology (KAST) KSP east 301, 3-2-1 Sakado, Takatsu-ku, Kawasaki, Kanagawa, 213-0012 (Japan); Oshima, Masaharu [Department of Applied Chemistry, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo, 113-8656 (Japan); Fujioka, Hiroshi [Institute of Industrial Science, University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo, 153-8505 (Japan); Kanagawa Academy of Science and Technology (KAST) KSP east 301, 3-2-1 Sakado, Takatsu-ku, Kawasaki, Kanagawa, 213-0012 (Japan)], E-mail: hfujioka@iis.u-tokyo.ac.jp

    2008-06-02

    We have grown AlN films on single-crystalline Mo(110), (100), and (111) substrates using a low temperature pulsed laser deposition (PLD) growth technique and investigated their structural properties. Although c-axis oriented AlN films grow on Mo(100), the films contain 30{sup o} rotated domains due to the difference in the rotational symmetry between AlN(0001) and Mo(100). AlN films with only poor crystalline quality grow on Mo(111) substrates, probably due to the poor surface morphology and high reactivity of the substrates. On the other hand, single crystal AlN films grow epitaxially on Mo(110) substrates with an in-plane relationship of AlN[11-20] // Mo[001]. Reflection high-energy electron diffraction or electron backscattered diffraction analysis has revealed that neither in-plane 30 deg. rotated domains nor cubic phase domains exist in the AlN films. X-ray reflectivity measurements have revealed that the heterointerface between AlN and Mo prepared by PLD at 450 deg. C is quite abrupt. These results indicate that PLD epitaxial growth of AlN on single crystal Mo substrates is quite promising for the fabrication of future high frequency filter devices.

  17. Epitaxial Growth of Permalloy Thin Films on MgO Single-Crystal Substrates

    International Nuclear Information System (INIS)

    Ohtake, Mitsuru; Tanaka, Takahiro; Matsubara, Katsuki; Futamoto, Masaaki; Kirino, Fumiyoshi

    2011-01-01

    Permalloy (Py: Ni - 20 at. % Fe) thin films were prepared on MgO single-crystal substrates of (100), (110), and (111) orientations by molecular beam epitaxy. Py crystals consisting of fcc(100) and hcp(112-bar 0) orientations epitaxially nucleate on MgO(100) substrates. With increasing the substrate temperature, the volume ratio of fcc(100) to hcp(112-bar 0) crystal increases. The metastable hcp(112-bar 0) structure transforms into more stable fcc(110) structure with increasing the film thickness. Py(110) fcc single-crystal films are obtained on MgO(110) substrates, whereas Py films epitaxially grow on MgO(111) substrates with two types of fcc(111) variants whose orientations are rotated around the film normal by 180 deg. each other. X-ray diffraction analysis indicates that the out-of-plane and the in-plane lattice spacings of these fcc-Py films agree within ±0.4% with the values of bulk fcc-Py crystal, suggesting that the strains in the films are very small. High-resolution transmission electron microscopy shows that periodical misfit dislocations are preferentially introduced in the films around the Py/MgO(100) and the Py/MgO(110) interfaces to reduce the lattice mismatches. The magnetic properties are considered to be reflecting the magnetocrystalline anisotropies of bulk fcc-Py and/or metastable hcp-Py crystals and the shape anisotropy caused by the surface undulations.

  18. Epitaxial Growth of Permalloy Thin Films on MgO Single-Crystal Substrates

    Energy Technology Data Exchange (ETDEWEB)

    Ohtake, Mitsuru; Tanaka, Takahiro; Matsubara, Katsuki; Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi, E-mail: ohtake@futamoto.elect.chuo-u.ac.jp [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan)

    2011-07-06

    Permalloy (Py: Ni - 20 at. % Fe) thin films were prepared on MgO single-crystal substrates of (100), (110), and (111) orientations by molecular beam epitaxy. Py crystals consisting of fcc(100) and hcp(112-bar 0) orientations epitaxially nucleate on MgO(100) substrates. With increasing the substrate temperature, the volume ratio of fcc(100) to hcp(112-bar 0) crystal increases. The metastable hcp(112-bar 0) structure transforms into more stable fcc(110) structure with increasing the film thickness. Py(110){sub fcc} single-crystal films are obtained on MgO(110) substrates, whereas Py films epitaxially grow on MgO(111) substrates with two types of fcc(111) variants whose orientations are rotated around the film normal by 180 deg. each other. X-ray diffraction analysis indicates that the out-of-plane and the in-plane lattice spacings of these fcc-Py films agree within {+-}0.4% with the values of bulk fcc-Py crystal, suggesting that the strains in the films are very small. High-resolution transmission electron microscopy shows that periodical misfit dislocations are preferentially introduced in the films around the Py/MgO(100) and the Py/MgO(110) interfaces to reduce the lattice mismatches. The magnetic properties are considered to be reflecting the magnetocrystalline anisotropies of bulk fcc-Py and/or metastable hcp-Py crystals and the shape anisotropy caused by the surface undulations.

  19. The thickness of native oxides on aluminum alloys and single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Evertsson, J., E-mail: jonas.evertsson@sljus.lu.se [Division of Synchrotron Radiation Research, Lund University, Box 118, 221 00 Lund (Sweden); Bertram, F. [Division of Synchrotron Radiation Research, Lund University, Box 118, 221 00 Lund (Sweden); Zhang, F. [KTH Royal Institute of Technology, Department of Chemistry, Division of Surface and Corrosion Science, Drottning Kristinas Vg 51, 100 44 Stockholm (Sweden); Rullik, L.; Merte, L.R.; Shipilin, M. [Division of Synchrotron Radiation Research, Lund University, Box 118, 221 00 Lund (Sweden); Soldemo, M.; Ahmadi, S. [KTH Royal Institute of Technology, ICT, Material Physics, 16440 Kista (Sweden); Vinogradov, N.; Carlà, F. [ESRF, B.P. 220, 38043 Grenoble (France); Weissenrieder, J.; Göthelid, M. [KTH Royal Institute of Technology, ICT, Material Physics, 16440 Kista (Sweden); Pan, J. [KTH Royal Institute of Technology, Department of Chemistry, Division of Surface and Corrosion Science, Drottning Kristinas Vg 51, 100 44 Stockholm (Sweden); Mikkelsen, A. [Division of Synchrotron Radiation Research, Lund University, Box 118, 221 00 Lund (Sweden); Nilsson, J.-O. [Sapa Technology, Kanalgatan 1, 612 31 Finspång (Sweden); Lundgren, E. [Division of Synchrotron Radiation Research, Lund University, Box 118, 221 00 Lund (Sweden)

    2015-09-15

    Highlights: • We have determined the native oxide film thickness on several Al samples. • The results obtained from XRR and XPS show excellent agreement. • The results obtained from EIS show consistently thinner oxide films. • The oxides on the alloys are thicker than the oxides on the single crystals. - Abstract: We present results from measurements of the native oxide film thickness on four different industrial aluminum alloys and three different aluminum single crystals. The thicknesses were determined using X-ray reflectivity, X-ray photoelectron spectroscopy, and electrochemical impedance spectroscopy. In addition, atomic force microscopy was used for micro-structural studies of the oxide surfaces. The reflectivity measurements were performed in ultra-high vacuum, vacuum, ambient, nitrogen and liquid water conditions. The results obtained using X-ray reflectivity and X-ray photoelectron spectroscopy demonstrate good agreement. However, the oxide thicknesses determined from the electrochemical impedance spectroscopy show a larger discrepancy from the above two methods. In the present contribution the reasons for this discrepancy are discussed. We also address the effect of the substrate type and the presence of water on the resultant oxide thickness.

  20. Polarised IR-microscope spectra of guanidinium hydrogensulphate single crystal.

    Science.gov (United States)

    Drozd, M; Baran, J

    2006-07-01

    Polarised IR-microscope spectra of C(NH(2))(3)*HSO(4) small single crystal samples were measured at room temperature. The spectra are discussed on the basis of oriented gas model approximation and group theory. The stretching nuOH vibration of the hydrogen bond with the Ocdots, three dots, centeredO distance of 2.603A gives characteristic broad AB-type absorption in the IR spectra. The changes of intensity of the AB bands in function of polariser angle are described. Detailed assignments for bands derived from stretching and bending modes of sulphate anions and guanidinium cations were performed. The observed intensities of these bands in polarised infrared spectra were correlated with theoretical calculation of directional cosines of selected transition dipole moments for investigated crystal. The vibrational studies seem to be helpful in understanding of physical and chemical properties of described compound and also in design of new complexes with exactly defined behaviors.

  1. Polarized IR-microscope spectra of guanidinium hydrogenselenate single crystal.

    Science.gov (United States)

    Drozd, M; Baran, J

    2005-10-01

    The polarized IR-microscope spectra of C(NH2)3.HSeO4 small single crystal samples were measured at room temperature. The spectra are discussed with the framework of oriented gas model approximation and group theory. The stretching nuOH vibration of the hydrogen bond with the O...O distance of 2.616 A gives characteristic broad AB-type absorption in the IR spectra. The changes of intensity of the AB bands in function of polarizer angle are described. Detailed assignment for bands derived from stretching and bending modes of selenate anions and guanidinium cations were performed. The observed intensities of these bands in polarized infrared spectra were correlated with theoretical calculation of directional cosines of selected transition dipole moments for investigated crystal. The vibrational studies seem to be helpful in understanding of physical and chemical properties of described compound and also in design of new complexes with exactly defined behaviors.

  2. Mesoporous zeolite and zeotype single crystals synthesized in fluoride media

    DEFF Research Database (Denmark)

    Egeblad, Kresten; Kustova, Marina; Klitgaard, Søren Kegnæs

    2007-01-01

    We report the synthesis and characterization of a series of new mesoporous zeolite and zeotype materials made available by combining new and improved procedures for directly introducing carbon into reaction mixtures with the fluoride route for conventional zeolite synthesis. The mesoporous...... materials were all prepared by hydrothermal crystallization of gels adsorbed on carbon matrices which were subsequently removed by combustion. The procedures presented here resulted in mesoporous zeolite and zeotypes materials with MFI, MEL, BEA, AFI and CHA framework structures. All samples were...... characterized by XRPD, SEM, TEM and N-2 physisorption measurements. For the zeolite materials it A as found that mesoporous MFI and MEL structured single crystals could indeed be crystallized from fluoride media using an improved carbon-templating approach. More importantly, it was found that mesoporous BEA...

  3. Twinning structures in near-stoichiometric lithium niobate single crystals

    International Nuclear Information System (INIS)

    Yao, Shuhua; Chen, Yanfeng

    2010-01-01

    A near-stoichiometric lithium niobate single crystal has been grown by the Czochralski method in a hanging double crucible with a continuous powder supply system. Twins were found at one of the three characteristic growth ridges of the as-grown crystal. The twin structure was observed and analyzed by transmission synchrotron topography. The image shifts ΔX and ΔY in the transmission synchrotron topograph were calculated for the 3 anti 2 anti 12 and 0 anti 222 reflections based on results from high-resolution X-ray diffractometry. It is confirmed that one of the {01 anti 1 anti 2} m planes is the composition face of the twin and matrix crystals. The formation mechanism of these twins is discussed. (orig.)

  4. Giant negative photoresistance of ZnO single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Barzola-Quiquia, Jose; Esquinazi, Pablo [Division of Superconductivity and Magnetism, University of Leipzig (Germany); Heluani, Silvia [Laboratorio de Fisica del Solido, FCEyT, Universidad Nacional de Tucuman, 4000 S. M. de Tucuman (Argentina); Villafuerte, Manuel [Dept. de Fisica, FCEyT, Universidad Nacional de Tucuman (Argentina); CONICET, Tucuman (Argentina); Poeppl, Andreas [Division of Magnetic Resonance of Complex Quantum Solids, University of Leipzig, D-04103 Leipzig (Germany)

    2011-07-01

    ZnO is a wide band gap semiconductor exhibiting the largest charge-carrier mobility among oxides. ZnO is a material with potential applications for short-wavelength optoelectronic devices, as a blue light emitting diodes and in spintronics. In this contribution we have measured the temperature dependence (30 K < T < 300 K) of the electrical resistance of ZnO single crystals prepared by hydrothermal method in darkness and under the influence of light in the ultraviolet range. The resistance decreases several orders of magnitude at temperatures T < 200 K after illumination. Electron paramagnetic resonance studies under illumination reveal that the excitation of Li acceptor impurities is the origin for the giant negative photoresistance effect. Permanent photoresistance effect is also observed, which remains many hours after leaving the crystal in darkness.

  5. Neutron transmission and reflection at a copper single crystal

    International Nuclear Information System (INIS)

    Adib, M.; Maayouf, R.M.A.; Abdel-Kawy, A.; Fayek, M.; Habib, N.; Wahba, M.

    1991-01-01

    Neutron transmission and reflection at a copper single crystal cut along the (111) plane were studied with the fixed-scattering-angle spectrometer installed at the ET-RR-1 reactor. The transmission was measured for neutron wavelengths between 0.15 and 0.46 nm and various orientations of the (111) plane with respect to the incident beam. When used as a neutron band pass filter, the crystal is optimally oriented when the neutron beam is incident parallel to the [111] direction. The reflectivity was measured for the (111) plane at 45deg with respect to the incident beam. The results were found to be in reasonable agreement with a value predicted for the reflected intensity at an imperfect crystal with finite absorption. (orig.) [de

  6. IPNS time-of-flight single crystal diffractometer

    International Nuclear Information System (INIS)

    Schultz, A.J.; Teller, R.G.; Williams, J.M.

    1983-01-01

    The single crystal diffractometer (SCD) at the Argonne Intense Pulsed Neutron Source (IPNS) utilizes the time-of-flight (TOF) Laue technique to provide a three-dimensional sampling of reciprocal space during each pulse. The instrument contains a unique neutron position-sensitive 6 Li-glass scintillation detector with an active area of 30 x 30 cm. The three-dimensional nature of the data is very useful for fast, efficient measurement of Bragg intensities and for the studies of superlattice and diffuse scattering. The instrument was designed to achieve a resolution of 2% or better (R = δQ/Q) with 2 THETA > 60 0 and lambda > 0.7A

  7. Thermal conductivity of niobium single crystals in a magnetic field

    International Nuclear Information System (INIS)

    Gladun, C.; Vinzelberg, H.

    1980-01-01

    The thermal conductivity in longitudinal magnetic fields up to 5 T and in the temperature range 3.5 to 15 K is measured in two high purity niobium single crystals having residual resistivity ratios of 22700 and 19200 and orientations of the rod axis [110] and [100]. The investigations show that by means of the longitudinal magnetic field the thermal conductivity may decrease only to a limiting value. In the crystal directions [110] and [100] for the ratio of the thermal conductivity in zero field and the thermal conductivity in the saturation field the temperature-independent factors 1.92 and 1.27, respectively, are determined. With the aid of these factors the thermal conductivity in the normal state is evaluated from the measured values of thermal conductivity below Tsub(c) in the magnetic field. The different conduction and scattering mechanisms are discussed. (author)

  8. Superconductivity in SrNi2P2 single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ronning, Filip [Los Alamos National Laboratory; Bauer, Eric D [Los Alamos National Laboratory; Park, Tuscon [Los Alamos National Laboratory; Thompson, Joe D [Los Alamos National Laboratory

    2009-01-01

    Heat capacity, magnetic susceptibility, and resistivity of SrNi{sub 2}P{sub 2} single crystals are presented, illustrating the structural transition at 325 K, and bulk superconductivity at 1.4 K. The magnitude of {Tc}, fits to the heat capacity data, the small upper critical field H{sub c2} = 390 Oe, and {kappa} = 2.1 suggests a conventional fully gapped superconductor. With applied pressure we find that superconductivity persists into the so-called 'collapsed tetragonal' phase, although the transition temperature is monotonically suppressed with increasing pressure. This argues that reduced dimensionality can be a mechanism for increasing the transition temperatures of layered NiP, as well as layered FeAs and NiAs, superconductors.

  9. Preparation of high purity yttrium single crystals by electrotransport

    International Nuclear Information System (INIS)

    Volkov, V.T.; Nikiforova, T.V.; Ionov, A.M.; Pustovit, A.N.; Sikharulidse, G.G.

    1981-01-01

    The possibility of obtaining yttrium crystals of high purity by the method of solid state electrotransport (SSE) was investigated in the present work. The behaviour of low contents of iron, aluminium, silicon, tantalum, copper, silver and vanadium as metallic impurities was studied using mass spectrometry. It is shown that all the impurities investigated, except copper, migrate to the anode. During electrotransfer a purification with respect to these impurities by a factor of 4 - 6 is obtained. It is proposed that the diffusion coefficients of the metallic impurities investigated are anomalously high and that the behaviour of the impurities during SSE in adapters necessitates further investigation. By using a three-stage process with intermediate removal of the anode end yttrium single crystals with a resistance ratio rho 293 /rhosub(4.2)=570 were produced. (Auth.)

  10. Microscopic single-crystal refractometry as a function of wavelength

    International Nuclear Information System (INIS)

    DeLoach, L.D.

    1994-01-01

    The refractive indices of crystal fragments 50--200 μm in size can be measured for light wavelengths between 365 and 1100 nm with a spindle-stage refractometer. Established methods from optical crystallograpy are used to orient a crystal on the microscope spindle stage and then to match its refractive index to an immersion fluid. The refractive index of the fluid for the wavelength of light and matching temperature is determined by comparison of a reference crystal on a second spindle axis with the fluid under the match conditions. Investigations of new nonlinear-optical crystals admirably demonstrate the advantages of measuring the refractive index to ± 0.0004 in small single crystals

  11. Induced defects in neutron irradiated GaN single crystals

    International Nuclear Information System (INIS)

    Park, I. W.; Koh, E. K.; Kim, Y. M.; Choh, S. H.; Park, S. S.; Kim, B. G.; Sohn, J. M.

    2005-01-01

    The local structure of defects in undoped, Si-doped, and neutron irradiated free standing GaN bulk crystals, grown by hydride vapor phase epitaxy, has been investigated by employing Raman scattering and cathodoluminescence. The GaN samples were irradiated to a dose of 2 x 10 17 neutrons in an atomic reactor at Korea Atomic Energy Research Institute. There was no appreciable change in the Raman spectra for undoped GaN samples before and after neutron irradiation. However, a forbidden transition, A 1 (TO) mode, appeared for a neutron irradiated Si-doped GaN crystal. Cathodoluminescence spectrum for the neutron irradiated Si-doped GaN crystal became much more broadened than that for the unirradiated one. The experimental results reveal the generation of defects with locally deformed structure in the wurtzite Si-doped GaN single crystal

  12. Quantum nernst effect in a bismuth single crystal

    International Nuclear Information System (INIS)

    Matsuo, M.; Endo, A.; Hatano, N.; Nakamura, H.; Shirasaki, R.; Sugihara, K.

    2009-07-01

    We calculate the phonon-drag contribution to the transverse (Nernst) thermoelectric power S yx in a bismuth single crystal subjected to a quantizing magnetic field. The calculated heights of the Nernst peaks originating from the hole Landau levels and their temperature dependence reproduce the right order of magnitude for those of the pronounced magneto-oscillations recently reported by Behnia et al. A striking experimental finding that S yx is much larger than the longitudinal (Seebeck) thermoelectric power S xx can be naturally explained as the effect of the phonon drag, combined with the well-known relation between the longitudinal and the Hall resistivity ρ xx >> |ρ yx | in a semi-metal bismuth. The calculation that includes the contribution of both holes and electrons suggests that some of the hitherto unexplained minor peaks located roughly at the fractional filling of the hole Landau levels are attributable to the electron Landau levels. (author)

  13. Shock compression experiments on Lithium Deuteride single crystals.

    Energy Technology Data Exchange (ETDEWEB)

    Knudson, Marcus D.; Desjarlais, Michael Paul; Lemke, Raymond W.

    2014-10-01

    S hock compression exper iments in the few hundred GPa (multi - Mabr) regime were performed on Lithium Deuteride (LiD) single crystals . This study utilized the high velocity flyer plate capability of the Sandia Z Machine to perform impact experiments at flyer plate velocities in the range of 17 - 32 km/s. Measurements included pressure, density, and temperature between %7E200 - 600 GPa along the Principal Hugoniot - the locus of end states achievable through compression by large amplitude shock waves - as well as pressure and density of re - shock states up to %7E900 GPa . The experimental measurements are compared with recent density functional theory calculations as well as a new tabular equation of state developed at Los Alamos National Labs.

  14. Trapped electrons in irradiated single crystals of polyhydroxy compounds

    International Nuclear Information System (INIS)

    Box, H.C.; Budzinski, E.E.; Freund, H.G.; Potter, W.R.

    1979-01-01

    The intermolecular trapping of electrons has been observed in single crystals of dulcitol and L(+) arabinose x-irradiated at 4.2 0 K. Attribution of a major component of the ESR absorption to trapped electrons is based upon the character of the hyperfine pattern, which arises from multiple anisotropic hyperfine interactions with exchangeable protons, and on the g value of the absorption, which is always less than the free spin value. The removal of the trapped electron absorption upon irradiation with visible light has also been demonstrated. In these experiments all of the electrons are trapped in identical sites. This circumstance provides some important advantages in the study of the factors affecting the stabilization of charge in an environment of polarizable molecules

  15. Phonon interactions with methyl radicals in single crystals

    Directory of Open Access Journals (Sweden)

    James W. Wells

    2017-04-01

    Full Text Available The high temperature ESR spectra’s anomalous appearance at very low temperatures for the methyl radical created in single crystals is explained by magnetic dipole interactions with neighboring protons. These protons acting via phonon vibrations induce resonant oscillations with the methyl group to establish a very temperature sensitive ‘‘relaxation’’ mode that allows the higher energy ‘‘E’’ state electrons with spin 12 to ‘‘decay’’ into ‘‘A’’ spin 12 states. Because of the amplitude amplification with temperature, the ‘‘E’’ state population is depleted and the ‘‘A’’ state population augmented to produce the high temperature ESR spectrum. This phenomenon is found to be valid for all but the very highest barriers to methyl group tunneling. In support, a time dependent spin population study shows this temperature evolution in the state populations under this perturbation.

  16. Neutron transmission and reflection at a copper single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Adib, M.; Maayouf, R.M.A.; Abdel-Kawy, A.; Fayek, M.; Habib, N. (Atomic Energy Establishment, Cairo (Egypt). Reactor and Neutron Physics Dept.); Wahba, M. (Ain Shams Univ., Cairo (Egypt). Dept. of Engineering Physics and Mathematics)

    1991-06-01

    Neutron transmission and reflection at a copper single crystal cut along the (111) plane were studied with the fixed-scattering-angle spectrometer installed at the ET-RR-1 reactor. The transmission was measured for neutron wavelengths between 0.15 and 0.46 nm and various orientations of the (111) plane with respect to the incident beam. When used as a neutron band pass filter, the crystal is optimally oriented when the neutron beam is incident parallel to the (111) direction. The reflectivity was measured for the (111) plane at 45deg with respect to the incident beam. The results were found to be in reasonable agreement with a value predicted for the reflected intensity at an imperfect crystal with finite absorption. (orig.).

  17. Neutron transmission of single-crystal sapphire filters

    International Nuclear Information System (INIS)

    Adib, M.; Kilany, M.; Habib, N.; Fathallah, M.

    2005-01-01

    An additive formula is given that permits the calculation of the nuclear capture, thermal diffuse and Bragg scattering cross-sections as a function of sapphire temperature and crystal parameters. We have developed a computer program that allows calculations of the thermal neutron transmission for the sapphire rhombohedral structure and its equivalent trigonal structure. The calculated total cross-section values and effective attenuation coefficient for single-crystalline sapphire at different temperatures are compared with measured values. Overall agreement is indicated between the formula fits and experimental data. We discuss the use of sapphire single crystal as a thermal neutron filter in terms of the optimum crystal thickness, mosaic spread, temperature, cutting plane and tuning for efficient transmission of thermal-reactor neutrons. (author)

  18. Neutron Transmission of Single-crystal Sapphire Filters

    Science.gov (United States)

    Adib, M.; Kilany, M.; Habib, N.; Fathallah, M.

    2005-05-01

    An additive formula is given that permits the calculation of the nuclear capture, thermal diffuse and Bragg scattering cross-sections as a function of sapphire temperature and crystal parameters. We have developed a computer program that allows calculations of the thermal neutron transmission for the sapphire rhombohedral structure and its equivalent trigonal structure. The calculated total cross-section values and effective attenuation coefficient for single-crystalline sapphire at different temperatures are compared with measured values. Overall agreement is indicated between the formula and experimental data. We discuss the use of sapphire single crystal as a thermal neutron filter in terms of the optimum cystal thickness, mosaic spread, temperature, cutting plane and tuning for efficient transmission of thermal-reactor neutrons.

  19. Neutron transmission of single-crystal sapphire filters

    International Nuclear Information System (INIS)

    Adib, M.; Kilany, M.; Habib, N.; Fathallah, M.

    2004-01-01

    A simple additive formula is given that permits the calculation of the nuclear capture, thermal diffuse and Bragg scattering cross-sections as a function of sapphire temperature and crystal parameters. We have developed a computer program that allows calculations of the thermal neutron transmission for the sapphire rhombohedral structure and its equivalent trigonal structure. The calculated total cross-section values and effective attenuation coefficient for mono-crystalline sapphire at different temperatures are compared with measured values. Overall agreement is indicated between the formula fits and experimental data. We discuss the use of sapphire single-crystal as a thermal neutron filter in terms of the optimum crystal thickness, mosaic spread, temperature, cutting plane and tuning for efficient transmission of thermal-reactor neutrons

  20. Effect of neutron irradiation on single crystal V3Si

    International Nuclear Information System (INIS)

    Viswanathan, R.; Caton, R.; Cox, D.E.; Guha, A.; Sarachik, M.P.; Smith, F.W.; Testardi, L.R.

    1977-01-01

    We We have investigated the effect of successive neutron irradiation up to a fluence of approximately 2 x 10 19 n/cm 2 , by measurements of heat capacity, susceptibility, resistivity, acoustic velocity and neutron diffraction in a single crystal V 3 Si. We find that for low level doses (phi t greater than or equal to 3.5 x 10 18 n/cm 2 ) (a) the structural transformation is very sensitive, whereas the suerconducting transition temperature, T/sub c/, is hardly affected, and (b) except for low temperature heat capacity, most of the other measurements show very little change. For the highest fluence of 2 x 10 19 n/cm 2 used to date, the T/sub c/ dropped to 7.5 K with large changes in the linear heat capacity coefficient, magnetic susceptibility and sound velocity. These results are discussed briefly in this paper