Thermal switching of the electrical conductivity of Si(111)(√3x√3)Ag due to a surface phase transition

International Nuclear Information System (INIS)

Wells, J W; Kallehauge, J F; Hofmann, Ph

2007-01-01

The temperature-dependent surface conductivity of the Si(111)(√3x√3)Ag surface was measured using a microscopic four-point probe. The conductivity was found to undergo a sharp increase of about three orders of magnitude when the system was heated above about 220 K. This strong conductivity change is reversible and attributed to the phase transition which is generally believed to occur on this surface. It is also shown that, in order to find the true surface conductivity, it is necessary to separate it from the contribution of the bulk and space charge layer. In this work, this is achieved by using a finite-element model. A percolating network of Ag islands on Si(111) was also studied and a much simpler behaviour (compared to that of Si(111))(√3x√3)Ag) was found. The temperature-dependent conductivity of this system was found to display typical metallic behaviour. The absolute value of the conductivity is comparable to the value expected by modelling the Ag film as exhibiting the bulk Ag transport properties

Slow positron studies on single crystals of Ag(100), Ag(111) and Cu(111)

International Nuclear Information System (INIS)

Lynn, K.G.

1979-01-01

Monoenergetic positrons were employed to examine positronium formation as a function of sample temperature (300 to 1200 K) and incident energy (0 to 5 keV) on Ag(100), Ag(111) and Cu(111) surfaces with submonolayer contamination. In these metals at the higher temperatures, positronium formation becomes the dominant process. A one-dimensional diffusion model is fit to the data as a function of incident energy. Th positronium fraction is found to be an activated process and is identified as detrapping from a surface state and an estimate of the depth of this trap is extracted. The diffusion length is found to be temperature independent before the onset of vacancy trapping. At the higher temperatures vacancy trapping is observed by the decrease in the positron diffusion length at the higher incident voltages. A vacancy formation energy is extracted from the data and is generally lower than the accepted bulk values. 18 references

Electronic structure of Co islands grown on the {radical}3 x {radical}3-Ag/Ge(111) surface

Energy Technology Data Exchange (ETDEWEB)

Huang, Xiao-Lan; Chou, Chi-Hao; Lin, Chun-Liang; Tomaszewska, Agnieszka; Fu, Tsu-Yi, E-mail: phtifu@phy.ntnu.edu.tw

2011-09-30

By means of room temperature scanning tunneling spectroscopy (RT STS), we have studied the electronic structure of two different Ag/Ge(111) phases as well as Co islands grown on the {radical}3 x {radical}3-Ag/Ge (111) forming either {radical}13 x {radical}13 or 2 x 2 patterns. The spectrum obtained from 4 x 4-Ag/Ge(111) structure shows the existence of a shoulder at 0.7 V which is also present in the electronic structure of the Ge(111)-c2 x 8 and indicates donation of Ge electrons to electronic states of the Ag-driven phase. However, this fact is not supported by the electronic spectrum taken from the {radical}3 x {radical}3-Ag/Ge (111). The complexity of the Co-{radical}13 x {radical}13 islands bonding with the substrate is mirrored by a large number of peaks in their electronic spectra. The spectra obtained from the Co-2 x 2 islands which had grown on the step differ from those taken from Co-2 x 2 islands located along the edge of the terrace by a number of peaks at negative sample bias. This discrepancy is elucidated in terms of dissimilarities of Co-substrate interaction accompanying Co islands growth on different areas of the stepped surface.

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

A first principles study on the electronic origins of silver segregation at the Ag-Au (111) surface

Science.gov (United States)

Hoppe, Sandra; Müller, Stefan

2017-12-01

The special electronic structure of gold gives rise to many interesting phenomena, such as its color. The surface segregation of the silver-gold system has been the subject of numerous experimental and theoretical studies, yielding conflicting results ranging from strong Ag surface enrichment to Au surface segregation. Via a combined approach of density functional theory (DFT) and statistical physics, we have analyzed the segregation at the Ag-Au (111) surface with different Ag bulk concentrations. Interestingly, we observe a moderate Au surface segregation, which is due to a charge transfer from the less electronegative Ag to Au. Canonical Monte Carlo simulations suggest that the calculated concentration profile with a Au-enriched surface layer remains stable up to higher temperatures. However, the presence of adsorbed oxygen reverses the segregation behavior and leads to strong Ag enrichment of the surface layer.

Growth of two-dimensional Ge crystal by annealing of heteroepitaxial Ag/Ge(111) under N2 ambient

Science.gov (United States)

Ito, Koichi; Ohta, Akio; Kurosawa, Masashi; Araidai, Masaaki; Ikeda, Mitsuhisa; Makihara, Katsunori; Miyazaki, Seiichi

2018-06-01

The growth of a two-dimensional crystal of Ge atoms on an atomically flat Ag(111) surface has been demonstrated by the thermal annealing of a heteroepitaxial Ag/Ge structure in N2 ambient at atmospheric pressure. The surface morphology and chemical bonding features of heteroepitaxial Ag(111) grown on wet-cleaned Ge(111) after annealing at different temperatures and for various times have been systematically investigated to control the surface segregation of Ge atoms and the planarization of the heteroepitaxial Ag(111) surface.

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.

Identification of Ag-acceptors in $^{111}Ag^{111}Cd$ doped ZnTe and CdTe

CERN Document Server

Hamann, J; Deicher, M; Filz, T; Lany, S; Ostheimer, V; Strasser, F; Wolf, H; Wichert, T

2000-01-01

Nominally undoped ZnTe and CdTe crystals were implanted with radioactive /sup 111/Ag, which decays to /sup 111/Cd, and investigated by photoluminescence spectroscopy (PL). In ZnTe, the PL lines caused by an acceptor level at 121 meV are observed: the principal bound exciton (PBE) line, the donor-acceptor pair (DAP) band, and the two-hole transition lines. In CdTe, the PBE line and the DAP band that correspond to an acceptor level at 108 meV appear. Since the intensities of all these PL lines decrease in good agreement with the half-life of /sup 111/Ag of 178.8 h, both acceptor levels are concluded to be associated with defects containing a single Ag atom. Therefore, the earlier assignments to substitutional Ag on Zn- and Cd-lattice sites in the respective II-VI semiconductors are confirmed. The assignments in the literature of the S/sub 1/, S /sub 2/, and S/sub 3/ lines in ZnTe and the X/sub 1//sup Ag/, X/sub 2 //sup Ag//C/sub 1//sup Ag/, and C/sub 2//sup Ag/ lines in CdTe to Ag- related defect complexes are ...

Anomalous growth of Ba on Ag(111)

International Nuclear Information System (INIS)

Teodoro, O.M.N.D.; Los, J.; Moutinho, A.M.C.

2002-01-01

Electropositive elements are often adsorbed on metals to produce a well-known decrease in the surface work function. During deposition, the work function drops steeply and reaches a minimum at coverage lower than one monolayer. Then, it increases slightly and the work function converges to the value of the deposited element. In this work, we report anomalous behavior found during the deposition of barium on a Ag(111) surface. After a minimum of about 2.4 eV the work function did not increase up to 2.7 eV, the bulk barium work function, no matter what amount of barium was deposited. Auger electron spectroscopy corroborated these results in which we measured a permanent and constant intensity of the Ag MNN peak for high barium coverage. To explain this anomalous growth of barium on Ag(111) we propose an explanation based on the diffusion of silver atoms into the barium film. Further experiments showed that coadsorption of oxygen before a second deposition of barium blocked the diffusion thus allowing the work function to reach 2.7 eV

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

111Ag in the Chernobyl fallout

International Nuclear Information System (INIS)

Winkler, R.; Rosner, G.; Hoetzl, H.

1989-01-01

In the course of a re-evalution of the gamma-ray spectra of air filter samples collected immediately after Chernobyl accident at Munich-Neuherberg 111 Ag has been found to contribute significantly to the total activity within the first days of the Chernobyl fallout. The maximum air concentration was measured on 1 May 1986 to be 5.4 Bq/m 3 compared with 9.7 Bq 137 Cs per m 3 . Referred to this date the total activity deposition to ground was 12±3 kBq 111 Ag per m 2 . Referred to 26 April 1986 the 111 Ag to 110m Ag ratio was found to be 53±3 and the 111 Ag to 137 Cs ratio was 1.0±0.1. It is estimated that the cesium isotopes were depleted during release and atmospheric transport by a factor of about 2 compared with the silver isotopes. (orig.)

Self-learning kinetic Monte Carlo simulations of self-diffusion of small Ag islands on the Ag(111) surface

International Nuclear Information System (INIS)

Shah, Syed Islamuddin; Nandipati, Giridhar; Rahman, Talat S; Karim, Altaf

2016-01-01

We studied self-diffusion of small two-dimensional Ag islands, containing up to ten atoms, on the Ag(111) surface using self-learning kinetic Monte Carlo (SLKMC) simulations. Activation barriers are calculated using the semi-empirical embedded atom method (EAM) potential. We find that two- to seven-atom islands primarily diffuse via concerted translation processes with small contributions from multi-atom and single-atom processes, while eight- to ten-atom islands diffuse via single-atom processes, especially edge diffusion, corner rounding and kink detachment, along with a minimal contribution from concerted processes. For each island size, we give a detailed description of the important processes, and their activation barriers, responsible for its diffusion. (paper)

Adsorption behavior of Fe atoms on a naphthalocyanine monolayer on Ag(111) surface

Energy Technology Data Exchange (ETDEWEB)

Yan, Linghao; Wu, Rongting; Bao, Deliang; Ren, Junhai; Zhang, Yanfang; Zhang, Haigang; Huang, Li; Wang, Yeliang; Du, Shixuan; Huan, Qing; Gao, Hong-Jun

2015-05-29

Adsorption behavior of Fe atoms on a metal-free naphthalocyanine (H₂Nc) monolayer on Ag(111) surface at room temperature has been investigated using scanning tunneling microscopy combined with density functional theory (DFT) based calculations. We found that the Fe atoms adsorbed at the centers of H₂Nc molecules and formed Fe-H₂Nc complexes at low coverage. DFT calculations show that the configuration of Fe at the center of a molecule is the most stable site, in good agreement with the experimental observations. After an Fe-H₂Nc complex monolayer was formed, the extra Fe atoms self-assembled to Fe clusters of uniform size and adsorbed dispersively at the interstitial positions of Fe-H₂Nc complex monolayer. Furthermore, the H₂Nc monolayer grown on Ag(111) could be a good template to grow dispersed magnetic metal atoms and clusters at room temperature for further investigation of their magnetism-related properties.

Ag on Si(111) from basic science to application

Energy Technology Data Exchange (ETDEWEB)

Belianinov, Aleksey [Iowa State Univ., Ames, IA (United States)

2012-01-01

In our work we revisit Ag and Au adsorbates on Si(111)-7x7, as well as experiment with a ternary system of Pentacene, Ag and Si(111). Of particular interest to us is the Si(111)-(√3x√3)R30°}–Ag (Ag-Si-√3 hereafter). In this thesis I systematically explore effects of Ag deposition on the Ag-Si-√3 at different temperatures, film thicknesses and deposition fluxes. The generated insight of the Ag system on the Si(111) is then applied to generate novel methods of nanostructuring and nanowire growth. I then extend our expertise to the Au system on the Ag-Si(111) to gain insight into Au-Si eutectic silicide formation. Finally we explore behavior and growth modes of an organic molecule on the Ag-Si interface.

Interactions of oxygen and ethylene with submonolayer Ag films supported on Ni(111).

Science.gov (United States)

Rettew, Robert E; Meyer, Axel; Senanayake, Sanjaya D; Chen, Tsung-Liang; Petersburg, Cole; Ingo Flege, J; Falta, Jens; Alamgir, Faisal M

2011-06-21

We investigate the oxidation of, and the reaction of ethylene with, Ni(111) with and without sub-monolayer Ag adlayers as a function of temperature. The addition of Ag to Ni(111) is shown to enhance the activity towards the ethylene epoxidation reaction, and increase the temperature at which ethylene oxide is stable on the surface. We present a systematic study of the formation of chemisorbed oxygen on the Ag-Ni(111) surfaces and correlate the presence and absence of O(1-) and O(2-) surface species with the reactivity towards ethylene. By characterizing the samples with low-energy electron microscopy (LEEM) in combination with X-ray photoelectron spectroscopy (XPS), we have identified specific growth of silver on step-edge sites and successfully increased the temperature at which the produced ethylene oxide remains stable, a trait which is desirable for catalysis.

sup 111 Ag in the Chernobyl fallout

Energy Technology Data Exchange (ETDEWEB)

Winkler, R.; Rosner, G.; Hoetzl, H. (Gesellschaft fuer Strahlen- und Umweltforschung mbH Muenchen, Neuherberg (Germany, F.R.). Inst. fuer Strahlenschutz)

1989-01-01

In the course of a re-evalution of the gamma-ray spectra of air filter samples collected immediately after Chernobyl accident at Munich-Neuherberg {sup 111}Ag has been found to contribute significantly to the total activity within the first days of the Chernobyl fallout. The maximum air concentration was measured on 1 May 1986 to be 5.4 Bq/m{sup 3} compared with 9.7 Bq {sup 137}Cs per m{sup 3}. Referred to this date the total activity deposition to ground was 12{plus minus}3 kBq {sup 111}Ag per m{sup 2}. Referred to 26 April 1986 the {sup 111}Ag to {sup 110m}Ag ratio was found to be 53{plus minus}3 and the {sup 111}Ag to {sup 137}Cs ratio was 1.0{plus minus}0.1. It is estimated that the cesium isotopes were depleted during release and atmospheric transport by a factor of about 2 compared with the silver isotopes. (orig.).

Ag-related alloy formation and magnetic phases for Ag/Co/Ir(111) ultrathin films

International Nuclear Information System (INIS)

Tsay, Jyh-Shen; Tsai, Du-Cheng; Chang, Cheng-Hsun-Tony; Chen, Wei-Hsiang

2013-01-01

The Kerr intensity versus the Ag thickness for Ag grown on the top of Co/Ir(111) exhibits an oscillating behavior with a period around one monolayer which should be due to the morphological change related electronic structure differences of the Ag layer. From systematical investigations of Ag/Co/Ir(111) films with the Co layer thinner than 4 monolayers at temperatures below 900 K, a magnetic phase diagram has been established. As the annealing temperature increases for Ag/Co/Ir(111) films, enhancements of the coercive force occur in both the polar and longitudinal configurations due to the intermixing of Ag and Co at the interface and the formation of Co–Ir alloy. The disappearance of ferromagnetism is mainly attributed to the reduced atomic percent of cobalt in Co–Ir alloy, the lowered Curie temperature by a reduction of the thickness of magnetic layers, and the intermixing of Ag and Co at the Ag/Co interface. - Highlights: • An oscillating behavior occurs due to the morphological change for Ag on Co/Ir(111). • A magnetic phase diagram has been established for Ag/Co/Ir(111). • Some Ag atoms intermix with the underlying Co layer at high temperatures. • Polar coercive force is enhanced due to the compositional change

Adsorption of cobalt (II) octaethylporphyrin and 2H-octaethylporphyrin on Ag(111): new insight into the surface coordinative bond

International Nuclear Information System (INIS)

Bai Yun; Buchner, Florian; Kellner, Ina; Schmid, Martin; Vollnhals, Florian; Steinrueck, Hans-Peter; Marbach, Hubertus; Michael Gottfried, J

2009-01-01

The adsorption of cobalt (II) octaethylporphyrin (CoOEP) and 2H-octaethylporphyrin (2HOEP) on Ag(111) was investigated with scanning tunneling microscopy (STM) and photoelectron spectroscopy (XPS/UPS), in order to achieve a detailed mechanistic understanding of the surface chemical bond of coordinated metal ions. Previous studies of related systems, especially cobalt (II) tetraphenylporphyrin (CoTPP) on Ag(111), have revealed adsorption-induced changes of the oxidation state of the Co ion and the appearance of a new valence state. These effects were attributed to a covalent interaction of the Co ion with the silver substrate. However, recent studies show that the porphyrin ligand of adsorbed CoTPP undergoes a pronounced saddle-shape distortion, which could alter the electronic structure and thus provide an alternative explanation for the new valence state previously attributed to the formation of a surface coordinative bond. With the octaethylporphyrins investigated here, which were found to adsorb in a flat, undistorted conformation on Ag(111), the effects of geometric distortion can be separated from those of the electronic interaction with the substrate. The CoOEP monolayer gives rise to an adsorption-induced shift of the Co 2p signal (-1.9 eV relative to the multilayer), a new valence state at 0.6 eV below the Fermi energy, and a work-function shift of -0.84 eV (2HOEP: -0.44 eV) relative to the clean surface. Comparison with data for the distorted CoTPP confirms the existence of a covalent ion-surface interaction that is insensitive to the conformation of the ligand.

Ammonia synthesis on Au modified Fe(111) and Ag and Cu modified Fe(100) surfaces

DEFF Research Database (Denmark)

Lytken, Ole; Waltenburg, Hanne Neergaard; Chorkendorff, Ib

2003-01-01

In order to investigate any influence of steps and possible positive effects of making surface alloys the ammonia synthesis has been investigated over Au modified Fe(111) and Ag and Cu modified Fe(100) single crystals in the temperature range 603-773 K, using a system combining ultra-high vacuum...... and a high-pressure cell. Ammonia was synthesized from a stoichiometric (N-2:3H(2)) gas mixture at a pressure of 2 bar. By deposition of small amounts of An, the ammonia production activity of the Fe(1 1 1) surface can be enhanced. More important, for the gold modified surface, the reaction order in ammonia...

TEM investigation of the topotactic reaction of (001) and (111) Ag films and Te

International Nuclear Information System (INIS)

Safran, G.; Geszti, O.; Radnoczi, G.

2002-01-01

The formation, structure and morphology of Ag 2 Te phase developed by the reaction of single crystalline Ag films with subsequently vacuum deposited Te vapour was investigated. Silver films 30-40 nm in thickness were deposited at 85-120 grad C by thermal evaporation in vacuum at a base pressure of 4x10 -5 mbar. The NaCl substrates were cleaved and saw-cut in order to achieve (001) and (111) surfaces, respectively. The surfaces were treated with water and chlorine prior to Ag deposition. This preparation resulted in single crystalline Ag films of (001) and (111) orientation. Tellurium was deposited onto the silver at a rate about 0.1 nm/s at 200 grad C i.e. above the temperature of the polymorphic phase transformation from monoclinic to fcc (T c =150 grad C). The Ag-Te reaction occurred during the Te deposition. The samples were investigated by TEM and SAED in a 200 kV Philips CM 20 electron microscope equipped with a Ge detector Noran EDS system. In the fully tellurized layers, however, the monoclinic (low temperature) Ag 2 Te phase was found. It exhibited large single crystals consisting of strictly oriented mosaic grains of 1-2 mm size. Surprisingly, the orientation of the telluride was identical (010) on both the (001) and (111) Ag parent films. It is suggested that the final orientation appears during the polymorphic phase transition while cooling to room temperature, regardless to Ag orientation, due to the lower surface energy of the (010) orientation of monoclinic phase nuclei. (Authors)

Monitoring Si growth on Ag(111) with scanning tunneling microscopy reveals that silicene structure involves silver atoms

International Nuclear Information System (INIS)

Prévot, G.; Bernard, R.; Cruguel, H.; Borensztein, Y.

2014-01-01

Using scanning tunneling microscopy (STM), the elaboration of the so-called silicene layer on Ag(111) is monitored in real time during Si evaporation at different temperatures. It is shown that the growth of silicene is accompanied by the release of about 65% of the surface Ag atoms from the Si covered areas. We observe that Si islands develop on the Ag terraces and Si strips at the Ag step edges, progressively forming ordered (4×4), (√(13)×√(13)) R13.9°, and dotted phases. Meanwhile, displaced Ag atoms group to develop additional bare Ag terraces growing round the Si islands from the pristine Ag step edges. This indicates a strong interaction between Si and Ag atoms, with an important modification of the Ag substrate beneath the surface layer. This observation is in contradiction with the picture of a silicene layer weakly interacting with the unreconstructed Ag substrate, and strongly indicates that the structure of silicene on Ag(111) corresponds either to a Si-Ag surface alloy or to a Si plane covered with Ag atoms

Structural analysis of Ag growth on Ni(111)

Energy Technology Data Exchange (ETDEWEB)

Meyer, Axel; Flege, Jan Ingo; Falta, Jens [Institute of Solid State Physics, University of Bremen, 28359 Bremen (Germany); Senanayake, Sanjaya [Chemistry Department, Brookhaven National Laboratory, Upton, NY 11973-5000 (United States); Alamgir, Faisal [Georgia Institute of Technology, Atlanta, GA 30332-0245 (United States)

2010-07-01

The growth structure and morphology of ultra-thin metal films on metallic substrates strongly influence the physical and chemical properties of the resulting bimetallic system. Therefore, a particular knowledge of these properties is crucial for creating functional materials with novel characteristics. In this contribution, a detailed study of the growth of ultra-thin silver films on the Ni(111) surface employing in-situ low-energy electron microscopy and diffraction (LEEM/LEED) is presented. In the entire temperature range from 470 K to 850 K, silver is observed to grow in a Stranski-Krastanov mode with a wetting layer exhibiting a critical thickness of two atomic layers. For lower temperatures, the Ag films take on a collinear (7 x 7) structure or a 1 {sup circle} tilted ({radical}(57) x {radical}(57))R6.59 {sup circle} structure, respectively, the latter as predicted by Chambon et al. (Phys. Rev. B 79 125412 (2009)). Elevated temperatures over 675 K lead to a ({radical}(52) x {radical}(52))R13.9 {sup circle} reconstruction with extended rotational domains on the Ni(111) surface, while Ag/Ni intermixing is not observed throughout the whole temperature range. Furthermore, by quantitative intensity-voltage analysis of the specular beam, layer-dependent surface relaxations were determined.

Identification of Ag and Cd photoluminescence in $^{111}$Ag-doped GaN

CERN Document Server

Stötzler, A; Deicher, M

1999-01-01

In order to unambiguously identify the chemical nature of Cd and Ag related optical transitions in GaN, epitaxial GaN layers were implanted with the radioactive isotope $^{111}$Ag which decays into stable $^{111}$Cd. This chemical transmutation was monitored by photoluminescence (PL) spectroscopy. Being an element specific property, the half-life of this decay was used to establish the chemical assignment of the optical transitions to a specific defect. We found that the Ag related transitions consist of a series of four single lines (1.610, 1.600, 1.594, and 1.573 eV), each accompanied by two phonon replicas separated by 63 meV. Cd produces two PL bands centered at 2.7 and 3.2 eV. Additional Cd-related single transitions at 3.341, 3.328, and 3.249 eV have been observed. Exponential fits to the PL intensities yield half-lives of $t_{1/2}^{Ag}$= (7.61$\\pm$0.27) d and $t_{1/2}^{Cd}$=(7.60$\\pm$0.27) d, respectively, in good agreement with the half-life of $^{111}$Ag of 7.45 d. (13 refs).

Eddy Current Effect of the BNL-AGS Vacuum Chamber on the Optics of the BNL-AGS Synchrotron

International Nuclear Information System (INIS)

Tsoupas, N.; Ahrens, L.; Brown, K. A.; Glenn, J. W.; Gardner, K.

1999-01-01

During the acceleration cycle of the AGS synchrotron, eddy currents are generated within the walls of the vacuum chambers of the AGS main magnets. The vacuum chambers have elliptical cross section, are made of inconel material with a wall thickness of 2 mm and are placed within the gap of the combined-function main magnets of the AGS synchrotron. The generation of eddy currents in the walls of the vacuum chambers, creates various magnetic multipoles, which affect the optics of the AGS machine. In this report these magnetic multipoles are calculated for various time interval starting at the acceleration cycle, where the magnetic field of the main magnet is ∼0.1 T, and ending before the beam extraction process, where the magnetic field of the main magnet is almost constant at ∼ 1.1 T. The calculations show that the magnetic multipoles generated by the eddy-currents affect the optics of the AGS synchrotron during the acceleration cycle and in particular at low magnetic fields of the main magnet. Their effect is too weak to affect the optics of the AGS machine during beam extraction at the nominal energies

Thermal evolution of the morphology of Ni/Ag/Si(111)-{radical}3 Multiplication-Sign {radical}3 surface

Energy Technology Data Exchange (ETDEWEB)

Tomaszewska, Agnieszka; Huang, Xiao-Lan; Chang, Kuo-Wei; Fu, Tsu-Yi, E-mail: phtifu@phy.ntnu.edu.tw

2012-08-31

The temperature-driven changes in morphology of the interface formed by room temperature (RT) deposition of Ni atoms onto an Ag/Si(111)-{radical}3 Multiplication-Sign {radical}3 surface were investigated by scanning tunneling microscopy. Roughly 70% of Ni deposition diffused into bulk substrate within the temperature range between RT and 573 K. The images as obtained after annealing up to 670 K correspond to the formation of nano-sized islands of nickel silicides. Two types of islands, large triangular islands typical of the whole range of applied coverage, and smaller islands of different shapes, coexist at Ni coverage higher than 1 monolayer. Annealing above 870 K led to the formation of a 7 Multiplication-Sign 7 phase in coexistence with small 5 Multiplication-Sign 5 domains at the expense of a complete disappearance of the {radical}3 Multiplication-Sign {radical}3 phase. Also, formation of Ni,Si alloy was observed at the temperature, along with segregation of bulk-dissolved Ni species onto the surface. - Highlights: Black-Right-Pointing-Pointer We examine changes in morphology of Ni/Ag/Si(111)-{radical}3 Multiplication-Sign {radical}3 surface upon annealing. Black-Right-Pointing-Pointer 70% of deposited Ni atoms diffuse into the bulk after annealing at 570 K. Black-Right-Pointing-Pointer A variety of nano-sized Ni, Si islands develops after annealing at 670 K. Black-Right-Pointing-Pointer 5 Multiplication-Sign 5 reconstruction as an evidence for mass transport during the island growth.

Classical theory for the in-plane scattering of atoms from corrugated surfaces: application to the Ar-Ag(111) system.

Science.gov (United States)

Pollak, Eli; Miret-Artés, Salvador

2009-05-21

A classical Wigner in-plane atom surface scattering perturbation theory within the generalized Langevin equation formalism is proposed and discussed with applications to the Ar-Ag(111) system. The theory generalizes the well-known formula of Brako as well as the "washboard model." Explicit expressions are derived for the joint angular and final momentum distributions, joint final energy, and angular distributions as well as average energy losses to the surface. The theory provides insight into the intertwining between the energy loss and angular dependence of the scattering. At low energies the energy loss in the horizontal direction is expected to be large, leading to a shift of the maximum of the angular distribution to subspecular angles, while at high energies the energy loss in the vertical direction dominates, leading to a superspecular maximum in the angular distribution. The same effect underlies the negative slope of the average final (relative) energy versus scattering angle at low energies which becomes positive at high energies. The theory also predicts that the full width at half maximum of the angular distribution varies as the square root of the temperature. We show how the theory provides insight into the experimental results for scattering of Ar from the Ag(111) surface.

Direct formation of a polyamide on Ag(111): Joint XPS and STM studies

Energy Technology Data Exchange (ETDEWEB)

Schmid, Martin; Steinrueck, Hans-Peter; Gottfried, J. Michael [Lehrstuhl fuer Physikalische Chemie II, Universitaet Erlangen-Nuernberg (Germany); Schmitz, Christoph H.; Ikonomov, Julian; Sokolowski, Moritz [Institut fuer Physikalische und Theoretische Chemie, Universitaet Bonn (Germany)

2011-07-01

The polymer poly(p-phenylene terephthalamide) (PPTA) was synthesized on Ag(111) by co-adsorption of the reactive monomer compounds terephthaloyl chloride (TPC) and p-phenylenediamine (PPD) at 300 K. The resulting adsorbate phases were characterised by photoelectron spectroscopy (XPS) and scanning tunneling microscopy (STM). A detailed study of the chemical composition and morphology revealed a complex reaction mechanism, by which the formation of amide bonds leads to folded PPTA polymer chains. According to XPS, the chloride of the TPC precursor is not released as HCl as in the bulk reaction, but remains on the surface as chemisorbed Cl or AgCl. Further temperature-programmed XPS studies of pure TPC on Ag(111) reveal that the molecule decomposes already above 130 K, forming chemisorbed Cl (or AgCl) and a phenylene-dicarbonyl species, which is presumably stabilized by the substrate. The adsorbed chlorine partially desorbs above 800 K as molecular AgCl.

Influence of Group-III-metal and Ag adsorption on the Ge growth on Si(111) and its vicinal surface

Energy Technology Data Exchange (ETDEWEB)

Speckmann, Moritz

2011-12-15

the latter ones are terminated by (111), (013) and (103) side facets as well as a (112) top facet. Ga and In have a contrary impact on the Ge diffusion on the Si(112) surface. While Ga reduces the diffusion for Ge atoms, compared to the growth on the bare Si(112) surface, In increases the diffusion. For the first time Ag was employed as surfactant material for Ge growth on Si. On a completely ({radical}(3) x {radical}(3))-R 30 -Ag covered Si(111) surface a drastic increase of the diffusion length for Ge and, thus, the growth of huge Ge islands (sizes of several {mu}m) is observed. Their density is about three orders of magnitude lower as compared to the growth on the clean Si(111) surface. At a coverage of around 90 bilayers (layer thickness of around 28 nm) the islands are coalesced and a closed Ge film is formed. Ag deposition on both, Si(112) and Si(113), induces the formation of a regular array of nanometer-scale facets along the [110] direction, the sizes of which are dependent on the growth temperature and a maximum periodicity perpendicular to [110] of 55 nm is determined. On Si(112) the array consists of alternating (111) and (113) facets, whereas on Si(113) alternating (111) and (115) facets are found. Subsequently deposited Ge grows nicely along the direction of the facets. Thereby, Ge nanowires with lengths of up to 600 nm and aspect ratios of up to 10:1 are formed.

E3-transitions in sup(105, 107, 109, 111)Ag

International Nuclear Information System (INIS)

Shevelev, G.A.; Troitskaya, A.G.; Kartashov, V.M.

1978-01-01

Electron radiation of the isomeric transitions of the sup(105-111)Ag odd nuclei was studied using an iron magnetic πsup(√2) beta spectrometer. For most isomeric transitions, relative intensities of the K, L, M, and N lines have been measured; for sup(105-111)Ag and 111 Cd they were measured for the first time. Energy of gamma transitions, relative intensities of internal conversion electrons (ICE) compared with the theoretical ICE values for the E3 transitions are presented. The observations for all the shells are in a fairly gool agreement with the calculations. Systematics of low-lying excited states of the silver nuclei involved is proposed. It has been established that spins and parities of the first excited states of the sup(105-111)Ag odd nuclei are 7/2 + . Multipolarities of isomeric transitions from these staes are pure E3. Spin and parity 9/2 + of the second excited states may be uniquely determined unly for 109 Ag from direct measurements of the ICE transition at 45.8 keV

Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: H2 on Ag(111)

Science.gov (United States)

Maurer, Reinhard J.; Jiang, Bin; Guo, Hua; Tully, John C.

2017-06-01

Electronic friction and the ensuing nonadiabatic energy loss play an important role in chemical reaction dynamics at metal surfaces. Using molecular dynamics with electronic friction evaluated on the fly from density functional theory, we find strong mode dependence and a dominance of nonadiabatic energy loss along the bond stretch coordinate for scattering and dissociative chemisorption of H2 on the Ag(111) surface. Exemplary trajectories with varying initial conditions indicate that this mode specificity translates into modulated energy loss during a dissociative chemisorption event. Despite minor nonadiabatic energy loss of about 5%, the directionality of friction forces induces dynamical steering that affects individual reaction outcomes, specifically for low-incidence energies and vibrationally excited molecules. Mode-specific friction induces enhanced loss of rovibrational rather than translational energy and will be most visible in its effect on final energy distributions in molecular scattering experiments.

Investigation of the electron dynamics at the PTCDA/Ag(111)-interface; Untersuchung der Elektronendynamik an der PTCDA-Ag (111) - Grenzflaeche

Energy Technology Data Exchange (ETDEWEB)

Schwalb, Christian

2008-12-17

In this work the electron dynamics at the PTCDA/Ag(111) interface have been studied with time- and angleresolved Two-photon photoemission (2PPE) as well as time-resolved photoluminescence (PL). The first part of this work concentrates on the characterization of an unoccupied electronic state, that develops 0.6 eV above the Fermi level due to the adsorption of the PTCDA molecules, whereas the shockley surface state of the clean surface vanishes. The measurements clearly identify this state as an interface state that is located between the metal surface and the first layer of the molecules. Dispersion measurements yield an effective mass of this state of 0.39 m{sub e} at the Gamma-point and show backfolding at the zone boundaries of the rectangular PTCDA unit cell. Time-resolved measurements show a surprisingly short lifetime of t=54 fs, clearly indicating a strong coupling of the state with the metal. This behaviour can be explained by a shift of the shockley surface state. This for the clean Ag(111)-surface normally occupied state shifts above the Fermi level because of the highly polarizable PTCDA molecules. Calculations with a one dimensional model potential support this interpretation. Angleresolved lifetime measurements as a function of parallel momentum show a correlation of the decay dynamics of the interface state with the measured bandstructure. The observed drop of the lifetime for larger parallel momentum is significantly smaller as expected for the pure shockley state. This behaviour can be explained due to a hybridisation of the shockley state with the LUMO+1 of the first PTCDA monolayer for k parallel >>0. The second part of this work deals with the intramolecular excitation at the PTCDA/Ag(111) interface after excitation with laser pulses with 2.33 eV and 4.66 eV photon energy. Time-resolved photoluminescence measurements show a strong rise in the PL-lifetime as a function of PTCDA coverage, that can be explained by an increase in the crystallinity of

Evolution of unoccupied resonance during the synthesis of a silver dimer on Ag(111)

International Nuclear Information System (INIS)

Sperl, A; Kroeger, J; Berndt, R; Franke, A; Pehlke, E

2009-01-01

Silver dimers were fabricated on Ag(111) by single-atom manipulation using the tip of a cryogenic scanning tunnelling microscope. An unoccupied electronic resonance was observed to shift toward the Fermi level with decreasing atom-atom distance as monitored by spatially resolved scanning tunnelling spectroscopy. Density functional calculations were used to analyse the experimental observations and revealed that the coupling between the adsorbed atoms is predominantly direct rather than indirect via the Ag(111) substrate. While the substrate influence is small owing to the surface-projected sp band gap, the direct interaction is most likely due to the large extension of the p wave functions at the adsorbate atoms contributing to the resonance.

Structure and stability of defective silicene on Ag(001) and Ag(111) substrates: A computer experiment

Science.gov (United States)

Galashev, A. E.; Ivanichkina, K. A.; Vorob'ev, A. S.; Rakhmanova, O. R.

2017-06-01

The structure and stability of a two-layer defective silicene on Ag(001) and Ag(111) substrates have been investigated using the molecular dynamics method. The transformation of the radial distribution function of silicene due to the formation of monovacancies, divacancies, trivacancies, and hexavacancies is reduced primarily to a decrease in the intensity of the peaks and the disappearance of the "shoulder" in the second peak. With the passage of time, multivacancies can undergo coalescence with each other and the fragmentation into smaller vacancies, as well as form vacancy clusters. According to the geometric criterion, the Ag(001) substrate provides a higher stability of a perfect two-layer silicene. It has been found, however, that the defective silicene on this substrate has a lower energy only when it contains monovacancies and divacancies. A change in the size of defects leads to a change in the energy priority when choosing between the Ag(001) and Ag(111) substrates. The motion of a lithium ion inside an extended channel between two silicene sheets results in a further disordering of the defective structure of the silicene, during which the strongest stresses in the silicene are generated by forces directed perpendicular to the external electric field. These forces dominate in the silicene channel, the wall of which is supported by the Ag(001) or Ag(111) substrate.

Chemical reactions on platinum-group metal surfaces studied by synchrotron-radiation-based spectroscopy

International Nuclear Information System (INIS)

Kondoh, Hiroshi; Nakai, Ikuyo; Nagasaka, Masanari; Amemiya, Kenta; Ohta, Toshiaki

2009-01-01

A new version of synchrotron-radiation-based x-ray spectroscopy, wave-length-dispersive near-edge x-ray absorption fine structure (dispersive-NEXAFS), and fast x-ray photoelectron spectroscopy have been applied to mechanistic studies on several surface catalytic reactions on platinum-group-metal surfaces. In this review, our approach using above techniques to understand the reaction mechanism and actual application studies on three well-known catalytic surface reactions, CO oxidation on Pt(111) and Pd(111), NO reduction on Rh(111), and H 2 O formation on Pt(111), are introduced. Spectroscopic monitoring of the progress of the surface reactions enabled us to detect reaction intermediates and analyze the reaction kinetics quantitatively which provides information on reaction order, rate constant, pre-exponential factor, activation energy and etc. Such quantitative analyses combined with scanning tunneling microscopy and kinetic Monte Carlo simulations revealed significant contribution of the adsorbate configurations and their dynamic changes to the reaction mechanisms of the above fundamental catalytic surface reactions. (author)

Topological states in a two-dimensional metal alloy in Si surface: BiAg/Si(111)-4 ×4 surface

Science.gov (United States)

Zhang, Xiaoming; Cui, Bin; Zhao, Mingwen; Liu, Feng

2018-02-01

A bridging topological state with a conventional semiconductor platform offers an attractive route towards future spintronics and quantum device applications. Here, based on first-principles and tight-binding calculations, we demonstrate the existence of topological states hosted by a two-dimensional (2D) metal alloy in a Si surface, the BiAg/Si(111)-4 ×4 surface, which has already been synthesized experimentally. It exhibits a topological insulating state with an energy gap of 71 meV (˜819 K ) above the Fermi level and a topological metallic state with quasiquantized conductance below the Fermi level. The underlying mechanism leading to the formation of such nontrivial states is revealed by analysis of the "charge-transfer" and "orbital-filtering" effect of the Si substrate. A minimal effective tight-binding model is employed to reveal the formation mechanism of the topological states. Our finding opens opportunities to detect topological states and measure its quantized conductance in a large family of 2D surface metal alloys, which have been or are to be grown on semiconductor substrates.

Surface morphology and electronic structure of Ni/Ag(100)

International Nuclear Information System (INIS)

Hite, D. A.; Kizilkaya, O.; Sprunger, P. T.; Howard, M. M.; Ventrice, C. A. Jr.; Geisler, H.; Zehner, D. M.

2000-01-01

The growth morphology and electronic structure of Ni on Ag(100) has been studied with scanning tunneling microscopy (STM) and synchrotron based angle resolved photoemission spectroscopy. At deposition temperatures at or below 300 K, STM reveals Ni cluster growth on the surface along with some subsurface growth. Upon annealing to 420 K, virtually all Ni segregates into the subsurface region forming embedded nanoclusters. The electronic structure of Ni d bands in the unannealed surface shows dispersion only perpendicular to the surface whereas the annealed surface has Ni d bands that exhibit a three-dimensional-like structure. This is a result of the increased Ni d-Ag sp hybridization bonding and increased coordination of the embedded Ni nanoclusters. (c) 2000 American Vacuum Society

Pits and adatoms at the interface of 1-ML C84/Ag (111)

International Nuclear Information System (INIS)

Wang Peng; Zhang Han-Jie; Li Yan-Jun; Sheng Chun-Qi; Li Wen-Jie; Xing Xiu-Na; Li Hai-Yang; He Pi-Mo; Bao Shi-Ning; Li Hong-Nian

2013-01-01

We prepare a well-defined C 84 monolayer on the surface of Ag (111) and study the geometric structure by scanning tunneling microscopy (STM). The C 84 molecules form a nearly close-packed incommensurate R30° lattice. The lattice is long-distance ordered with numerous local disorders. The monolayer exhibits complex bright/dim contrast; the largest height difference between the molecules can be greater than 0.4 nm. Annealing the monolayer at 380 °C can desorb part of the molecules, but more than sixty percent molecules stay on the Ag (111) surface even after the sample has been annealed at 650 °C. Our analyses reveal that the 7-atom pits form beneath many molecules. Some other molecules sit at the 1-atom pits. Ag adatoms (those removed substrate atoms, accompanying the pit formation) play a very important role in this system. The adatoms can either stabilize or destabilize the monolayer, depending on the distribution manner of the adatoms at the interface. The distribution manner is determined by the co-play of the following factors: the dimension of the interstitial regions of the C 84 overlayer, the number of the adatoms, and the long-distance migration of part adatoms. (condensed matter: structural, mechanical, and thermal properties)

Deformation of Ag clusters deposited on Au(111) - Experiment and molecular dynamics

Energy Technology Data Exchange (ETDEWEB)

Miroslawski, Natalie; Groenhagen, Niklas; Hoevel, Heinz [TU Dortmund, Experimentelle Physik I (Germany); Issendorff, Bernd von [Universitaet Freiburg, Fakultaet Physik (Germany); Jaervi, Tommi [Fraunhofer Institut fuer Werkstoffmechanik, Freiburg (Germany); Moseler, Michael [Universitaet Freiburg, Fakultaet Physik (Germany); Fraunhofer Institut fuer Werkstoffmechanik, Freiburg (Germany); Freiburger Materialforschungszentrum (Germany)

2011-07-01

Mass selected clusters from Ag{sup +}{sub 55} to Ag{sup +}{sub 147{+-}}{sub 2} were deposited with different deposition energies at 77 K on Au(111) and imaged with STM at 77 K. We observed a deformation of the cluster shape due to the strong metallic interaction between the cluster and the substrate. The clusters became epitaxial and developed a structure composed of several Ag monolayers. The number of these monolayers depends on the number of atoms in the cluster and the deposition energy. The larger the cluster mass the more monolayers the cluster develops on Au(111) and the larger the deposition energy the fewer monolayers occur. These results were verified by molecular dynamic simulations. Additionally the behaviour of Ag{sub N} clusters on Au(111) after different annealing steps was investigated.

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...

Facile NOx interconversion over preoxidized Ag(111)

Science.gov (United States)

Klacar, S.; Martin, N. M.; Gustafson, J.; Blomberg, S.; Liu, Z.; Axnanda, S.; Chang, R.; Lundgren, E.; Grönbeck, H.

2013-11-01

X-ray photoelectron spectroscopy and density functional theory calculations are used to investigate NO adsorption at low (100 K) and room temperature (RT) over preoxidized Ag(111). At 100 K, the data indicates presence of NO and N2O2, with little or no nitrite/nitrate formation. This is consistent with the calculated surface core level shifts and the pronounced barrier for nitrite formation. At RT, the recorded spectra indicate a complex interconversion between adsorbed species with an initial formation of a p(4 × 4) nitrate overlayer. With increasing NO pressure, the experimental results are best rationalized by partial nitrate decomposition into nitrites and subsequent NO physisorption, which leads to the formation of N2O3-like species.

Scanning tunnelling spectroscopy of low pentacene coverage on the Ag/Si(111)-(√3 x √3) surface

International Nuclear Information System (INIS)

Guaino, Ph; Cafolla, A A; McDonald, O; Carty, D; Sheerin, G; Hughes, G

2003-01-01

The low coverage S1 phase of pentacene deposited on Ag/Si(111)-(√3 x √3) has been investigated at room temperature by scanning tunnelling microscopy (STM) and scanning tunnelling spectroscopy (STS). Current-voltage data were acquired simultaneously with STM images for this phase. The normalized conductivity reveals two pronounced peaks at -1.10 and +2.25 V relative to the Fermi level. These peaks are attributed to resonant tunnelling through the highest occupied molecular orbital and lowest unoccupied molecular orbital molecular levels of the pentacene layer. The electronic properties of this interface are discussed in relation to results obtained for pentacene adsorbed on other metallic surfaces

Thin film growth behaviors on strained fcc(111) surface by kinetic Monte Carlo

International Nuclear Information System (INIS)

Doi, Y; Matsunaka, D; Shibutani, Y

2009-01-01

We study Ag islands grown on strained Ag(111) surfaces using kinetic Monte Carlo (KMC) simulations. We employed KMC parameters of activation energy and attempt frequency estimated by nudged elastic band (NEB) method and vibration analyses. We investigate influences of surface strain and substrate temperature on film growth. As the biaxial surface strain increases, the island density increases. As temperature increases, the shape of the island changes from dendric to hexagonal and the island density increases.

Misfit dislocations in (001) Cu/(111) Ag epitaxial bilayers

Energy Technology Data Exchange (ETDEWEB)

Vook, R W; Chao, S S

1979-01-01

Two sets of elongated epitaxial (111) Ag islands rotated by 90/sup 0/ with respect to each other were observed to grow on (001) Cu substrates. In addition, two sets of edge misfit dislocations lay parallel to (110) Cu and (110) Cu or equivalently along (110) Ag and (112) Ag. Their Burgers vectors were determined, together with the elastic strains in these two directions. The island elongation was interpreted as arising from a lower strain energy in the preferred direction of growth.

Adsorption of 1,3-butadiene on Si(111)7x7 surface

International Nuclear Information System (INIS)

An, K.-S.; Kim, Y.; Baik, J.Y.; Park, C.-Y.; Kim, B.

2004-01-01

Full text: The adsorption of 1,3-butadiene (BD : C 4 H 10 ) on the Si(111)7x7 surface has been investigated using synchrotron radiation photoemission spectroscopy and scanning tunneling microscopy. BD adsorbs on the Si(111)7x7 surface at room temperature, not only adatom-rest-atom bridging but also adatom-adatom bridging type. In the valence band spectrum for the Si(111)7x7 surface, the adatom and rest-atom states were observed at the binding energies of about 0.2 and 0.8 eV, respectively. With increasing BD exposure, the adatom state is completely quenched at an initial exposure, while the rest-atom state disappears at higher exposure. This indicates two different reaction pathways of BD on the Si(111)7x7 surface. STM shows three different adsorption types on the 7x7 surface, two adatom-adatom bridging and one adatom-rest-atom bridging types. By comparing the valence band and Si 2p core level spectra with STM images, it was found that the chemical reactivity of BD molecule with the adatom-rest-atom pair is strongly higher than the adatom-adatom pair

Chlorine-induced modifications in the electronic structure of Ag surfaces: a metastable deexcitation spectroscopy and photoemission comparative study

CERN Document Server

Pasquali, L; Canepa, M; Staicu-Casagrande, E M; Esaulov, V A

2003-01-01

Surface-sensitive spectroscopic techniques, namely metastable deexcitation spectroscopy (MDS) and ultraviolet photoemission (UPS), have been applied to investigate the effects of chlorine chemisorption on the electronic properties (surface density of states and charge density) of Ag(100), Ag(110) and Ag(111) surfaces. Initial stages of chemisorption, up to the formation of a saturated Cl overlayer, have been examined. In particular, MDS permitted us to observe at low Cl gas exposure a progressive depletion of the Ag (5s) charge due to transfer and bonding with Cl atoms. From both MDS and UPS it was possible to observe the development of Cl (3p) bonding and anti-bonding states, the amount of their splitting increasing with coverage. Differences between chemisorption at the three surfaces have been noticed and they have been justified in terms of the different adatom packing and possible formation of small AgCl clusters (especially for the Ag(111) surface).

Chlorine-induced modifications in the electronic structure of Ag surfaces: a metastable deexcitation spectroscopy and photoemission comparative study

International Nuclear Information System (INIS)

Pasquali, L; Nannarone, S; Canepa, M; Staicu-Casagrande, E M; Esaulov, V A

2003-01-01

Surface-sensitive spectroscopic techniques, namely metastable deexcitation spectroscopy (MDS) and ultraviolet photoemission (UPS), have been applied to investigate the effects of chlorine chemisorption on the electronic properties (surface density of states and charge density) of Ag(100), Ag(110) and Ag(111) surfaces. Initial stages of chemisorption, up to the formation of a saturated Cl overlayer, have been examined. In particular, MDS permitted us to observe at low Cl gas exposure a progressive depletion of the Ag (5s) charge due to transfer and bonding with Cl atoms. From both MDS and UPS it was possible to observe the development of Cl (3p) bonding and anti-bonding states, the amount of their splitting increasing with coverage. Differences between chemisorption at the three surfaces have been noticed and they have been justified in terms of the different adatom packing and possible formation of small AgCl clusters (especially for the Ag(111) surface)

Adsorption of the ionic liquid [BMP][TFSA] on Au(111 and Ag(111: substrate effects on the structure formation investigated by STM

Directory of Open Access Journals (Sweden)

Benedikt Uhl

2013-12-01

Full Text Available In order to resolve substrate effects on the adlayer structure and structure formation and on the substrate–adsorbate and adsorbate–adsorbate interactions, we investigated the adsorption of thin films of the ionic liquid (IL 1-butyl-1-methylpyrrolidinium-bis(trifluoromethylsulfonylimide [BMP][TFSA] on the close-packed Ag(111 and Au(111 surfaces by scanning tunneling microscopy, under ultra high vacuum (UHV conditions in the temperature range between about 100 K and 293 K. At room temperature, highly mobile 2D liquid adsorbate phases were observed on both surfaces. At low temperatures, around 100 K, different adsorbed IL phases were found to coexist on these surfaces, both on silver and gold: a long-range ordered (‘2D crystalline’ phase and a short-range ordered (‘2D glass’ phase. Both phases exhibit different characteristics on the two surfaces. On Au(111, the surface reconstruction plays a major role in the structure formation of the 2D crystalline phase. In combination with recent density functional theory calculations, the sub-molecularly resolved STM images allow to clearly discriminate between the [BMP]+ cation and [TFSA]− anion.

Suppression of superconductivity in a single Pb layer on Ag/Si(111)

Energy Technology Data Exchange (ETDEWEB)

Leon-Vanegas, Augusto; Kirschner, Juergen [Max Plank Instituet fuer Mikrostukturphysik (Germany); Martin Luther Univeristaet, Halle-Wittenberg (Germany); Caminale, Michael; Stepniak, Agnieszka; Oka, Hirofumi; Sanna, Antonio; Linscheid, Andreas; Sander, Dirk [Max Plank Instituet fuer Mikrostukturphysik (Germany)

2015-07-01

Recently, superconductivity was reported in a single layer of Pb on Si(111) with a critical temperature of 1.83 K. It has been proposed that the interaction of Pb with the Si substrate provides the electron phonon coupling to support superconductivity in this system. We have used a {sup 3}He-cooled STM with a vector magnetic field to study the effect of insertion of a Ag interlayer on the superconducting properties of a single Pb layer on Si(111). In contrast to the experiments on Pb/Si(111), the differential conductance of Pb/Ag/Si(111) does not show a gap indicative of superconductivity even at the lowest experimental temperature of 0.38 K. We ascribe this to the suppression of superconductivity. This result is explained by means of ab-initio calculations, showing that the effect of a chemical hybridization between Pb and Ag/Si occurring at the Fermi level dramatically reduces the strength of the electron phonon coupling. This contrasts with the case of Pb/Si(111), where no overlap between Pb and Si electronic states at the Fermi level is found in the calculations.

Supramolecular organization and chiral resolution of p-terphenyl-m-dicarbonitrile on the Ag(111) surface.

Science.gov (United States)

Marschall, Matthias; Reichert, Joachim; Seufert, Knud; Auwärter, Willi; Klappenberger, Florian; Weber-Bargioni, Alexander; Klyatskaya, Svetlana; Zoppellaro, Giorgio; Nefedov, Alexei; Strunskus, Thomas; Wöll, Christof; Ruben, Mario; Barth, Johannes V

2010-05-17

The supramolecular organization and layer formation of the non-linear, prochiral molecule [1, 1';4',1'']-terphenyl-3,3"-dicarbonitrile adsorbed on the Ag(111) surface is investigated by scanning tunneling microscopy (STM) and near-edge X-ray absorption fine-structure spectroscopy (NEXAFS). Upon two-dimensional confinement the molecules are deconvoluted in three stereoisomers, that is, two mirror-symmetric trans- and one cis-species. STM measurements reveal large and regular islands following room temperature deposition, whereby NEXAFS confirms a flat adsorption geometry with the electronic pi-system parallel to the surface plane. The ordering within the expressed supramolecular arrays reflects a substrate templating effect, steric constraints and the operation of weak lateral interactions mainly originating from the carbonitrile endgroups. High-resolution data at room temperature reveal enantiormorphic characteristics of the molecular packing schemes in different domains of the arrays, indicative of chiral resolution during the 2D molecular self-assembly process. At submonolayer coverage supramolecular islands coexist with a disordered fluid phase of highly mobile molecules. Following thermal quenching (down to 6 K) we find extended supramolecular ribbons stabilised again by attractive and directional noncovalent interactions, the formation of which reflects a chiral resolution of trans-species.

Two-photon Photoemission of Organic Semiconductor Molecules on Ag(111)

Energy Technology Data Exchange (ETDEWEB)

Yang, Aram [Univ. of California, Berkeley, CA (United States)

2008-05-01

Angle- and time-resolved two-photon photoemission (2PPE) was used to study systems of organic semiconductors on Ag(111). The 2PPE studies focused on electronic behavior specific to interfaces and ultrathin films. Electron time dynamics and band dispersions were characterized for ultrathin films of a prototypical n-type planar aromatic hydrocarbon, PTCDA, and representatives from a family of p-type oligothiophenes.In PTCDA, electronic behavior was correlated with film morphology and growth modes. Within a fewmonolayers of the interface, image potential states and a LUMO+1 state were detected. The degree to which the LUMO+1 state exhibited a band mass less than a free electron mass depended on the crystallinity of the layer. Similarly, image potential states were measured to have free electron-like effective masses on ordered surfaces, and the effective masses increased with disorder within the thin film. Electron lifetimes were correlated with film growth modes, such that the lifetimes of electrons excited into systems created by layer-by-layer, amorphous film growth increased by orders of magnitude by only a few monolayers from the surface. Conversely, the decay dynamics of electrons in Stranski-Krastanov systems were limited by interaction with the exposed wetting layer, which limited the barrier to decay back into the metal.Oligothiophenes including monothiophene, quaterthiophene, and sexithiophene were deposited on Ag(111), and their electronic energy levels and effective masses were studied as a function of oligothiophene length. The energy gap between HOMO and LUMO decreased with increasing chain length, but effective mass was found to depend on domains from high- or low-temperature growth conditions rather than chain length. In addition, the geometry of the molecule on the surface, e.g., tilted or planar, substantially affected the electronic structure.

Formation of complex wedding-cake morphologies during homoepitaxial film growth of Ag on Ag(111): atomistic, step-dynamics, and continuum modeling

International Nuclear Information System (INIS)

Li Maozhi; Han, Yong; Thiel, P A; Evans, J W

2009-01-01

An atomistic lattice-gas model is developed which successfully describes all key features of the complex mounded morphologies which develop during deposition of Ag films on Ag(111) surfaces. We focus on this homoepitaxial thin film growth process below 200 K. The unstable multilayer growth mode derives from the presence of a large Ehrlich-Schwoebel step-edge barrier, for which we characterize both the step-orientation dependence and the magnitude. Step-dynamics modeling is applied to further characterize and elucidate the evolution of the vertical profiles of these wedding-cake-like mounds. Suitable coarse-graining of these step-dynamics equations leads to instructive continuum formulations for mound evolution.

Adsorption of O_{2} on Ag(111): Evidence of Local Oxide Formation.

Science.gov (United States)

Andryushechkin, B V; Shevlyuga, V M; Pavlova, T V; Zhidomirov, G M; Eltsov, K N

2016-07-29

The atomic structure of the disordered phase formed by oxygen on Ag(111) at low coverage is determined by a combination of low-temperature scanning tunneling microscopy and density functional theory. We demonstrate that the previous assignment of the dark objects in STM to chemisorbed oxygen atoms is incorrect and incompatible with trefoil-like structures observed in atomic-resolution images in current work. In our model, each object is an oxidelike ring formed by six oxygen atoms around the vacancy in Ag(111).

Quantum mechanics capacitance molecular mechanics modeling of core-electron binding energies of methanol and methyl nitrite on Ag(111) surface.

Science.gov (United States)

Löytynoja, T; Li, X; Jänkälä, K; Rinkevicius, Z; Ågren, H

2016-07-14

We study a newly devised quantum mechanics capacitance molecular mechanics (QMCMM) method for the calculation of core-electron binding energies in the case of molecules adsorbed on metal surfaces. This yet untested methodology is applied to systems with monolayer of methanol/methyl nitrite on an Ag(111) surface at 100 K temperature. It was found out that the studied C, N, and O 1s core-hole energies converge very slowly as a function of the radius of the metallic cluster, which was ascribed to build up of positive charge on the edge of the Ag slab. Further analysis revealed that an extrapolation process can be used to obtain binding energies that deviated less than 0.5 eV against experiments, except in the case of methanol O 1s where the difference was as large as 1.8 eV. Additional QM-cluster calculations suggest that the latter error can be connected to the lack of charge transfer over the QM-CMM boundary. Thus, the results indicate that the QMCMM and QM-cluster methods can complement each other in a holistic picture of molecule-adsorbate core-ionization studies, where all types of intermolecular interactions are considered.

Comparison of electronic structure between monolayer silicenes on Ag (111)

Science.gov (United States)

Chun-Liang, Lin; Ryuichi, Arafune; Maki, Kawai; Noriaki, Takagi

2015-08-01

The electronic structures of monolayer silicenes (4 × 4 and ) grown on Ag (111) surface are studied by scanning tunneling spectroscopy (STS) and density functional theory (DFT) calculations. While both phases have similar electronic structures around the Fermi level, significant differences are observed in the higher energy unoccupied states. The DFT calculations show that the contributions of Si 3pz orbitals to the unoccupied states are different because of their different buckled configurations. Project supported by the Ministry of Education, Culture, Sports, Science and Technology (MEXT) through Grants-in-Aid for Scientific Research (Grant Nos. 24241040 and 25110008) and the World Premier International Research Center Initiative (WPI), MEXT, Japan.

Polymorphism in Self-Assembled Structures of 9-Anthracene Carboxylic Acid on Ag(111

Directory of Open Access Journals (Sweden)

Bo Xu

2012-06-01

Full Text Available Surface self-assembly process of 9-anthracene carboxylic acid (AnCA on Ag(111 was investigated using STM. Depending on the molecular surface density, four spontaneously formed and one annealed AnCA ordered phases were observed, namely a straight belt phase, a zigzag double-belt phase, two simpler dimer phases, and a kagome phase. The two high-density belt phases possess large unit cells on the scale length of 10 nm, which are seldom observed in molecular self-assembled structures. This structural diversity stems from a complicated competition of different interactions of AnCA molecules on metal surface, including intermolecular and molecular-substrate interactions, as well as the steric demand from high molecular surface density.

A three-dimensional self-learning kinetic Monte Carlo model: application to Ag(111)

International Nuclear Information System (INIS)

Latz, Andreas; Brendel, Lothar; Wolf, Dietrich E

2012-01-01

The reliability of kinetic Monte Carlo (KMC) simulations depends on accurate transition rates. The self-learning KMC method (Trushin et al 2005 Phys. Rev. B 72 115401) combines the accuracy of rates calculated from a realistic potential with the efficiency of a rate catalog, using a pattern recognition scheme. This work expands the original two-dimensional method to three dimensions. The concomitant huge increase in the number of rate calculations on the fly needed can be avoided by setting up an initial database, containing exact activation energies calculated for processes gathered from a simpler KMC model. To provide two representative examples, the model is applied to the diffusion of Ag monolayer islands on Ag(111), and the homoepitaxial growth of Ag on Ag(111) at low temperatures.

Manifestations of strain–relaxation in the structure of nano-sized Co-2 × 2 islands grown on Ag/Ge(111)-√3 × √3 surface

International Nuclear Information System (INIS)

Huang, Xiao-Lan; Tomaszewska, Agnieszka; Lin, Chun-Liang; Tsay, Sung-Lin; Chou, Chi-Hao; Fu, Tsu-Yi

2012-01-01

We have examined strain–relaxation of Co-2 × 2 islands grown on the Ag/Ge(111)-√3 × √3 surface by analyzing scanning tunneling microscopy images. We have found that the Co-2 × 2 islands commonly adopt a more compact arrangement as compared to that of the Ge(111) substrate, however they differ in a degree of an atomic compactness. We have not found a distinct relation between strain–relaxation and the island height. Three groups of islands have been identified upon analyzing a correspondence between strain–relaxation and the island size: (i) small islands (not bigger than 80 nm 2 ) with a high atomic compactness, displaying fixed inter-row distances, (ii) small islands with unfixed distances between atomic rows, and (iii) big islands (bigger than 80 nm 2 ) with fixed inter-row distances, but with a less compact atomic arrangement compared to that of the first two groups. We propose a model to account for the relation between the relaxation and the island size. - Highlights: ► We examine strain–relaxation of Co-2 × 2 islands grown on Ag/Ge(111)-√3 × √3 surface. ► The Co-2 × 2 islands are more compact as compared to the substrate. ► No relation between the relaxation and the island height. ► Atomic compactness and atomic order as manifestations of strain–relaxation.

Analyzing relationships between surface perturbations and local chemical reactivity of metal sites: Alkali promotion of O2 dissociation on Ag(111)

Science.gov (United States)

Xin, Hongliang; Linic, Suljo

2016-06-01

Many commercial heterogeneous catalysts are complex structures that contain metal active sites promoted by multiple additives. Developing fundamental understanding about the impact of these perturbations on the local surface reactivity is crucial for catalyst development and optimization. In this contribution, we develop a general framework for identifying underlying mechanisms that control the changes in the surface reactivity of a metal site (more specifically the adsorbate-surface interactions) upon a perturbation in the local environment. This framework allows us to interpret fairly complex interactions on metal surfaces in terms of specific, physically transparent contributions that can be evaluated independently of each other. We use Cs-promoted dissociation of O2 as an example to illustrate our approach. We concluded that the Cs adsorbate affects the outcome of the chemical reaction through a strong alkali-induced electric field interacting with the static dipole moment of the O2/Ag(111) system.

A scanning tunneling microscopy study of the electronic and spin states of bis(phthalocyaninato)terbium(iii) (TbPc2) molecules on Ag(111).

Science.gov (United States)

Ara, Ferdous; Qi, Zhi Kun; Hou, Jie; Komeda, Tadahiro; Katoh, Keiichi; Yamashita, Masahiro

2016-10-25

In this article, we investigate a single molecule magnet bis(phthalocyaninato)terbium(iii) (TbPc 2 ) molecule film by using low temperature STM. In order to investigate the effect of molecule-substrate interaction on the electronic and spin properties of the adsorbed molecule, we tune the molecule-substrate coupling by switching the substrate between Au(111) and Ag(111), the latter of which provides stronger interaction with the molecule than the former. Despite the enhanced chemical reactivity of the Ag(111) surface compared with Au(111), a well-organized pseudo-square film is formed. In addition, a checker-board type contrast variation is identified, which is well explained by the existence of two types of molecules whose rotational angle between the top and bottom Pc is θ = 45° (bright molecule) and θ = 30° (dark molecule). The expected stronger molecule-substrate interaction, however, appears as an intriguing dI/dV mapping image which reveals the spatial distribution of the density of states (DOS). We identify the contrast reversal in the dI/dV mapping for the molecules of θ = 45° and θ = 30° at the sample voltages of V = 0.7 eV and 1.1 eV. Combined with the density functional theory (DFT) calculation, we attribute this change to the shift of an electronic state due to the rotation of the mutual angle between the top and bottom Pc. For the spin behavior, we previously observed a Kondo resonance for the TbPc 2 molecule adsorbed on the Au(111) surface. On the Ag(111) surface, the Kondo resonance is hardly observed, which is due to the annihilation of the π radical spin by the charge transfer from the substrate to the molecule. Instead we observe a Kondo peak for the molecule on the second layer, for which the spin recovers due to the reduction of the coupling with the substrate. In addition, when a magnetic field of 2 T normal to the surface is applied, the second layer molecule shows a sharp dip at the Fermi level. We attribute this to the inelastic

Local Correlation during Ostwald ripening of two-dimensional islands on Ag(111)

NARCIS (Netherlands)

Morgenstern, Karina; Rosenfeld, G.; Comsa, George

1999-01-01

Using two-dimensional Ag adatom islands on Ag(111) as a model system, we study the importance of local correlations in diffusion-limited Ostwald ripening. For the coverages studied (0.08, 0.21, and 0.3 ML), we find that the ripening can be surprisingly well described in a nearest neighbour model

Measurement of 107Ag(α,γ)111In cross sections

International Nuclear Information System (INIS)

Baglin, Coral M.; Norman, Eric B.; Larimer, Ruth-Mary; Rech, Gregory A.

2004-01-01

Cross sections have been measured for the 107 Ag(α,γ) 111 In reaction at several α-particle energies between 7.8 MeV and 11.9 MeV. This reaction is of interest because it can provide a check on calculations of low-energy (α,γ) cross sections required for stellar nucleosynthesis predictions. Stacks of natural Ag foils of 1 (micro)m thickness and 99.97% purity were bombarded with 4 He + beams. Following irradiation, the yields of the 171-keV and 245-keV photons produced in the 2.805 day electron-capture decay of the 111 In product nucleus were measured off-line. The Ag foils were interleaved with 99.6% purity, 6 (micro)m thick natural Ti foils so that known cross sections for the 48 Ti(α,n) reaction could be used to check the accuracy of the beam current integration. For any given beam energy, beam energy degradation in the foils resulted in lower effective bombarding energies for successive foils in the stack, enabling measurements to be made for several energies per irradiation. The measured cross sections are compared with published statistical-model calculations

Imaging and manipulation of a polar molecule on Ag(111)

DEFF Research Database (Denmark)

Lin, R.; Braun, K.F.; Tang, H.

2001-01-01

A scanning tunneling microscope (STM) was applied to image and laterally manipulate isolated phosphangulene molecules on Ag(111) at 6 K. Atomic-resolution images clearly revealed three characteristic types of appearances (three-lobed, fish and bump shape) for the adsorbed molecules, which could...

Surface-supported Ag islands stabilized by a quantum size effect: Their interaction with small molecules relevant to ethylene epoxidation

Energy Technology Data Exchange (ETDEWEB)

Shao, Dahai [Iowa State Univ., Ames, IA (United States)

2013-05-15

This dissertation focuses on how QSE-stabilized, surface-supported Ag nanoclusters will interact with ethylene or oxygen. Experiments are performed to determine whether the QSE-mediated Ag islands react differently toward adsorption of ethylene or oxygen, or whether the adsorption of these small molecules will affect the QSE-mediated stability of Ag islands. Studies of the interaction of oxygen with Ag/Si(111)-7×7 were previously reported, but these studies were performed at a low Ag coverage where 3D Ag islands were not formed. So the study of such a system at a higher Ag coverage will be a subject of this work. The interaction of ethylene with Ag/Si(111)-7×7, as well as the interaction of oxygen with Ag/NiAl(110) are also important parts of this study.

Ag on Ge(111): 2D x-ray structure analysis of the #sq root#3 x #sq root#3 superstructure

DEFF Research Database (Denmark)

Dornisch, D.; Moritz, W.; Schulz, H.

1992-01-01

We have studied the Ag/Ge(111) square-root 3 x square-root 3 superstructure by grazing-incidence X-ray diffraction. In our structural analysis we find striking similarities to the geometry of Au on Si(111). The Ag atoms form trimer clusters with an Ag-Ag distance of 2.94 +/- 0.04 angstrom...

Main cycle controls for the AGS Booster synchrotron

International Nuclear Information System (INIS)

Culwick, B.B.; Yen, S.

1991-01-01

The AGS Booster is a separated function synchrotron with the main excitation coils of the dipoles and quadrupoles connected electrically in series. This circuit is driven by a complex modular power supply with current and voltage reference functions to obtain the desired magnetic fields as a function of time. The dipole cycle is defined by algebraic functions specifying the desired field profile as a function of time. These functions are processed through successive phases to convert to the signals needed to provide the power supply with one current and six voltage references. The user interface and algorithms to derive the control variables are described. 4 refs., 3 figs

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

Science.gov (United States)

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

2017-12-01

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

Manipulation/Extraction of Adatom on a Mound: AG(111)

International Nuclear Information System (INIS)

Yildirim, H.

2004-01-01

We present results of an extensive study of the manipulation/extraction of an atom from a small Ag mound on Ag(111) using a Ag tip. Molecular dynamics (MD) and molecular static (MS) simulations were carried out using interaction potentials from the embedded atom method. In order to evaluate the manipulation capabilities of the tip, we first examine in detail the characteristics of the energy landscape in the absence of the tip. We find that the energy barrier for the extraction of the Ag atom, either through lateral (sliding downwards) or through vertical (climbing upwards) diffusion, to be about 0.3 eV. We show that the presence of the tip lowers the energy barrier for both lateral and vertical diffusion. We find that when the tip is above the edge of the mound (at a height of 2.43 A A from the Ag atom) the barrier for diffusion drops to 0.032 eV for lateral and 0.18 eV for vertical manipulation. We discuss the effect of the tip shape and geometry on the energetics, and present a detailed explanation of how the adatom is extracted from a mound in good agreement with experimental observations

Theoretical study of the surface resistivity of (111) surfaces of NixPt1-x(111) alloys

International Nuclear Information System (INIS)

Rous, P. J.

2001-01-01

A layer-Korringa - Kohn - Rostoker calculation is used to study the compositional dependence of the surface resistivity of the (111) surface of Ni x Pt 1-x (111) alloys. The compositional disorder in the bulk and at the surface is described by the coherent potential approximation. If it is assumed that the atomic planes near the (111) surface Ni x Pt 1-x have the same composition as the bulk layers, then a weak Nordheim effect is observed in the compositional dependence of the surface resistivity. However, we show that surface segregation in Ni x Pt 1-x (111) causes an inverse Nordheim dependence in the actual surface resistivity as the bulk composition is varied. [copyright] 2001 American Institute of Physics

Surface characterization of Ag/Titania adsorbents

International Nuclear Information System (INIS)

Samokhvalov, Alexander; Nair, Sachin; Duin, Evert C.; Tatarchuk, Bruce J.

2010-01-01

The Ag/Titania adsorbent for selective removal of the desulfurization-refractive polycyclic aromatic sulfur heterocycles (PASHs) from liquid hydrocarbon fuels was prepared, its total and the Ag specific surface area were determined and the surface reaction sites in the sorbent that may be active in the adsorptive selective desulfurization were characterized by several spectroscopic and surface science techniques. The sorbent contains Ag, Ti, O and spurious C on its surface, as by the XPS measurements. Silver is present as an oxide, as judged by the XPS Auger parameter (AP). The complementary electron spin resonance (ESR) spectroscopy confirms that the majority of Ag is present in the diamagnetic Ag 1+ form, with the minor concentration (∼0.1% of total Ag) present as Ag 2+ . The findings by XPS and ESR are confirmed by the XRD, UV-vis spectroscopy and thermodynamic considerations. The supported Ag is highly dispersed on the surface of the titania support, with the particle size of ∼30-60 A depending on Ag content, with an Ag specific surface area of ∼7-14 m 2 /g, vs. the total surface area of ∼114-58 m 2 /g.

The phase diagram of annealed Ge(111)/Ga

DEFF Research Database (Denmark)

Molinàs-Mata, P.; Böhringer, M.; Artacho, E.

1995-01-01

A study of the annealed phases of Ge(111)/Ga for coverages above 0.05 ML is presented. The surfaces are investigated by low-energy electron diffraction, scanning tunneling microscopy, and partly by photoemission and surface X-ray diffraction using synchrotron radiation. For Ga coverages beyond 0....

AGS - The ISR computer program for synchrotron design, orbit analysis and insertion matching

International Nuclear Information System (INIS)

Keil, E.; Marti, Y.; Montague, B.W.; Sudboe, A.

1975-01-01

This is a detailed guide to the use of the current version of a FORTRAN program for carrying out computations required in the design or modification of alternating-gradient synchrotrons and storage rings. The program, which runs on the CDC 7600 computer at CERN, computes linear transformation functions, and modifications of parameters to achieve specified properties; it tracks sets of particle trajectories, finds closed orbits when elements of the structure are displaced, computes the equilibrium orbit, designs closed-orbit bumps, tracks betatron functions through the structure, and matches insertions in the structure to specified betatron and dispersion functions. The report supersedes CERN 69-5 (AGS - The ISR computer system for synchrotron design and orbit analysis, by E. Keil and P. Strolin). (Author)

Thermal switching of the electrical conductivity of Si(111)([Formula

DEFF Research Database (Denmark)

Wells, J W; Kallehauge, Jesper; Hofmann, Ph

2007-01-01

The temperature-dependent surface conductivity of the Si(111)([Formula: see text])Ag surface was measured using a microscopic four-point probe. The conductivity was found to undergo a sharp increase of about three orders of magnitude when the system was heated above about 220 K. This strong...... conductivity change is reversible and attributed to the phase transition which is generally believed to occur on this surface. It is also shown that, in order to find the true surface conductivity, it is necessary to separate it from the contribution of the bulk and space charge layer. In this work......, this is achieved by using a finite-element model. A percolating network of Ag islands on Si(111) was also studied and a much simpler behaviour (compared to that of Si(111)([Formula: see text])Ag) was found. The temperature-dependent conductivity of this system was found to display typical metallic behaviour...

Photoconductivities from band states and a dissipative electron dynamics: Si(111) without and with adsorbed Ag clusters

International Nuclear Information System (INIS)

Vazhappilly, Tijo; Hembree, Robert H.; Micha, David A.

2016-01-01

A new general computational procedure is presented to obtain photoconductivities starting from atomic structures, combining ab initio electronic energy band states with populations from density matrix theory, and implemented for a specific set of materials based on Si crystalline slabs and their nanostructured surfaces without and with adsorbed Ag clusters. The procedure accounts for charge mobility in semiconductors in photoexcited states, and specifically electron and hole photomobilities at Si(111) surfaces with and without adsorbed Ag clusters using ab initio energy bands and orbitals generated from a generalized gradient functional, however with excited energy levels modified to provide correct bandgaps. Photoexcited state populations for each band and carrier type were generated using steady state solution of a reduced density matrix which includes dissipative medium effects. The present calculations provide photoexcited electronic populations and photoinduced mobilities resulting from applied electric fields and obtained from the change of driven electron energies with their electronic momentum. Extensive results for Si slabs with 8 layers, without and with adsorbed Ag clusters, show that the metal adsorbates lead to substantial increases in the photomobility and photoconductivity of electrons and holes

RHEED studies of the nucleation, growth, and mobility of Ag atoms on the Si(111)7 x 7 surface

International Nuclear Information System (INIS)

Roos, K.R.

1993-07-01

The low temperature and flux dependent growth of ultrathin Ag films on the Si(111)7x7 surface is studied with Reflection High-Energy Electron Diffraction (RHEED). The grazing incidence geometry of RHEED allows for an incident molecular beam normal to the surface, and makes it an ideal surface probe for studying ultrathin film growth in real time. Short-lived oscillations in the diffracted intensity are observed during Ag deposition at 150 K, indicating quasi-layer-by-layer growth mediated by adatom mobility. When the 150 K growth is performed over a wide range of deposition rates F, the peak intensity is observed to scale, i.e. I(Ft) depends only on the total amount deposited, which implies thermally activated diffusion is absent at 150 K. Scaling is not obeyed at higher temperatures (T≥473 K) for the growth of the √3x√3 R30 degrees (√3) superstructure. Testing for scaling of the diffracted intensity constitutes a new experimental method which can be applied generally to determine if thermal diffusion is active at a particular temperature. Scaling is consistent with a constant diffusion length R 0 , independent of substrate temperature and deposition rate. The presence of a non-thermal diffusion mechanism (responsible for the constant diffusion length R 0 ) is confirmed by monitoring the flux dependence of the √3 superstructure growth during deposition at T≥473 K. At these temperatures the total diffusion length R is given by R=R 0 +(4Dt) 1/2 , where (4Dt) 1/2 is the thermal component. A non-zero intercept R 0 is found by plotting the peak intensity I p 1/2 (a measure of the average domain size) vs. deposition rate F -1/2 (F -1 is proportional to the available diffusion time.) From the FWHM of a low coverage (0.2 ML) √3 spot, an estimation of 50 angstrom is made for a lower bound of the magnitude of R 0

Determination of the bonding of alkyl monolayers to the Si(111) surface using chemical-shift, scanned-energy photoelectron diffraction

Energy Technology Data Exchange (ETDEWEB)

Terry, J.; Linford, M.R.; Wigren, C.; Cao, R.; Pianetta, P.; Chidsey, C.E. [Stanford University, Stanford, California 94309 (United States)

1997-08-01

The bonding of alkyl monolayers to Si(111) surfaces has been studied by conventional x-ray photoelectron spectroscopy (XPS) and chemical-shift, scanned-energy photoelectron diffraction (PED) using synchrotron radiation. Two very different wet-chemical methods have been used to prepare the alkyl monolayers: (i) olefin insertion into the H{endash}Si bond on the H{endash}Si(111) surface, and (ii) replacement of Cl on the Cl{endash}Si(111) surface by an alkyl group from an alkyllithium reagent. In both cases, XPS has revealed a C 1s signal chemically shifted to lower binding energy, which we have assigned to carbon bonded to silicon. PED has shown that both preparative methods result in carbon bonded in an atop site with the expected C{endash}Si bond length of 1.85{plus_minus}0.05{Angstrom}. Chemical-shift, scanned-energy photoelectron diffraction is a particularly valuable probe of local structure at surfaces that contain the same element in multiple, chemically distinct environments. {copyright} {ital 1997 American Institute of Physics.}

Determination of the bonding of alkyl monolayers to the Si(111) surface using chemical-shift, scanned-energy photoelectron diffraction

International Nuclear Information System (INIS)

Terry, J.; Linford, M.R.; Wigren, C.; Cao, R.; Pianetta, P.; Chidsey, C.E.

1997-01-01

The bonding of alkyl monolayers to Si(111) surfaces has been studied by conventional x-ray photoelectron spectroscopy (XPS) and chemical-shift, scanned-energy photoelectron diffraction (PED) using synchrotron radiation. Two very different wet-chemical methods have been used to prepare the alkyl monolayers: (i) olefin insertion into the H endash Si bond on the H endash Si(111) surface, and (ii) replacement of Cl on the Cl endash Si(111) surface by an alkyl group from an alkyllithium reagent. In both cases, XPS has revealed a C 1s signal chemically shifted to lower binding energy, which we have assigned to carbon bonded to silicon. PED has shown that both preparative methods result in carbon bonded in an atop site with the expected C endash Si bond length of 1.85±0.05 Angstrom. Chemical-shift, scanned-energy photoelectron diffraction is a particularly valuable probe of local structure at surfaces that contain the same element in multiple, chemically distinct environments. copyright 1997 American Institute of Physics

Growth of ultra-thin Ag films on Ni(111)

Energy Technology Data Exchange (ETDEWEB)

Meyer, Axel; Flege, Jan Ingo; Falta, Jens [Institute of Solid State Physics, University of Bremen, 28359 Bremen (Germany); Senanayake, Sanjaya [Chemistry Department, Brookhaven National Laboratory, Upton, NY 11973-5000 (United States); Alamgir, Faisal [Georgia Institute of Technology, Atlanta, GA 30332-0245 (United States)

2009-07-01

The physical and chemical properties of ultra-thin metal films on metallic substrates strongly depend on their morphology and the structure of the buried interface. Hence, detailed knowledge of the growth mechanisms is essential for the creation of new functional materials with novel characteristics. In this contribution, we present a comprehensive structural study of the growth and properties of epitaxial Ag films on Ni(111) by in-situ low energy electron microscopy (LEEM). For lower temperatures, the growth of the Ag film proceeds in a Stranski-Krastanov mode after completion of the wetting layer, while for higher temperatures layer-by-layer growth is observed. Quantitative information about the film structure were obtained by analyzing the intensity-voltage (I-V) dependence of the local electron reflectivity (IV-LEEM). The corresponding I(V) spectra showed intensity oscillations depending on local thickness of the Ag film due to the quantum size effect (QSE). Modeling of the I(V) spectra was performed both within the framework of a one-dimensional Kronig-Penney model and multiple scattering IV-LEED calculations. The results of both approaches concerning the variation of the layer spacings and interface characteristics for different temperatures and film thicknesses will be discussed.

In situ analyses of Ag speciation in tissues of cucumber and wheat using synchrotron-based X-ray absorption spectroscopy

Data.gov (United States)

U.S. Environmental Protection Agency — In situ analyses of Ag speciation in tissues of cucumber and wheat using synchrotron-based X-ray absorption spectroscopy showing spectral fitting and linear...

The adsorption geometry of PTCDA on Ag(111). An NIXSW study

Energy Technology Data Exchange (ETDEWEB)

Hauschild, Annegret

2007-12-14

The bonding lengths of a large pi-conjugated molecule which was adsorbed on a metal surface were determined for the first molecular layer. The system consisting of the organic molecules 3,4,9,10-Perylenetetracarboxylic dianhydride (PTCDA) grown on a silver(111) surface was investigated. PTCDA on Ag(111) appears in two phases in the first layer: The commensurate long range ordered monolayer at room temperature (RT phase) is a stable phase, whereas the disordered phase which is grown at temperatures below 160 K (LT phase) is a metastable phase. The bonding distance of the molecules from the surface is an indication for the bonding strength. Distortions of the molecules from the planar geometry give additional information on the bonding mechanism. Using NIXSW, the vertical distance of the molecules was investigated by the core-level C1s transition. Since carbon is the main element of the molecules, its vertical distance corresponds to the averaged molecular distance. Furthermore, the distances of the oxygen atoms of the molecules were determined by using the O1s transition. In the molecule, two types of chemically different oxygen atoms exist: the four outer carboxylic oxygen atoms and the two inner anhydride oxygen atoms. For the first time, this chemical shift of one atom sort within a molecule was utilized for a separation of the photoemission spectra which were taken in a standing wave experiment. Within this work, different vertical positions for atoms of the same element could be identified. For the RT phase an average molecular bonding distance of 2.86 A was measured. For the LT phase the corresponding value is 2.80 A. Thus, the molecules in the LT phase are 0.06 A closer to the Ag surface than the molecules in the RT phase, this result clearly is significant. In the LT phase, a stronger intramolecular distortion was observed, the oxygen atoms lie 0.14 A below the carbon core, whereas the molecules in the RT phase do not exhibit such a strong distortion, the

Growth mechanism and surface atomic structure of AgInSe{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Pena Martin, Pamela; Rockett, Angus A.; Lyding, Joseph [Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, 1304 W. Green St., Urbana, Illinois 61801 (United States); Department of Electrical and Computer Engineering and the Beckman Institute, University of Illinois at Urbana-Champaign, 405 N. Matthews St., Urbana, Illinois 61801 (United States)

2012-07-15

The growth of (112)A-oriented AgInSe{sub 2} on GaAs (111)A and its surface reconstruction were studied by scanning tunneling microscopy, atomic force microscopy, and other techniques. Films were grown by a sputtering and evaporation method. Topographic STM images reveal that the film grew by atomic incorporation into surface steps resulting from screw dislocations on the surface. The screw dislocation density was {approx}10{sup 10} cm{sup 2}. Atomically resolved images also show that the surface atomic arrangement appears to be similar to that of the bulk, with a spacing of 0.35-0.41 nm. There is no observable reconstruction, which is unexpected for a polar semiconductor surface.

Diffusion of single Au, Ag and Cu atoms inside Si(111)-(7 × 7) half unit cells: A comparative study

Energy Technology Data Exchange (ETDEWEB)

Liu, Qin [Department of Physics, Southern University of Science and Technology, Shenzhen, Guangdong 518055 (China); Department of Physics, The Chinese University of Hong Kong, Shatin, New Territory, Hong Kong (China); Science and Technology on Surface Physics and Chemistry Laboratory, Mianyang, Sichuan 621908 (China); Fu, Qiang [Institut für Physik and IRIS Adlershof, Humboldt-Universität zu Berlin, Zum Großen Windkanal 6, 12489 Berlin (Germany); Shao, Xiji; Ma, Xuhang; Wu, Xuefeng [Department of Physics, Southern University of Science and Technology, Shenzhen, Guangdong 518055 (China); Wang, Kedong, E-mail: wangkd@sustc.edu.cn [Department of Physics, Southern University of Science and Technology, Shenzhen, Guangdong 518055 (China); Xiao, Xudong, E-mail: xdxiao@phy.cuhk.edu.hk [Department of Physics, The Chinese University of Hong Kong, Shatin, New Territory, Hong Kong (China)

2017-04-15

Highlights: • Diffusions of Au, Ag and Cu atoms in the half unit cells of Si(111)-(7×7) have been studied by using a STM-based I-t method. • Despite their similar absorption sites, the diffusion dynamics show obvious differences between Ag and the other two. • Theoretical calculations suggest that different potential energy profiles are responsible for the observed differences. - Abstract: The diffusion behaviors of single Au, Ag and Cu atoms on Si(111)-(7 × 7) half unit cells have been investigated via combining scanning tunneling microscopy and first-principles calculations. Despite the similar adsorption sites between both half unit cells among these elements, the diffusion dynamics show obvious differences between Ag and the other two. Although obvious asymmetry has been found in the diffusion behaviors of Au and Cu atoms in two half unit cells of Si(111)-(7 × 7), the asymmetry behaves in a way different from that of Ag atoms and no dual-time character has been observed for the diffusions of Au and Cu in both half unit cells. Theoretical calculations suggest a different potential energy profile caused by the stronger hybridization between d states of Au (Cu) and Si states make the concept of basin useless for the diffusion of Au and Cu atoms inside the half unit cells of Si(111)-(7 × 7).

Superconducting properties of Pb nanoislands on Pb/Ag/Si(111) studied by a "3He-cooled scanning tunnelling microscope in magnetic fields at variable temperatures

International Nuclear Information System (INIS)

Leon Vanegas, Alvaro Augusto

2015-01-01

A "3He-cooled scanning tunneling microscope was used to investigate the superconducting properties of Pb single layers on Si(111) and Ag/Si(111) and Pb islands on Pb/Ag/Si(111) at temperatures between 0.38 K and 6 K and in magnetic fields of up to 3 T. The spectroscopy measurements show that in contrast with Pb/Si(111), a single Pb layer on Ag/Si(111) is non-superconducting. The superconductivity of Pb islands on Pb/Ag/Si(111) was characterized as a function of temperature and magnetic field. A non-uniform critical magnetic field for suppression of superconductivity on islands of uniform thickness but sitting of regions of different height is reported. The proximity induced superconductivity on the wetting layer surrounding a Pb island on Pb/Ag/Si(111) was studied. Spatially resolved, magnetic field dependent spectroscopy uncovers a non-trivial reduction of the extension of the induced superconductivity with increasing field. A breakdown of the proximity effect for fields larger than 0.5 T is found. Tunneling spectroscopy reveals a strong decrease of the proximity length with increasing temperature. This is ascribed to the thermally induced broadening of the electronic density of states in the tip used in the STM experiment.

Probing Surface-Adlayer Conjugation on Organic-Modified Si(111) Surfaces with Microscopy, Scattering, Spectroscopy, and Density Functional Theory

International Nuclear Information System (INIS)

Kellar, Joshua A.; Lin, Jui-Ching; Kim, Jun-Hyun; Yoder, Nathan L.; Bevan, Kirk H.; Stokes, Grace Y.; Geiger, Franz M.; Nguyen, SonBinh T.; Bedzyk, Michael J.; Hersam, Mark C.

2009-01-01

Highly conjugated molecules bound to silicon are promising candidates for organosilicon electronic devices and sensors. In this study, 1-bromo-4-ethynylbenzene was synthesized and reacted with a hydrogen-passivated Si(111) surface via ultraviolet irradiation. Through an array of characterization and modeling tools, the binding configuration and morphology of the reacted molecule were thoroughly analyzed. Atomic force microscopy confirmed an atomically flat surface morphology following reaction, while X-ray photoelectron spectroscopy verified reaction to the surface via the terminal alkyne moiety. In addition, synchrotron X-ray characterization, including X-ray reflectivity, X-ray fluorescence, and X-ray standing wave measurements, enabled sub-angstrom determination of the position of the bromine atom with respect to the silicon lattice. This structural characterization was quantitatively compared with density functional theory (DFT) calculations, thus enabling the π-conjugation of the terminal carbon atoms to be deduced. The X-ray and DFT results were additionally corroborated with the vibrational spectrum of the organic adlayer, which was measured with sum frequency generation. Overall, these results illustrate that the terminal carbon atoms in 1-bromo-4-ethynylbenzene adlayers on Si(111) retain π-conjugation, thus revealing alkyne molecules as promising candidates for organosilicon electronics and sensing.

Production of radioactivity in local soil at AGS [Alternating Gradient Synchrotron] fast neutrino beam

International Nuclear Information System (INIS)

Gollon, P.J.; Rohrig, N.; Hauptmann, M.G.; McIntyre, K.; Miltenberger, R.; Naidu, J.

1989-10-01

Brookhaven National Laboratory (BNL) has constructed a new neutrino production target station at the Alternating Gradient Synchrotron (AGS). A study has been conducted in the vicinity of the old target area to determine the radiological consequences of operating this experimental facility. Results from all areas of the study are presented along with estimates of the potential environmental impact of the old and new facilities. 12 refs., 15 figs., 3 tabs

RHEED studies of the nucleation, growth, and mobility of Ag atoms on the Si(111)7 x 7 surface

Energy Technology Data Exchange (ETDEWEB)

Roos, Kelly Ryan [Iowa State Univ., Ames, IA (United States)

1993-07-01

The low temperature and flux dependent growth of ultrathin Ag films on the Si(111)7x7 surface is studied with Reflection High-Energy Electron Diffraction (RHEED). The grazing incidence geometry of RHEED allows for an incident molecular beam normal to the surface, and makes it an ideal surface probe for studying ultrathin film growth in real time. Short-lived oscillations in the diffracted intensity are observed during Ag deposition at 150 K, indicating quasi-layer-by-layer growth mediated by adatom mobility. When the 150 K growth is performed over a wide range of deposition rates F, the peak intensity is observed to scale, i.e. I(Ft) depends only on the total amount deposited, which implies thermally activated diffusion is absent at 150 K. Scaling is not obeyed at higher temperatures (T≥473 K) for the growth of the √3x√3 R30° (√3) superstructure. Testing for scaling of the diffracted intensity constitutes a new experimental method which can be applied generally to determine if thermal diffusion is active at a particular temperature. Scaling is consistent with a constant diffusion length R₀, independent of substrate temperature and deposition rate. The presence of a non-thermal diffusion mechanism (responsible for the constant diffusion length R₀) is confirmed by monitoring the flux dependence of the √3 superstructure growth during deposition at T≥473 K. At these temperatures the total diffusion length R is given by R=R₀+(4Dt)^1/2, where (4Dt)^1/2 is the thermal component. A non-zero intercept R₀ is found by plotting the peak intensity I_p^1/2 (a measure of the average domain size) vs. deposition rate F^-1/2 (F^-1 is proportional to the available diffusion time.) From the FWHM of a low coverage (0.2 ML) √3 spot, an estimation of 50 Å is made for a lower bound of the magnitude of R₀.

DESIGN OF A THIN QUADRUPOLE TO BE USED IN THE AGS SYNCHROTRON

Energy Technology Data Exchange (ETDEWEB)

TSOUPAS,N.; AHRENS, L.; ALFORQUE, R.; BAI, M.; BROWN, K.; COURANT, E.; ET AL.

2007-06-25

The Alternating Gradient Synchrotron (AGS) employs two partial helical snakes[l] to preserve the polarization of the proton beam during acceleration. In order to compensate for the focusing effect of the partial helical snakes on the beam optics in the AGS during acceleration of the beam, we introduced eight quadrupoles in straight sections of the AGS at the proximity of the partial snakes. At injection energies, the strength of each quad is set at a high value, and is ramped down to zero as the effect of the snakes diminishes by the square of beam's rigidity. Four of the eight compensation quadrupoles had to be placed in very short straight sections -30 cm in length, therefore the quadruples had be thin with an overall length of less than 30 cm. In this paper we will discus: (a) the mechanical and magnetic specifications of the ''thin'' quadrupole. (b) the method to minimize the strength of the dodecapole harmonic, (c) the method to optimize the thickness of the laminations that the magnet iron is made, (d) mechanical tolerances of the magnet, (e) comparison of the measured and calculated magnetic multipoles of the quadrupole.

HNO₃-assisted polyol synthesis of ultralarge single-crystalline Ag microplates and their far propagation length of surface plasmon polariton.

Science.gov (United States)

Chang, Cheng-Wei; Lin, Fan-Cheng; Chiu, Chun-Ya; Su, Chung-Yi; Huang, Jer-Shing; Perng, Tsong-Pyng; Yen, Ta-Jen

2014-07-23

We developed a HNO3-assisted polyol reduction method to synthesize ultralarge single-crystalline Ag microplates routinely. The edge length of the synthesized Ag microplates reaches 50 μm, and their top facets are (111). The mechanism for dramatically enlarging single-crystalline Ag structure stems from a series of competitive anisotropic growths, primarily governed by carefully tuning the adsorption of Ag(0) by ethylene glycol and the desorption of Ag(0) by a cyanide ion on Ag(100). Finally, we measured the propagation length of surface plasmon polaritons along the air/Ag interface under 534 nm laser excitation. Our single-crystalline Ag microplate exhibited a propagation length (11.22 μm) considerably greater than that of the conventional E-gun deposited Ag thin film (5.27 μm).

Substrate effects on the formation of flat Ag films on (110) surfaces of III-V compound semiconductors

International Nuclear Information System (INIS)

Chao, K.; Zhang, Z.; Ebert, P.; Shih, C.K.

1999-01-01

Ag films grown at 135 K on (110) surfaces of III-V compound semiconductors and annealed at room temperature are investigated by scanning tunneling microscopy and low-energy electron diffraction. Ag films on Ga-V semiconductors are well ordered, atomically flat, and exhibit a specific critical thickness, which is a function of the substrate material. Films grown on In-V semiconductors are still rather flat, but significantly more disordered. The (111) oriented Ag films on III-arsenides and III-phosphides exhibit a clear twofold superstructure. Films on III-antimonides exhibit threefold low-energy electron diffraction images. The morphology of the Ag films can be explained on the basis of the electronic growth mechanism. copyright 1999 The American Physical Society

Role of physisorption states in molecular scattering: a semilocal density-functional theory study on O2/Ag(111).

Science.gov (United States)

Goikoetxea, I; Meyer, J; Juaristi, J I; Alducin, M; Reuter, K

2014-04-18

We simulate the scattering of O2 from Ag(111) with classical dynamics simulations performed on a six-dimensional potential energy surface calculated within semilocal density-functional theory. The enigmatic experimental trends that originally required the conjecture of two types of repulsive walls, arising from a physisorption and chemisorption part of the interaction potential, are fully reproduced. Given the inadequate description of the physisorption properties in semilocal density-functional theory, our work casts severe doubts on the prevalent notion to use molecular scattering data as indirect evidence for the existence of such states.

Superconducting properties of Pb nanoislands on Pb/Ag/Si(111) studied by a {sup 3}He-cooled scanning tunnelling microscope in magnetic fields at variable temperatures

Energy Technology Data Exchange (ETDEWEB)

Leon Vanegas, Alvaro Augusto

2015-02-26

A {sup 3}He-cooled scanning tunneling microscope was used to investigate the superconducting properties of Pb single layers on Si(111) and Ag/Si(111) and Pb islands on Pb/Ag/Si(111) at temperatures between 0.38 K and 6 K and in magnetic fields of up to 3 T. The spectroscopy measurements show that in contrast with Pb/Si(111), a single Pb layer on Ag/Si(111) is non-superconducting. The superconductivity of Pb islands on Pb/Ag/Si(111) was characterized as a function of temperature and magnetic field. A non-uniform critical magnetic field for suppression of superconductivity on islands of uniform thickness but sitting of regions of different height is reported. The proximity induced superconductivity on the wetting layer surrounding a Pb island on Pb/Ag/Si(111) was studied. Spatially resolved, magnetic field dependent spectroscopy uncovers a non-trivial reduction of the extension of the induced superconductivity with increasing field. A breakdown of the proximity effect for fields larger than 0.5 T is found. Tunneling spectroscopy reveals a strong decrease of the proximity length with increasing temperature. This is ascribed to the thermally induced broadening of the electronic density of states in the tip used in the STM experiment.

Evidence for graphite-like hexagonal AlN nanosheets epitaxially grown on single crystal Ag(111)

Energy Technology Data Exchange (ETDEWEB)

Tsipas, P.; Kassavetis, S.; Tsoutsou, D.; Xenogiannopoulou, E.; Golias, E.; Giamini, S. A.; Dimoulas, A. [National Center for Scientific Research “Demokritos,” 15310 Athens (Greece); Grazianetti, C.; Fanciulli, M. [Laboratorio MDM, IMM-CNR, I-20864, Agrate Brianza (MB) (Italy); Dipartimento di Scienza dei Materiali, Università degli Studi di Milano Bicocca, I-20126, Milano (Italy); Chiappe, D.; Molle, A. [Laboratorio MDM, IMM-CNR, I-20864, Agrate Brianza (MB) (Italy)

2013-12-16

Ultrathin (sub-monolayer to 12 monolayers) AlN nanosheets are grown epitaxially by plasma assisted molecular beam epitaxy on Ag(111) single crystals. Electron diffraction and scanning tunneling microscopy provide evidence that AlN on Ag adopts a graphite-like hexagonal structure with a larger lattice constant compared to bulk-like wurtzite AlN. This claim is further supported by ultraviolet photoelectron spectroscopy indicating a reduced energy bandgap as expected for hexagonal AlN.

Studies on the preparation of 109Pd and 111Ag by (n,γ) reactions on natural palladium for possible applications in radionuclide therapy

International Nuclear Information System (INIS)

Vimalnath, K.V.; Chirayil, Viju; Saha, Sujata

2007-01-01

Natural palladium on neutron activation provided two radionuclides viz 111 Ag and 109 Pd with attractive nuclear properties for use in radionuclide therapy applications in nuclear medicine. 109 Pd (t 1/2 13.7h, E βmax 1.03MeV) was produced by neutron activation of 108 Pd, while in the same target 111 Ag (t 1/2 7.45d, E βmax 1.04MeV) is formed by the beta decay of co-produced radioactive 111 Pd. Measured samples of palladium foils were neutron irradiated in Dhruva reactor for 7d at a flux of 9 x 10 13 n.cm -2 .s -1 . Radioactive palladium and silver were separated by ion-exchange chromatography over Dowex 1x8, 200-400 mesh size anion exchanger column. Radiochemical mixture of palladium and silver loaded in 10M HCl acid medium showed retention of palladium, while silver eluted out freely. The separated radionuclidically pure fractions of 109 Pd and 111 Ag activity were reconstituted as chloride and nitrate solutions respectively. About 133 GBq 109 Pd and 930 MBq of 111 Ag activity were produced from 100mg palladium. (author)

Site-specific dissociation dynamics of H2/D2 on Ag(111) and Co(0001) and the validity of the site-averaging model

International Nuclear Information System (INIS)

Hu, Xixi; Jiang, Bin; Xie, Daiqian; Guo, Hua

2015-01-01

Dissociative chemisorption of polyatomic molecules on metal surfaces involves high-dimensional dynamics, of which quantum mechanical treatments are computationally challenging. A promising reduced-dimensional approach approximates the full-dimensional dynamics by a weighted average of fixed-site results. To examine the performance of this site-averaging model, we investigate two distinct reactions, namely, hydrogen dissociation on Co(0001) and Ag(111), using accurate first principles potential energy surfaces (PESs). The former has a very low barrier of ∼0.05 eV while the latter is highly activated with a barrier of ∼1.15 eV. These two systems allow the investigation of not only site-specific dynamical behaviors but also the validity of the site-averaging model. It is found that the reactivity is not only controlled by the barrier height but also by the topography of the PES. Moreover, the agreement between the site-averaged and full-dimensional results is much better on Ag(111), though quantitative in neither system. Further quasi-classical trajectory calculations showed that the deviations can be attributed to dynamical steering effects, which are present in both reactions at all energies

Simulation of misfit dislocation loops at the Ag/Cu(111) interface

International Nuclear Information System (INIS)

Rasmussen, Torben

2000-01-01

Molecular dynamics simulations combined with the nudged elastic band method for finding transition states and corresponding activation energies are used to study mechanisms of nucleation, growth, and motion of misfit dislocation loops at the Ag/Cu(111) interface. A variety of mechanisms involving concerted motion of several atoms are identified. Nucleation has the highest activation energy, ∼1eV. Growth and motion of the loops have activation energies in the range 0.3--0.7eV

Surface modification of fluorocarbon polymers by synchrotron radiation

CERN Document Server

Kanda, K; Matsui, S; Ideta, T; Ishigaki, H

2003-01-01

The surface modification of a poly (tetrafluoroethylene) sheet was carried out by synchrotron radiation in the soft X-ray region. The poly (tetrafluoroethylene) substrate was exposed to synchrotron radiation while varying the substrate temperature from room temperature to 200degC. The contact angle of the modified surfaces with a water drop decreased from 96deg to 72deg by the irradiation at room temperature, while the contact angle increased to 143deg by the irradiation at the substrate temperature of 200degC. Scanning electron microscopy suggested that this repellence was ascribable to the microstructure of the poly (tetrafluoroethylene) surface. We succeeded in controlling the wettability of the poly (tetrafluoroethylene) surface from hydrophobic to hydrophilic by irradiation of the soft X-ray light. (author)

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.

A perfect wetting of Mg monolayer on Ag(111) under atomic scale investigation: First principles calculations, scanning tunneling microscopy, and Auger spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Migaou, Amani; Guiltat, Mathilde; Payen, Kevin; Landa, Georges; Hémeryck, Anne, E-mail: anne.hemeryck@laas.fr [LAAS-CNRS, Université de Toulouse, CNRS, UPS, Toulouse (France); Sarpi, Brice; Daineche, Rachid; Vizzini, Sébastien [Aix Marseille University, IM2NP, Fac Sci St. Jérôme, F-13397 Marseille (France)

2016-05-21

First principles calculations, scanning tunneling microscopy, and Auger spectroscopy experiments of the adsorption of Mg on Ag(111) substrate are conducted. This detailed study reveals that an atomic scale controlled deposition of a metallic Mg monolayer perfectly wets the silver substrate without any alloy formation at the interface at room temperature. A liquid-like behavior of the Mg species on the Ag substrate is highlighted as no dot formation is observed when coverage increases. Finally a layer-by-layer growth mode of Mg on Ag(111) can be predicted, thanks to density functional theory calculations as observed experimentally.

Site-specific dissociation dynamics of H{sub 2}/D{sub 2} on Ag(111) and Co(0001) and the validity of the site-averaging model

Energy Technology Data Exchange (ETDEWEB)

Hu, Xixi [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093 (China); Jiang, Bin [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Department of Chemical Physics, University of Science and Technology of China, Hefei 230026 (China); Xie, Daiqian, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Guo, Hua, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States)

2015-09-21

Dissociative chemisorption of polyatomic molecules on metal surfaces involves high-dimensional dynamics, of which quantum mechanical treatments are computationally challenging. A promising reduced-dimensional approach approximates the full-dimensional dynamics by a weighted average of fixed-site results. To examine the performance of this site-averaging model, we investigate two distinct reactions, namely, hydrogen dissociation on Co(0001) and Ag(111), using accurate first principles potential energy surfaces (PESs). The former has a very low barrier of ∼0.05 eV while the latter is highly activated with a barrier of ∼1.15 eV. These two systems allow the investigation of not only site-specific dynamical behaviors but also the validity of the site-averaging model. It is found that the reactivity is not only controlled by the barrier height but also by the topography of the PES. Moreover, the agreement between the site-averaged and full-dimensional results is much better on Ag(111), though quantitative in neither system. Further quasi-classical trajectory calculations showed that the deviations can be attributed to dynamical steering effects, which are present in both reactions at all energies.

AGS intensity record

International Nuclear Information System (INIS)

Bleser, Ed

1994-01-01

As flashed in the September issue, this summer the Brookhaven Alternating Gradient Synchrotron (AGS) reached a proton beam intensity of 4.05 x 10 13 protons per puise, claimed as the highest intensity ever achieved in a proton synchrotron. It is, however, only two-thirds of the way to its final goal of 6 x 10 13 . The achievement is the resuit of many years of effort. The Report of the AGS II Task Force, issued in February 1984, laid out a comprehensive programme largely based on a careful analysis of the PS experience at CERN. The AGS plan had two essential components: the construction of a new booster, and major upgrades to the AGS itself.

Carbon monoxide oxidation on bimetallic Ru/Au(111 surfaces

Directory of Open Access Journals (Sweden)

ROLF-JÜRGEN BEHM

2001-02-01

Full Text Available The electrochemical deposition of Ru on Au(111 was performed in 0.5 M H2SO4+10-4 M RuCl3 . The obtained bimetallic Ru/Au(111 surfaces were character-ised by cyclic voltammetry and in situ STM in 0.5 MH2SO4. The Ru deposit consists of nanoscale islands, which merge with increasing coverage. Two different types of bimetallic Ru/Au(111 surfaces with respect to the distribution of Ru islands over the Au(111 substrate surface were obtained. When the deposition was performed at potentials more positive than the range of Au(111 reconstruction, homogeneous nucleation occured resulting in a random distribution of Ru islands. When the deposition was performed on reconstructed Au(111 at low overpotentials, selective nucleation occured resulting in the replication of the Au(111 reconstruction. Only at higher deposition overpotentials, can multilayer deposits be formed, which exhibit a very rough surface morphology. The electrocatalytic activity of such structurally well defined Ru/Au(111 bimetallic surfaces was studied towards CO oxidation with the Ru coverage ranging from submonolayer to several monolayer. COstripping commences at about 0.2 Vand occurs over a broad potential range. The observed influence of the Ru structure on the CO stripping voltammetry is explained by local variations in the COadsorption energy, caused by differences in the local Ru structure and by effects induced by the Au(111 substrate.

Surface Chemistry Involved in Epitaxy of Graphene on 3C-SiC(111/Si(111

Directory of Open Access Journals (Sweden)

Abe Shunsuke

2010-01-01

Full Text Available Abstract Surface chemistry involved in the epitaxy of graphene by sublimating Si atoms from the surface of epitaxial 3C-SiC(111 thin films on Si(111 has been studied. The change in the surface composition during graphene epitaxy is monitored by in situ temperature-programmed desorption spectroscopy using deuterium as a probe (D2-TPD and complementarily by ex situ Raman and C1s core-level spectroscopies. The surface of the 3C-SiC(111/Si(111 is Si-terminated before the graphitization, and it becomes C-terminated via the formation of C-rich (6√3 × 6√3R30° reconstruction as the graphitization proceeds, in a similar manner as the epitaxy of graphene on Si-terminated 6H-SiC(0001 proceeds.

Manipulation resolves non-trivial structure of corrole monolayer on Ag(111)

International Nuclear Information System (INIS)

Tebi, Stefano; Serrano, Giulia; Koch, Reinhold; Müllegger, Stefan; Aldahhak, Hazem; Rauls, Eva; Schmidt, Wolf Gero; Schöfberger, Wolfgang

2016-01-01

Non-trivial arrangement of molecules within a molecular network complicates structure determination due to interdigitation, partial overlap, or stacking. We demonstrate that combined imaging and lateral manipulation with a scanning tunneling microscope resolves the intricate structure of a molecular network in two-dimensions in a straightforward manner. The network, formed by a monolayer of 5,10,15-tris(pentafluorophenyl)-corrole molecules on Ag(111), is manipulated for the first time with single-molecule precision. Our results reveal a shingle-like packing of partially overlapping corrole molecules. Density functional theory calculations support our findings. (paper)

Silicon and Germanium (111) Surface Reconstruction

Science.gov (United States)

Hao, You Gong

Silicon (111) surface (7 x 7) reconstruction has been a long standing puzzle. For the last twenty years, various models were put forward to explain this reconstruction, but so far the problem still remains unsolved. Recent ion scattering and channeling (ISC), scanning tunneling microscopy (STM) and transmission electron diffraction (TED) experiments reveal some new results about the surface which greatly help investigators to establish better models. This work proposes a silicon (111) surface reconstruction mechanism, the raising and lowering mechanism which leads to benzene -like ring and flower (raised atom) building units. Based on these building units a (7 x 7) model is proposed, which is capable of explaining the STM and ISC experiment and several others. Furthermore the building units of the model can be used naturally to account for the germanium (111) surface c(2 x 8) reconstruction and other observed structures including (2 x 2), (5 x 5) and (7 x 7) for germanium as well as the (/3 x /3)R30 and (/19 x /19)R23.5 impurity induced structures for silicon, and the higher temperature disordered (1 x 1) structure for silicon. The model is closely related to the silicon (111) surface (2 x 1) reconstruction pi-bonded chain model, which is the most successful model for the reconstruction now. This provides an explanation for the rather low conversion temperature (560K) of the (2 x 1) to the (7 x 7). The model seems to meet some problems in the explanation of the TED result, which is explained very well by the dimer, adatom and stacking fault (DAS) model proposed by Takayanagi. In order to explain the TED result, a variation of the atomic scattering factor is proposed. Comparing the benzene-like ring model with the DAS model, the former needs more work to explain the TED result and the later has to find a way to explain the silicon (111) surface (1 x 1) disorder experiment.

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.

The electrochemical interface of Ag(111) in 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid—A combined in-situ scanning probe microscopy and impedance study

International Nuclear Information System (INIS)

Li, Mian-Gang; Chen, Li; Zhong, Yun-Xin; Chen, Zhao-Bin; Yan, Jia-Wei; Mao, Bing-Wei

2016-01-01

The electrochemical interface between Ag(111) and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (EMITFSI) has been investigated by in-situ scanning probe microscopy (SPM) and electrochemical impedance spectroscopy (EIS). In-situ scanning tunneling microscopy (STM) characterization has revealed that there is neither surface reconstruction nor strong adsorption of EMITFSI on Ag(111) surface so that EIS investigation can be fulfilled under well-defined surface condition and in the absence of pseudo capacitive process. In-situ atom force microscopy (AFM) force curve measurements further disclose that there exists five layered structures near and normal to the surface, among them three layered structures being charged and forming the electric double layer (EDL) of the interface. An electric equivalent circuit is proposed, which comprises two serial parallel branches involving the innermost layered structure and the next two layered structures in the EDL, respectively. The inner layer circuit is given by a constant phase element (CPE) in parallel to a resistor, while the outer layer circuit is given by a capacity in parallel with a resistor-Warburg element branch. Slow response is observed for the inner layer, which is attributed to the hindrance of reorientation and/or redistribution of ions in the more ordered and robust inner layer region. The inner layer capacitance and outer layer capacitance have opposing potential dependence, and the resultant double layer capacitance shows weak potential dependence.

Computational investigation of CO adsorbed on Aux, Agx and (AuAg)x nanoclusters (x = 1 - 5, 147) and monometallic Au and Ag low-energy surfaces*

Science.gov (United States)

Gould, Anna L.; Catlow, C. Richard A.; Logsdail, Andrew J.

2018-02-01

Density functional theory calculations have been performed to investigate the use of CO as a probe molecule for the determination of the structure and composition of Au, Ag and AuAg nanoparticles. For very small nanoclusters (x = 1 - 5), the CO vibrational frequencies can be directly correlated to CO adsorption strength, whereas larger 147-atom nanoparticles show a strong energetic preference for CO adsorption at a vertex position but the highest wavenumbers are for the bridge positions. We also studied CO adsorption on Au and Ag (100) and (111) surfaces, for a 1 monolayer coverage, which proves to be energetically favourable on atop only and bridge positions for Au (100) and atop for Ag (100); vibrational frequencies of the CO molecules red-shift to lower wavenumbers as a result of increased metal coordination. We conclude that CO vibrational frequencies cannot be solely relied upon in order to obtain accurate compositional analysis, but we do propose that elemental rearrangement in the core@shell nanoclusters, from Ag@Au (or Au@Ag) to an alloy, would result in a shift in the CO vibrational frequencies that indicate changes in the surface composition. Contribution to the Topical Issue "Shaping Nanocatalysts", edited by Francesca Baletto, Roy L. Johnston, Jochen Blumberger and Alex Shluger.Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjb/e2017-80280-7

Ballistic electron emission spectroscopy on Ag/Si devices

Energy Technology Data Exchange (ETDEWEB)

Bannani, A; Bobisch, C A; Matena, M; Moeller, R [Department of Physics, Center for Nanointegration Duisburg-Essen, University of Duisburg-Essen, 47048 Duisburg (Germany)], E-mail: amin.bannani@uni-due.de

2008-09-17

In this work we report on ballistic electron emission spectroscopy (BEES) studies on epitaxial layers of silver grown on silicon surfaces, with either a Si(111)-(7 x 7) or Si(100)-(2 x 1) surface reconstruction. The experiments were done at low temperature and in ultra-high vacuum (UHV). In addition, BEES measurements on polycrystalline Ag films grown on hydrogen-terminated H:Si(111)-(1 x 1) and H:Si(100)-(2 x 1) surfaces were performed. The Schottky barrier heights were evaluated by BEES. The results are compared to the values for the barrier height reported for macroscopic Schottky diodes. We show that the barrier heights for the epitaxial films substantially differ from the values measured on polycrystalline Ag films, suggesting a strong effect of the interface on the barrier height.

Thermal effect of Zn quantum dots grown on Si(111): competition between relaxation and reconstraint

Science.gov (United States)

Kao, Li-Chi; Huang, Bo-Jia; Zheng, Yu-En; Tu, Kai-Teng; Chiu, Shang-Jui; Ku, Ching-Shun; Lo, Kuang Yao

2018-01-01

Zn dots are potential solutions for metal contacts in future nanodevices. The metastable states that exist at the interface between Zn quantum dots and oxide-free Si(111) surfaces can suppress the development of the complete relaxation and increase the size of Zn dots. In this work, the actual heat consumption of the structural evolution of Zn dots resulting from extrinsic thermal effect was analyzed. Zn dots were coherently grown on oxide-free Si(111) through magnetron RF sputtering. A compensative optical method combined with reflective second harmonic generation and synchrotron x-ray diffraction (XRD) was developed to statistically analyze the thermal effect on the Zn dot system. Pattern matching (3 m) between the Zn and oxide-free Si(111) surface enabled Si(111) to constrain Zn dots from a liquid to solid phase. Annealing under vacuum induced smaller, loose Zn dots to be reconstrained by Si(111). When the size of the Zn dots was in the margin of complete relaxation, the Zn dot was partially constrained by potential barriers (metastable states) between Zn(111) and one of the six in-planes of Si〈110〉. The thermal disturbance exerted by annealing would enable partially constrained ZnO/Zn dots to overcome the potential barrier and be completely relaxed, which is obvious on the transition between Zn(111) and Zn(002) peak in synchrotron XRD. Considering the actual irradiated surface area of dots array in a wide-size distribution, the competition between reconstrained and relaxed Zn dots on Si(111) during annealing was statistically analyzed.

Development and trial measurement of synchrotron-radiation-light-illuminated scanning tunneling microscope

International Nuclear Information System (INIS)

Matsushima, Takeshi; Okuda, Taichi; Eguchi, Toyoaki; Ono, Masanori; Harasawa, Ayumi; Wakita, Takanori; Kataoka, Akira; Hamada, Masayuki; Kamoshida, Atsushi; Hasegawa, Yukio; Kinoshita, Toyohiko

2004-01-01

Scanning tunneling microscope (STM) study is performed under synchrotron-radiation-light illumination. The equipment is designed so as to achieve atomic resolution even under rather noisy conditions in the synchrotron radiation facility. By measuring photoexcited electron current by the STM tip together with the conventional STM tunneling current, Si 2p soft-x-ray absorption spectra are successfully obtained from a small area of Si(111) surface. The results are a first step toward realizing a new element-specific microscope

Organic adsorbates on metal surfaces. PTCDA and NTCDA on AG(110)

Energy Technology Data Exchange (ETDEWEB)

Abbasi, Afshin

2010-02-22

, the inclusion of the major part of the attractive van-der-Waals interaction brings the adsorbate back to an arrangement close to parallel to the substrate, with very small differences in height between the different subunits. With respect to experimental data obtained on Ag(111), the calculated distance between adsorbate and substrate is somewhat smaller, indicating that the open Ag(110) surface interacts more strongly with the organic compounds. This is consistent with the fact that only Ag(110) induces a brickwall unit cell of the adsorbate, a clear sign for a particularly large adsorption energy. The resulting model geometries are analysed in terms of cohesive energy, Mulliken charges, core level shifts, and vibrational properties. (orig.)

Supramolecular engineering through temperature-induced chemical modification of 2H-tetraphenylporphyrin on Ag(111): flat phenyl conformation and possible dehydrogenation reactions.

Science.gov (United States)

Di Santo, Giovanni; Blankenburg, Stephan; Castellarin-Cudia, Carla; Fanetti, Mattia; Borghetti, Patrizia; Sangaletti, Luigi; Floreano, Luca; Verdini, Alberto; Magnano, Elena; Bondino, Federica; Pignedoli, Carlo A; Nguyen, Manh-Thuong; Gaspari, Roberto; Passerone, Daniele; Goldoni, Andrea

2011-12-16

Scratching the surface: Formation of a monolayer of 2H-tetraphenylporphyrins (2H-TPP) on Ag(111), either by sublimation of a multilayer in the range 525-600 K or by annealing (at the same temperature) a monolayer deposited at room temperature, induces a chemical modification of the molecules. Rotation of the phenyl rings into a flat conformation is observed and tentatively explained, by using DFT calculations, as a peculiar reaction due to molecular dehydrogenation. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Near-surface and bulk behavior of Ag in SiC

International Nuclear Information System (INIS)

Xiao, H.Y.; Zhang, Y.; Snead, L.L.; Shutthanandan, V.; Xue, H.Z.; Weber, W.J.

2012-01-01

Highlights: ► Ag release from SiC poses problems in safe operation of nuclear reactors. ► Near-surface and bulk behavior of Ag are studied by ab initio and ion beam methods. ► Ag prefers to adsorb on the surface rather than in the bulk SiC. ► At high temperature Ag desorbs from the surface instead of diffusion into bulk SiC. ► Surface diffusion may be a dominating mechanism accounting for Ag release from SiC. - Abstract: The diffusive release of fission products, such as Ag, from TRISO particles at high temperatures has raised concerns regarding safe and economic operation of advanced nuclear reactors. Understanding the mechanisms of Ag diffusion is thus of crucial importance for effective retention of fission products. Two mechanisms, i.e., grain boundary diffusion and vapor or surface diffusion through macroscopic structures such as nano-pores or nano-cracks, remain in debate. In the present work, an integrated computational and experimental study of the near-surface and bulk behavior of Ag in silicon carbide (SiC) has been carried out. The ab initio calculations show that Ag prefers to adsorb on the SiC surface rather than in the bulk, and the mobility of Ag on the surface is high. The energy barrier for Ag desorption from the surface is calculated to be 0.85–1.68 eV, and Ag migration into bulk SiC through equilibrium diffusion process is not favorable. Experimentally, Ag ions are implanted into SiC to produce Ag profiles buried in the bulk and peaked at the surface. High-temperature annealing leads to Ag release from the surface region instead of diffusion into the interior of SiC. It is suggested that surface diffusion through mechanical structural imperfection, such as vapor transport through cracks in SiC coatings, may be a dominating mechanism accounting for Ag release from the SiC in the nuclear reactor.

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).

Structure and stability of acrolein and allyl alcohol networks on Ag(111) from density functional theory based calculations with dispersion corrections

Science.gov (United States)

Ferullo, Ricardo M.; Branda, Maria Marta; Illas, Francesc

2013-11-01

The interaction of acrolein and allyl alcohol with the Ag(111) surface has been studied by means of periodic density functional theory based calculations including explicitly dispersion terms. Different coverage values have been explored going from isolated adsorbed molecules to isolated dimers, interacting dimers or ordered overlayers. The inclusion of the dispersion terms largely affects the calculated values of the adsorption energy and also the distance between adsorbed molecule and the metallic surface but much less the adsorbate-adsorbate interactions. Owing to the large dipole moment of acrolein, the present calculations predict that at high coverage this molecule forms a stable extensive two-dimensional network on the surface, caused by the alignment of the adsorbate dipoles. For the case of allyl alcohol, dimers and complex networks exhibit similar stability.

Reaction of hydrogen with Ag(111): binding states, minimum energy paths, and kinetics.

Science.gov (United States)

Montoya, Alejandro; Schlunke, Anna; Haynes, Brian S

2006-08-31

The interaction of atomic and molecular hydrogen with the Ag(111) surface is studied using periodic density functional total-energy calculations. This paper focuses on the site preference for adsorption, ordered structures, and energy barriers for H diffusion and H recombination. Chemisorbed H atoms are unstable with respect to the H(2) molecule in all adsorption sites below monolayer coverage. The three-hollow sites are energetically the most favorable for H chemisorption. The binding energy of H to the surface decreases slightly up to one monolayer, suggesting a small repulsive H-H interaction on nonadjacent sites. Subsurface and vacancy sites are energetically less favorable for H adsorption than on-top sites. Recombination of chemisorbed H atoms leads to the formation of gas-phase H(2) with no molecular chemisorbed state. Recombination is an exothermic process and occurs on the bridge site with a pronounced energy barrier. This energy barrier is significantly higher than that inferred from experimental temperature-programmed desorption (TPD) studies. However, there is significant permeability of H atoms through the recombination energy barrier at low temperatures, thus increasing the rate constant for H(2) desorption due to quantum tunneling effects, and improving the agreement between experiment and theory.

Photoinduced formation of Ag nanoparticles on the surface of As2S3/Ag thin bilayer

International Nuclear Information System (INIS)

Binu, S; Khan, Pritam; Barik, A R; Sharma, Rituraj; Adarsh, K V; Golovchak, R; Jain, H

2014-01-01

In this article, we demonstrate the combined effect of photodoping and photoinduced-surface deposition in a bilayer of chalcogenide glass (ChG) and Ag as an alternative method to optically synthesize Ag nanoparticles (AgNP) on the surface of ChG. In our experiment, AgNP formation occurs through two distinct stages: In the first stage, Ag is transported through the As 2 S 3 layer as Ag + ions, and in the second stage Ag + ions are photo-deposited as AgNP. The ex situ x-ray photoelectron spectroscopy measurements and AFM observations show photoinduced Ag mass transport and the formation of AgNP. (paper)

Time-dependent changes in the growth of ultrathin ionic liquid films on Ag(111).

Science.gov (United States)

Lexow, Matthias; Talwar, Timo; Heller, Bettina S J; May, Benjamin; Bhuin, Radha G; Maier, Florian; Steinrück, Hans-Peter

2018-05-09

Various amounts of the ionic liquids (ILs) [C1C1Im][Tf2N] and [C8C1Im][Tf2N] were deposited in vacuo by physical vapour deposition (PVD) on single crystalline Ag(111) at room temperature and subsequently monitored by angle-resolved X-ray photoelectron spectroscopy (ARXPS) as a function of time. For very low coverages of up to one closed molecular layer, an initial wetting layer was rapidly formed for both ILs. Deposition of higher amounts of [C1C1Im][Tf2N] revealed an initial three-dimensional film morphology. On the time scale of hours, characteristic changes of the XPS signals were observed. These are interpreted as island spreading and a transformation towards a nearly two dimensional [C1C1Im][Tf2N] film as the final state. In contrast, a film morphology close to 2D was found from the very beginning for [C8C1Im][Tf2N] deposited on Ag(111) demonstrating the influence of the alkyl chain length on the growth kinetics. These studies also highlight the suitability of time-resolved ARXPS for the investigation of IL/solid interfaces, which play a crucial role in IL thin film applications such as in catalysis, sensor, lubrication, and coating technologies.

Surface alloy formation by adsorption of holmium on Ag/Mo(112) bimetallic surfaces

Science.gov (United States)

Kołaczkiewicz, Jan; Oleksy, Czesław

2018-03-01

Work function change measurements, low energy electron diffraction (LEED) and density functional theory (DFT) are used to determine the structures formed on Ag/Mo(112) bimetallic surfaces upon deposition of 0.5 monolayer (ML) of holmium. As the bimetallic surfaces, we have chosen the Mo(112) substrate covered with 1 or 2 ML of Ag. Such surfaces have the same symmetry as the Mo(112) face but different electronic properties. LEED experiment indicates that the c(2 × 2) structure is formed on (1 ML Ag)/Mo(112) bimetallic surface upon deposition of 0.5 ML of Ho. DFT calculations show that a type of Ag-Ho surface alloy is formed, with Ho atoms 0.6 Å below the distorted layer of Ag. This is neither a substitutional nor a subsurface alloy. It is found that the adsorption structure formed on the (2 ML Ag)/Mo(112) bimetallic surface depends on the annealing temperature. After deposition of 0.5 ML of Ho at 300 K, the LEED pattern of p(2 × 2) symmetry is observed. Annealing of the overlayer at 640 K irreversibly changes the p(2 × 2) pattern into a pattern of c(2 × 2) type. The results of DFT computations show that the c(2 × 2) structure of the Ag-Ho surface alloy is energetically most favorable. In this structure, 0.5 ML of Ho is between the two monolayers of Ag, and the symmetry of the topmost layer is changed. The work function change calculated for the c(2 × 2) structure is in a good agreement with the measured value (0.22 eV). The results show that adsorption of Ho on the Ag/Mo(112) bimetallic surfaces is substantially different than on the clean Mo(112).

First-principle study of Mg adsorption on Si(111) surfaces

International Nuclear Information System (INIS)

Min-Ju, Ying; Ping, Zhang; Xiao-Long, Du

2009-01-01

We have carried out first-principle calculations of Mg adsorption on Si(111) surfaces. Different adsorption sites and coverage effects have been considered. We found that the threefold hollow adsorption is energy-favoured in each coverage considered, while for the clean Si(111) surface of metallic feature, we found that 0.25 and 0.5 ML Mg adsorption leads to a semiconducting surface. The results for the electronic behaviour suggest a polarized covalent bonding between the Mg adatom and Si(111) surface. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Structure and energetics of bimetallic surface confined alloys

Energy Technology Data Exchange (ETDEWEB)

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

2009-07-01

The atomic distribution in a number of A{sub x}B{sub 1-x}/B type surface alloys was determined by STM imaging with chemical contrast and statistically evaluated. Whereas in the systems Au{sub x}Pt{sub 1-x}/Pt(111), Ag{sub x}Pt{sub 1-x}/Pt(111), and Pd{sub x}Ru{sub 1-x}/Ru(0001) we find preferences for larger homoatomic aggregates, the atom distribution in Pt{sub x}Ru{sub 1-x}/Ru(0001) and Ag{sub x}Pd{sub 1-x}/Pd(111) is very close to a random one[1]. In Ag{sub x}Pd{sub 1-x}/Pd(111), our data show a small tendency towards clustering for x{sub Ag}<0.5, whereas at x{sub Ag}>0.5 this is reversed to a slight preference for heteroatomic neighborhoods. Based on these experimental results, we have derived effective cluster interaction energies for all surface alloys. These allow us to calculate phase diagrams for the surface alloys that we compare to predictions from theoretical work and to the behaviour of the corresponding bulk systems. We also discuss in how far the different atom distributions affect chemical and catalytic properties of the surface alloys.

Synthesis of Ag2O nanocrystals with systematic shape evolution from cubic to hexapod structures and their surface properties.

Science.gov (United States)

Lyu, Lian-Ming; Wang, Wei-Ching; Huang, Michael H

2010-12-17

We report the development of a facile method for the synthesis of Ag(2)O crystals with systematic shape evolution from cubic to edge- and corner-truncated cubic, rhombicuboctahedral, edge- and corner-truncated octahedral, octahedral, and hexapod structures by mixing AgNO(3), NH(4)NO(3), and NaOH at molar ratios of 1:2:11.8. A sufficient volume of NaOH solution was first added to a mixture of AgNO(3) and NH(4)NO(3) solution to promote the formation of Ag(NH(3))(2)(+) complex ions and the growth of Ag(2)O nanocrystals with good morphological control. The crystals are mostly submicrometer-sized. X-ray diffraction, scanning electron microscopy, and transmission electron microscopy characterization has been performed to determine the crystalline surface facets. A band gap value of approximately 1.45 eV has been found for the octahedral Ag(2)O crystals. By changing the molar ratios of AgNO(3)/NH(4)NO(3)/NaOH to 1:2:41.8, corner-depressed rhombicuboctahedra and elongated hexapods were obtained as a result of enhanced crystal growth along the [100] directions. Smaller nanocubes with average sizes of approximately 200 and 300 nm and octapods can also be prepared by adjusting the reagent molar ratios and their added volumes. Both the octahedra and hexapods with largely silver atom-terminated {111} surface facets responded repulsively and moved to the surface of the solution when dispersing in a solution of positively charged methylene blue, but can be suspended in a negatively charged methyl orange solution. The cubes and octapods, bounded by the {100} faces, were insensitive to the molecular charges in solution. The dramatic facet-dependent surface properties of Ag(2)O crystals have been demonstrated.

Global structural optimizations of surface systems with a genetic algorithm

International Nuclear Information System (INIS)

Chuang, Feng-Chuan

2005-01-01

Global structural optimizations with a genetic algorithm were performed for atomic cluster and surface systems including aluminum atomic clusters, Si magic clusters on the Si(111) 7 x 7 surface, silicon high-index surfaces, and Ag-induced Si(111) reconstructions. First, the global structural optimizations of neutral aluminum clusters Al n (n up to 23) were performed using a genetic algorithm coupled with a tight-binding potential. Second, a genetic algorithm in combination with tight-binding and first-principles calculations were performed to study the structures of magic clusters on the Si(111) 7 x 7 surface. Extensive calculations show that the magic cluster observed in scanning tunneling microscopy (STM) experiments consist of eight Si atoms. Simulated STM images of the Si magic cluster exhibit a ring-like feature similar to STM experiments. Third, a genetic algorithm coupled with a highly optimized empirical potential were used to determine the lowest energy structure of high-index semiconductor surfaces. The lowest energy structures of Si(105) and Si(114) were determined successfully. The results of Si(105) and Si(114) are reported within the framework of highly optimized empirical potential and first-principles calculations. Finally, a genetic algorithm coupled with Si and Ag tight-binding potentials were used to search for Ag-induced Si(111) reconstructions at various Ag and Si coverages. The optimized structural models of √3 x √3, 3 x 1, and 5 x 2 phases were reported using first-principles calculations. A novel model is found to have lower surface energy than the proposed double-honeycomb chained (DHC) model both for Au/Si(111) 5 x 2 and Ag/Si(111) 5 x 2 systems

Atomic and electronic structures of novel silicon surface structures

Energy Technology Data Exchange (ETDEWEB)

Terry, J.H. Jr.

1997-03-01

The modification of silicon surfaces is presently of great interest to the semiconductor device community. Three distinct areas are the subject of inquiry: first, modification of the silicon electronic structure; second, passivation of the silicon surface; and third, functionalization of the silicon surface. It is believed that surface modification of these types will lead to useful electronic devices by pairing these modified surfaces with traditional silicon device technology. Therefore, silicon wafers with modified electronic structure (light-emitting porous silicon), passivated surfaces (H-Si(111), Cl-Si(111), Alkyl-Si(111)), and functionalized surfaces (Alkyl-Si(111)) have been studied in order to determine the fundamental properties of surface geometry and electronic structure using synchrotron radiation-based techniques.

In situ thermal residual stress evolution in ultrathin ZnO and Ag films studied by synchrotron x-ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Renault, P.O., E-mail: Pierre.olivier.renault@univ-poitiers.fr [Institut P' , CNRS, Universite de Poitiers, UPR 3346, 86962 Futuroscope (France); Krauss, C.; Le Bourhis, E.; Geandier, G. [Institut P' , CNRS, Universite de Poitiers, UPR 3346, 86962 Futuroscope (France); Benedetto, A. [Saint-Gobain Recherche (SGR), 93303 Aubervilliers (France); Grachev, S.Y.; Barthel, E. [Lab. Surface du Verre et Interfaces (SVI), UMR-CNRS 125, 93303 Aubervilliers (France)

2011-12-30

Residual-stress evolution in sputtered encapsulated ZnO/Ag/ZnO stack has been studied in-situ by synchrotron x-ray diffraction when heat treated. The ZnO/Ag/ZnO stack encapsulated into Si{sub 3}N{sub 4} layers and deposited on (001) Si substrates was thermally heated from 25 Degree-Sign C to 600 Degree-Sign C and cooled down to 25 Degree-Sign C. X-ray diffraction 2D patterns captured continuously during the heat treatment allowed monitoring the diffraction peak shifts of both Ag (15 nm thick) and ZnO (10 nm and 50 nm thick) sublayers. Due to the mismatch between the coefficients of thermal expansion, the silicon substrate induced compressive thermal stresses in the films during heating. We first observed a linear increase of the compressive stress state in both Ag and ZnO films and then a more complex elastic-stress evolution starts to operate from about 100 Degree-Sign C for Ag and about 250 Degree-Sign C for ZnO. Thermal contraction upon cooling seems to dominate so that the initial compressive film stresses relax by about 300 and 700 MPa after thermal treatment for ZnO and Ag, respectively. The overall behavior is discussed in terms of structural changes induced by the heat treatment.

Probing long-range structural order in SnPc/Ag(111) by umklapp process assisted low-energy angle-resolved photoelectron spectroscopy

Science.gov (United States)

Jauernik, Stephan; Hein, Petra; Gurgel, Max; Falke, Julian; Bauer, Michael

2018-03-01

Laser-based angle-resolved photoelectron spectroscopy is performed on tin-phthalocyanine (SnPc) adsorbed on silver Ag(111). Upon adsorption of SnPc, strongly dispersing bands are observed which are identified as secondary Mahan cones formed by surface umklapp processes acting on photoelectrons from the silver substrate as they transit through the ordered adsorbate layer. We show that the photoemission data carry quantitative structural information on the adsorbate layer similar to what can be obtained from a conventional low-energy electron diffraction (LEED) study. More specifically, we compare photoemission data and LEED data probing an incommensurate-to-commensurate structural phase transition of the adsorbate layer. Based on our results we propose that Mahan-cone spectroscopy operated in a pump-probe configuration can be used in the future to probe structural dynamics at surfaces with a temporal resolution in the sub-100-fs regime.

Influence of the surface properties on bactericidal and fungicidal activity of magnetron sputtered Ti–Ag and Nb–Ag thin films

Energy Technology Data Exchange (ETDEWEB)

Wojcieszak, D., E-mail: damian.wojcieszak@pwr.edu.pl [Faculty of Microsystem Electronics and Photonics, Wroclaw University of Technology, Janiszewskiego 11/17, 50-372 Wrocław (Poland); Mazur, M.; Kaczmarek, D. [Faculty of Microsystem Electronics and Photonics, Wroclaw University of Technology, Janiszewskiego 11/17, 50-372 Wrocław (Poland); Mazur, P. [Institute of Experimental Physics, University of Wrocław, Max Born 9, 50-204 Wrocław (Poland); Szponar, B. [Institute of Immunology and Experimental Therapy, Polish Academy of Sciences, Rudolfa Weigla 12, 53–114 Wrocław (Poland); Domaradzki, J. [Faculty of Microsystem Electronics and Photonics, Wroclaw University of Technology, Janiszewskiego 11/17, 50-372 Wrocław (Poland); Kepinski, L. [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Okólna 2, 50-422 Wrocław (Poland)

2016-05-01

In this study the comparative investigations of structural, surface and bactericidal properties of Ti–Ag and Nb–Ag thin films have been carried out. Ti–Ag and Nb–Ag coatings were deposited on silicon and fused silica substrates by magnetron co-sputtering method using innovative multi-target apparatus. The physicochemical properties of prepared thin films were examined with the aid of X-ray diffraction, grazing incidence X-ray diffraction, scanning electron microscopy, atomic force microscopy and X-ray photoelectron spectroscopy methods. Moreover, the wettability of the surface was determined. It was found that both, Ti–Ag and Nb–Ag thin films were nanocrystalline. In the case of Ag–Ti film presence of AgTi{sub 3} and Ag phases was identified, while in the structure of Nb–Ag only silver occurred in a crystal form. In both cases the average size of crystallites was ca. 11 nm. Moreover, according to scanning electron microscopy and atomic force microscopy investigations the surface of Nb–Ag thin films was covered with Ag-agglomerates, while Ti–Ag surface was smooth and devoid of silver particles. Studies of biological activity of deposited coatings in contact with Bacillus subtilis, Pseudomonas aeruginosa, Enterococcus hirae, Klebisiella pneumoniae, Escherichia coli, Staphylococcus aureus and Candida albicans were performed. It was found that prepared coatings were bactericidal and fungicidal even in a short term-contact, i.e. after 2 h. - Highlights: • Surface and biological properties of Ti–Ag and Nb–Ag thin films were examined. • Ag content was related to sputtering yields and nucleation of Ti and Nb. • For Nb–Ag film the agglomeration of silver at the surface was observed. • Composition and surface topography had an impact on antimicrobial properties. • Fine-grained surface was important in Ag ions release process.

Influence of the surface properties on bactericidal and fungicidal activity of magnetron sputtered Ti–Ag and Nb–Ag thin films

International Nuclear Information System (INIS)

Wojcieszak, D.; Mazur, M.; Kaczmarek, D.; Mazur, P.; Szponar, B.; Domaradzki, J.; Kepinski, L.

2016-01-01

In this study the comparative investigations of structural, surface and bactericidal properties of Ti–Ag and Nb–Ag thin films have been carried out. Ti–Ag and Nb–Ag coatings were deposited on silicon and fused silica substrates by magnetron co-sputtering method using innovative multi-target apparatus. The physicochemical properties of prepared thin films were examined with the aid of X-ray diffraction, grazing incidence X-ray diffraction, scanning electron microscopy, atomic force microscopy and X-ray photoelectron spectroscopy methods. Moreover, the wettability of the surface was determined. It was found that both, Ti–Ag and Nb–Ag thin films were nanocrystalline. In the case of Ag–Ti film presence of AgTi_3 and Ag phases was identified, while in the structure of Nb–Ag only silver occurred in a crystal form. In both cases the average size of crystallites was ca. 11 nm. Moreover, according to scanning electron microscopy and atomic force microscopy investigations the surface of Nb–Ag thin films was covered with Ag-agglomerates, while Ti–Ag surface was smooth and devoid of silver particles. Studies of biological activity of deposited coatings in contact with Bacillus subtilis, Pseudomonas aeruginosa, Enterococcus hirae, Klebisiella pneumoniae, Escherichia coli, Staphylococcus aureus and Candida albicans were performed. It was found that prepared coatings were bactericidal and fungicidal even in a short term-contact, i.e. after 2 h. - Highlights: • Surface and biological properties of Ti–Ag and Nb–Ag thin films were examined. • Ag content was related to sputtering yields and nucleation of Ti and Nb. • For Nb–Ag film the agglomeration of silver at the surface was observed. • Composition and surface topography had an impact on antimicrobial properties. • Fine-grained surface was important in Ag ions release process.

Electronic Structure of the Metastable Epitaxial Rock-Salt SnSe {111} Topological Crystalline Insulator

Directory of Open Access Journals (Sweden)

Wencan Jin

2017-10-01

Full Text Available Topological crystalline insulators have been recently predicted and observed in rock-salt structure SnSe {111} thin films. Previous studies have suggested that the Se-terminated surface of this thin film with hydrogen passivation has a reduced surface energy and is thus a preferred configuration. In this paper, synchrotron-based angle-resolved photoemission spectroscopy, along with density functional theory calculations, is used to demonstrate that a rock-salt SnSe {111} thin film epitaxially grown on Bi_{2}Se_{3} has a stable Sn-terminated surface. These observations are supported by low-energy electron diffraction (LEED intensity-voltage measurements and dynamical LEED calculations, which further show that the Sn-terminated SnSe {111} thin film has undergone a surface structural relaxation of the interlayer spacing between the Sn and Se atomic planes. In sharp contrast to the Se-terminated counterpart, the observed Dirac surface state in the Sn-terminated SnSe {111} thin film is shown to yield a high Fermi velocity, 0.50×10^{6}  m/s, which suggests a potential mechanism of engineering the Dirac surface state of topological materials by tuning the surface configuration.

Size-dependent melting modes and behaviors of Ag nanoparticles: a molecular dynamics study

Science.gov (United States)

Liang, Tianshou; Zhou, Dejian; Wu, Zhaohua; Shi, Pengpeng

2017-12-01

The size-dependent melting behaviors and mechanisms of Ag nanoparticles (NPs) with diameters of 3.5-16 nm were investigated by molecular dynamics (MD). Two distinct melting modes, non-premelting and premelting with transition ranges of about 7-8 nm, for Ag NPs were demonstrated via the evolution of distribution and transition of atomic physical states during annealing. The small Ag NPs (3.5-7 nm) melt abruptly without a stable liquid shell before the melting point, which is characterized as non-premelting. A solid-solid crystal transformation is conducted through the migration of adatoms on the surface of Ag NPs with diameters of 3.5-6 nm before the initial melting, which is mainly responsible for slightly increasing the melting point of Ag NPs. On the other hand, surface premelting of Ag NPs with diameters of 8-16 nm propagates from the outer shell to the inner core with initial anisotropy and late isotropy as the temperature increases, and the close-packed facets {111} melt by a side-consumed way which is responsible for facets {111} melting in advance relative to the crystallographic plane {111}. Once a stable liquid shell is formed, its size-independent minimum thickness is obtained, and a three-layer structure of atomic physical states is set up. Lastly, the theory of point defect-pair (vacancy-interstitial) severing as the mechanism of formation and movement of the solid-liquid interface was also confirmed. Our study provides a basic understanding and theoretical guidance for the research, production and application of Ag NPs.

Tailoring the surface chemical bond states of the NbN films by doping Ag: Achieving hard hydrophobic surface

Energy Technology Data Exchange (ETDEWEB)

Ren, Ping; Zhang, Kan; Du, Suxuan [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China); Meng, Qingnan [College of Construction Engineering, Jilin University, Changchun, 130026 (China); He, Xin [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China); Wang, Shuo [Department of Materials Science and Engineering, College of Engineering, Peking University, Beijing 100871 (China); Wen, Mao, E-mail: wenmao225@jlu.edu.cn [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China); Zheng, Weitao, E-mail: WTZheng@jlu.edu.cn [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China)

2017-06-15

Highlights: • Intrinsically hydrophilic NbN films can transfer to hydrophobic Nb-Ag-N films by doping Ag atoms into NbN sublattice. • Solute Ag can promote that the hydrophobic Ag{sub 2}O groups formed on the Nb-Ag-N film surface through self-oxidation. • The present work may provide a straightforward approach for the production of robust hydrophobic ceramic surfaces. - Abstract: Robust hydrophobic surfaces based on ceramics capable of withstanding harsh conditions such as abrasion, erosion and high temperature, are required in a broad range of applications. The metal cations with coordinative saturation or low electronegativity are commonly chosen to achieve the intrinsically hydrophobic ceramic by reducing Lewis acidity, and thus the ceramic systems are limited. In this work, we present a different picture that robust hydrophobic surface with high hardness (≥20 GPa) can be fabricated through doping Ag atoms into intrinsically hydrophilic ceramic film NbN by reactive co-sputtering. The transition of wettability from hydrophilic to hydrophobic of Nb-Ag-N films induced by Ag doping results from the appearance of Ag{sub 2}O groups on the films surfaces through self-oxidation, because Ag cations (Ag{sup +}) in Ag{sub 2}O are the filled-shell (4d{sup 10}5S{sup 0}) electronic structure with coordinative saturation that have no tendency to interact with water. The results show that surface Ag{sub 2}O benefited for hydrophobicity comes from the solute Ag atoms rather than precipitate metal Ag, in which the more Ag atoms incorporated into Nb-sublattice are able to further improve the hydrophobicity, whereas the precipitation of Ag nanoclusters would worsen it. The present work opens a window for fabricating robust hydrophobic surface through tailoring surface chemical bond states by doping Ag into transition metal nitrides.

Role of Ag-alloy in the thermal stability of Ag-based ohmic contact to GaN(0 0 0 1) surface

International Nuclear Information System (INIS)

Xiong, Zhihua; Qin, Zhenzhen; Zhao, Qian; Chen, Lanli

2015-01-01

First-principles calculations are performed to study Ag and Ag-alloy adsorption stability on GaN(0 0 0 1) surface. We find Ag only contact to GaN surface is unstable under high temperature. While Ag-alloy adsorption exhibits better adsorption stability and electronic properties than that of the Ag only contact,due to the enhanced interaction between Ag-alloy and GaN(0 0 0 1) surface. The Ag-alloy, particularly AgNi, is proposed to be used as very promising ohmic contact to GaN for practical applications

Electron spectroscopy studies of surface In-Ag alloy formation on the tungsten surface

International Nuclear Information System (INIS)

Bukaluk, A.; Trzcinski, M.; Okulewicz, K.

2008-01-01

XPS and UPS investigations of ultrathin films of In/Ag and Ag/In, deposited onto the W(1 1 0) surface in the ultrahigh vacuum conditions have been performed. Indium and silver films were formed by 'in-situ' evaporation on W(1 1 0) substrate. XPS and UPS studies have been performed by means of SCIENTA ESCA200 instrument. The changes of In4d core-level and Ag4d valence band emissions with increasing Ag and In coverage were monitored to observe the energy shift and shape of the spin-orbit doublet of In4d and Ag4d lines in the Ag/In/W and In/Ag/W systems. UPS (HeI and HeII) measurements were supported by XPS AlK α measurements of In3d and W4p levels, as well as by investigations of Ag3d levels. XPS and UPS data allowed to evaluate the coverage and make conclusions concerning intermixing and surface alloying in the In/Ag/W and Ag/In/W systems. W(1 1 0) substrate can be cleaned after each deposition by thermal desorption and no alloying in the In/W and Ag/W systems is observed

Heteroepitaxial Growth of Ferromagnetic MnSb(0001) Films on Ge/Si(111) Virtual Substrates.

Science.gov (United States)

Burrows, Christopher W; Dobbie, Andrew; Myronov, Maksym; Hase, Thomas P A; Wilkins, Stuart B; Walker, Marc; Mudd, James J; Maskery, Ian; Lees, Martin R; McConville, Christopher F; Leadley, David R; Bell, Gavin R

2013-11-06

Molecular beam epitaxial growth of ferromagnetic MnSb(0001) has been achieved on high quality, fully relaxed Ge(111)/Si(111) virtual substrates grown by reduced pressure chemical vapor deposition. The epilayers were characterized using reflection high energy electron diffraction, synchrotron hard X-ray diffraction, X-ray photoemission spectroscopy, and magnetometry. The surface reconstructions, magnetic properties, crystalline quality, and strain relaxation behavior of the MnSb films are similar to those of MnSb grown on GaAs(111). In contrast to GaAs substrates, segregation of substrate atoms through the MnSb film does not occur, and alternative polymorphs of MnSb are absent.

Surface, interface and bulk materials characterization using Indus synchrotron sources

International Nuclear Information System (INIS)

Phase, Deodatta M.

2014-01-01

Synchrotron radiation sources, providing intense, polarized and stable beams of ultra violet, soft and hard x-ray photons, are having great impact on physics, chemistry, biology, materials science and other areas research. In particular synchrotron radiation has revolutionized materials characterization techniques by enhancing its capabilities for investigating the structural, electronic and magnetic properties of solids. The availability of synchrotron sources and necessary instrumentation has led to considerable improvements in spectral resolution and intensities. As a result, application scope of different materials characterization techniques has tremendously increased particularly in the analysis of solid surfaces, interfaces and bulk materials. The Indian synchrotron storage ring, Indus-1 and Indus-2 are in operation at RRCAT, Indore. The UGC-DAE CSR with the help of university scientist had designed and developed an angle integrated photoelectron spectroscopy (AlPES) beam line on Indus-1 storage ring of 450 MeV and polarized light beam line for soft x-ray absorption spectroscopy (SXAS) on Indus-2 storage ring of 2.5 GeV. (author)

New bonding configuration on Si(111) and Ge(111) surfaces induced by the adsorption of alkali metals

DEFF Research Database (Denmark)

Lottermoser, L.; Landemark, E.; Smilgies, D.M.

1998-01-01

The structure of the (3×1) reconstructions of the Si(111) and Ge(111) surfaces induced by adsorption of alkali metals has been determined on the basis of surface x-ray diffraction and low-energy electron diffraction measurements and density functional theory. The (3×1) surface results primarily f...... from the substrate reconstruction and shows a new bonding configuration consisting of consecutive fivefold and sixfold Si (Ge) rings in 〈11̅ 0〉 projection separated by channels containing the alkali metal atoms. © 1998 The American Physical Society...

UHV-TEM/TED observation of Ag islands grown on Si( 1 1 1 ) 3× 3-Ag surface

Science.gov (United States)

Oshima, Yoshifumi; Nakade, Hiroyuki; Shigeki, Sinya; Hirayama, Hiroyuki; Takayanagi, Kunio

2001-11-01

Growths of Ag islands on Si(1 1 1)3×3-Ag surface at room temperature were observed by UHV transmission electron microscopy and diffraction. The Ag islands grown after six monolayer deposition had neither (1 0 0) nor (1 1 0) orientation, but had two complex epitaxial orientations dominantly. One was striped islands which gave rise to a diffraction pattern commensurate with the 3×3 lattice of the Si(1 1 1) surface. The other was the coagulated islands whose diffraction pattern indicated the Ag(1 -3 4) sheet grown parallel to the Si(1 1 1) surface.

Nitrogen adsorption on Fe(111), (100), and (110) surfaces

DEFF Research Database (Denmark)

Mortensen, Jens Jørgen; Ganduglia-Pirovano, Veronica; Hansen, Lars Bruno

1999-01-01

Adsorption energies and structures for N atoms on three low-index surfaces of Fe have been calculated using density functional theory (DFT) and the generalized gradient approximation (GGA). At low N coverage the adsorption energy on Fe(100) is found to be similar to 0.7 eV higher than on the (111......) and (110) surfaces - particularly the c(2 x 2)-N/Fe(100) structure with the N atoms in four-fold sites is very stable. We attribute the differences in adsorption energy to the lack of four-fold sites on the (111) and (110) surfaces, We suggest that at higher N coverages, islands with a structure similar...

HREM of metallized {111} iron oxide nanoparticle surfaces

International Nuclear Information System (INIS)

Lovely, G R; Brown, A P; Brydson, R; Kirkland, A I; Meyer, R; Chang, L Y; Jefferson, D A; Falke, M; Bleloch, A

2006-01-01

Mixed phase Fe 3 O 4 - γ-Fe 2 O 3 (magnetite-maghemite) nanoparticles have been fabricated by colloidal routes. HR(S)TEM images, taken on both aberration corrected and uncorrected (S)TEMs, and indirect reconstruction of images of the nanoparticles show the presence of {111} facets that terminate with enhanced contrast. This extra contrast is shown to be real and is due to additional octahedral cations occupying the {111} surfaces

SFG investigation of adsorbed CO and NO on NiO(111) surface

Energy Technology Data Exchange (ETDEWEB)

Bandara, Athula; Dobashi, Shinsaku; Kubota, Jun; Onda, Ken; Wada, Akihide; Domen, Kazunari; Hirose, Chiaki [Tokyo Inst. of Tech., Yokohama (Japan). Research Lab. of Resources Utilization; Kano, S.S.

1997-07-01

Adsorption structures of CO and NO on the NiO(111) film grown on Ni(111) crystal have been investigated by sum frequency generation (SFG) spectroscopy and infrared reflection absorption spectroscopy (IRAS). The CO stretching band of adsorbed CO on NiO(111) was observed at 2144 cm{sup -1} on the SFG spectra for both p- and s-polarized visible light. However, adsorbed NO on NiO(111) was observed at 1805 cm{sup -1} on the SFG spectra only for the p-polarized visible light. The results suggest that the adsorbed CO molecule was tilted from the surface normal but the NO molecule was perpendicular to the surface. These orientations of CO and NO reflect the surface structure of NiO(111) which has (2 x 2)-reconstructed microfacets. Adsorption of CO on Ni(111) instead of NiO(111) was also examined by SFG and IRAS. Absorption bands due to linear and bridged CO were observed at 2076 and 1918 cm{sup -1}, respectively, by IRAS. On the other hand, the linear CO molecules on Ni(111) gave an SFG peak at 2076 cm{sup -1} only for the p-polarized visible light indicating the CO molecules are perpendicular to the surface, and bridged CO molecules did not give any SFG signal. The absence of the bridged CO signal is believed to be due to the smaller Raman tensor of bridged CO. (author)

SFG investigation of adsorbed CO and NO on NiO(111) surface

International Nuclear Information System (INIS)

Bandara, Athula; Dobashi, Shinsaku; Kubota, Jun; Onda, Ken; Wada, Akihide; Domen, Kazunari; Hirose, Chiaki; Kano, S.S.

1997-01-01

Adsorption structures of CO and NO on the NiO(111) film grown on Ni(111) crystal have been investigated by sum frequency generation (SFG) spectroscopy and infrared reflection absorption spectroscopy (IRAS). The CO stretching band of adsorbed CO on NiO(111) was observed at 2144 cm -1 on the SFG spectra for both p- and s-polarized visible light. However, adsorbed NO on NiO(111) was observed at 1805 cm -1 on the SFG spectra only for the p-polarized visible light. The results suggest that the adsorbed CO molecule was tilted from the surface normal but the NO molecule was perpendicular to the surface. These orientations of CO and NO reflect the surface structure of NiO(111) which has (2 x 2)-reconstructed microfacets. Adsorption of CO on Ni(111) instead of NiO(111) was also examined by SFG and IRAS. Absorption bands due to linear and bridged CO were observed at 2076 and 1918 cm -1 , respectively, by IRAS. On the other hand, the linear CO molecules on Ni(111) gave an SFG peak at 2076 cm -1 only for the p-polarized visible light indicating the CO molecules are perpendicular to the surface, and bridged CO molecules did not give any SFG signal. The absence of the bridged CO signal is believed to be due to the smaller Raman tensor of bridged CO. (author)

A first-principles study of oxygen adsorption on Ir(111) surface

Energy Technology Data Exchange (ETDEWEB)

Gao, Hengjiao, E-mail: gaohengjiao@163.com; Xiong, Yuqing, E-mail: xiongyq@hotmail.com; Liu, Xiaoli, E-mail: shantianzi@126.com; Zhao, Dongcai, E-mail: zhaodongc@163.com; Feng, Yudong, E-mail: yudong_feng@sina.com; Wang, Lanxi, E-mail: wanglanxi@live.com; Wang, Jinxiao, E-mail: coldwind716@gmail.com

2016-12-15

Highlights: • Adsorption of oxygen on Ir(111) surface was studied by density functional theory. • The most stable adsorption site was determined by adsorption energy calculation. • Adsorption of oxygen at bridge and top site on Ir surface was the most stable ones. • Interaction of O 2p and Ir 5d orbits is relatively strong and formed hybridization. - Abstract: In order to understand deposition mechanism of iridium thin film by atomic layer deposition, the adsorption of oxygen on Ir(111) surface was studied by use of density functional theory and a periodical slab model. By calculating the adsorption energy and structure of oxygen at four adsorption sites (top, bridge, fcc-hollow and hcp-hollow) on Ir(111) surface, the most stable adsorption site was determined. On this basis, the banding mechanism of O and Ir atoms was studied by density of states of oxygen and iridium atoms. Oxygen adsorbed at hcp(parallel) site on Ir(111) surface was the most stable one according to the adsorption energy calculation results. Orbital charge analysis indicate that charge transferred from 5p and 5d orbit to 2p orbit of adsorbed O atoms, and 6s orbit of iridium atoms. Meanwhile, density of state study indicated that adsorption of oxygen on Ir(111) surface is mainly due to the interaction between 2p orbit of O atoms and 5d orbit of iridium atoms.

The role of charge transfer in the oxidation state change of Ce atoms in the TM13-CeO2(111) systems (TM = Pd, Ag, Pt, Au): a DFT + U investigation.

Science.gov (United States)

Tereshchuk, Polina; Freire, Rafael L H; Ungureanu, Crina G; Seminovski, Yohanna; Kiejna, Adam; Da Silva, Juarez L F

2015-05-28

Despite extensive studies of transition metal (TM) clusters supported on ceria (CeO2), fundamental issues such as the role of the TM atoms in the change in the oxidation state of Ce atoms are still not well understood. In this work, we report a theoretical investigation based on static and ab initio molecular dynamics density functional theory calculations of the interaction of 13-atom TM clusters (TM = Pd, Ag, Pt, Au) with the unreduced CeO2(111) surface represented by a large surface unit cell and employing Hubbard corrections for the strong on-site Coulomb correlation in the Ce f-electrons. We found that the TM13 clusters form pyramidal-like structures on CeO2(111) in the lowest energy configurations with the following stacking sequence, TM/TM4/TM8/CeO2(111), while TM13 adopts two-dimensional structures at high energy structures. TM13 induces a change in the oxidation state of few Ce atoms (3 of 16) located in the topmost Ce layer from Ce(IV) (itinerant Ce f-states) to Ce(III) (localized Ce f-states). There is a charge flow from the TM atoms to the CeO2(111) surface, which can be explained by the electronegativity difference between the TM (Pd, Ag, Pt, Au) and O atoms, however, the charge is not uniformly distributed on the topmost O layer due to the pressure induced by the TM13 clusters on the underlying O ions, which yields a decrease in the ionic charge of the O ions located below the cluster and an increase in the remaining O ions. Due to the charge flow mainly from the TM8-layer to the topmost O-layer, the charge cannot flow from the Ce(IV) atoms to the O atoms with the same magnitude as in the clean CeO2(111) surface. Consequently, the effective cationic charge decreases mainly for the Ce atoms that have a bond with the O atoms not located below the cluster, and hence, those Ce atoms change their oxidation state from IV to III. This increases the size of the Ce(III) compared with the Ce(IV) cations, which builds-in a strain within the topmost Ce layer, and

Coating of hydroxyapatite doped Ag on commercially pure titanium surface

International Nuclear Information System (INIS)

Vieira, Jonas de Oliveira; Vercik, Luci Cristina de Oliveira; Rigo, Eliana Cristina da Silva

2012-01-01

This paper presents results of bioactive coating on commercially pure titanium surface (CpTi) doped with Ag ions. The coating consists of 3 steps, in step 1- surface chemical treatment of the samples with NaOH, step 2 - immersing the substrate in question in a sodium silicate solution (SS) to the nucleation and step 3 - reimmersion these substrates in synthetic solution that simulates the blood serum for precipitation and growth of apatite layer. After the coating step the AgNO 3 substrates were immersed in solutions with concentrations of 20 ppm and 100 ppm at 37 ° C for 48h. The substrates were characterized by scanning electron microscopy (SEM), infrared spectroscopy (IR) and X-ray diffraction (XRD). By the results verified the formation of an apatite layer with aspects of cells, on the surface of CpTi. The increase in Ag concentration causes an increase in Ag amount doped in apatite layer. With the results we concluded that it is possible to obtain an apatite layer on a metal surface as the CpTi doped with Ag ions

The components of the adsorption potential drop at the Ga and In-Ga electrodes in three solvents: a calculation with allowance for hydrophily of the Ag(111) single crystal face

International Nuclear Information System (INIS)

Emets, V.V.; Damaskin, B.B.; Kazarinov, V.E.

1996-01-01

The components of adsorption potential drop on the Ga and In-Ga electrodes in water, DMPA and DSMO, taking into account hydrophily of Ag(111) single crystal face in the framework of the metal-solvent contact modified model, have been recalculated. The data obtained are compared with the previously acquired ones. It is pointed out that corrections for the components of adsorptional potential relating to account of Ag(111) face hydrophily are not negligible. 8 refs., 1 tab

Surface science study of selective ethylene epoxidation catalyzed by the Ag(110) surface: Structural sensitivity

International Nuclear Information System (INIS)

Campbell, C.T.

1984-01-01

The selective oxidation of ethylene to ethylene epoxide (C 2 H 4 +1/2O 2 →C 2 H 4 O) over Ag is the simplest example of kinetically controlled, selective heterogeneous catalysis. We have studied the steady-state kinetics and selectivity of this reaction for the first time on a clean, well-characterized Ag(110) surface by using a special apparatus which allows rapid (approx.20 s) transfer between a high-pressure catalytic microreactor and an ultrahigh vacuum surface analysis (AES, XPS, LEED, TDS) chamber. The effects of temperature and reactant pressures upon the rate and selectivity are virtually identical on Ag(110) and supported, high surface area Ag catalysts. The absolute specific rate (per Ag surface atom) is, however, some 100-fold higher for Ag(110) than for high surface area catalysts. This is related to the well-known structural sensitivity of this reaction. It is postulated that a small percentage of (110) planes (or [110]-like sites) are responsible for most of the catalytic activity of high surface area catalysts. The high activity of the (110) plane is attributed to its high sticking probability for dissociative oxygen adsorption, since the rate of ethylene epoxidation is shown in a related work [Ref. 1: C. T. Campbell and M. T. Paffett, Surf. Sci. (in press)] to be proportional to the coverage of atomically adsorbed oxygen at constant temperature and ethylene pressure

Off-lattice self-learning kinetic Monte Carlo: application to 2D cluster diffusion on the fcc(111) surface

International Nuclear Information System (INIS)

Kara, Abdelkader; Yildirim, Handan; Rahman, Talat S; Trushin, Oleg

2009-01-01

We report developments of the kinetic Monte Carlo (KMC) method with improved accuracy and increased versatility for the description of atomic diffusivity on metal surfaces. The on-lattice constraint built into our recently proposed self-learning KMC (SLKMC) (Trushin et al 2005 Phys. Rev. B 72 115401) is released, leaving atoms free to occupy 'off-lattice' positions to accommodate several processes responsible for small-cluster diffusion, periphery atom motion and heteroepitaxial growth. This technique combines the ideas embedded in the SLKMC method with a new pattern-recognition scheme fitted to an off-lattice model in which relative atomic positions are used to characterize and store configurations. Application of a combination of the 'drag' and the repulsive bias potential (RBP) methods for saddle point searches allows the treatment of concerted cluster, and multiple- and single-atom, motions on an equal footing. This tandem approach has helped reveal several new atomic mechanisms which contribute to cluster migration. We present applications of this off-lattice SLKMC to the diffusion of 2D islands of Cu (containing 2-30 atoms) on Cu and Ag(111), using the interatomic potential from the embedded-atom method. For the hetero-system Cu/Ag(111), this technique has uncovered mechanisms involving concerted motions such as shear, breathing and commensurate-incommensurate occupancies. Although the technique introduces complexities in storage and retrieval, it does not introduce noticeable extra computational cost.

How Structure-Directing Agents Control Nanocrystal Shape: Polyvinylpyrrolidone-Mediated Growth of Ag Nanocubes.

Science.gov (United States)

Qi, Xin; Balankura, Tonnam; Zhou, Ya; Fichthorn, Kristen A

2015-11-11

The importance of structure-directing agents (SDAs) in the shape-selective synthesis of colloidal nanostructures has been well documented. However, the mechanisms by which SDAs actuate shape control are poorly understood. In the polyvinylpyrrolidone (PVP)-mediated growth of {100}-faceted Ag nanocrystals, this capability has been attributed to preferential binding of PVP to Ag(100). We use molecular dynamics simulations to probe the mechanisms by which Ag atoms add to Ag(100) and Ag(111) in ethylene glycol solution with PVP. We find that PVP induces kinetic Ag nanocrystal shapes by regulating the relative Ag fluxes to these facets. Stronger PVP binding to Ag(100) leads to a larger Ag flux to Ag(111) and cubic nanostructures through two mechanisms: enhanced Ag trapping by more extended PVP films on Ag(111) and a reduced free-energy barrier for Ag to cross lower-density films on Ag(111). These flux-regulating capabilities depend on PVP concentration and chain length, consistent with experiment.

Interplay of adsorbate-adsorbate and adsorbate-substrate interactions in self-assembled molecular surface nanostructures

DEFF Research Database (Denmark)

Schnadt, Joachim; Xu, Wei; Vang, Ronnie Thorbjørn

2010-01-01

a large tolerance to monatomic surface steps on the Ag(110) surface. The observed behaviour is explained in terms of strong intermolecular hydrogen bonding and a strong surface-mediated directionality, assisted by a sufficient degree of molecular backbone flexibility. In contrast, the same kind of step......-edge crossing is not observed when the molecules are adsorbed on the isotropic Ag(111) or more reactive Cu(110) surfaces. On Ag(111), similar 1-D assemblies are formed to those on Ag(110), but they are oriented along the step edges. On Cu(110), the carboxylic groups of NDCA are deprotonated and form covalent...... bonds to the surface, a situation which is also achieved on Ag(110) by annealing to 200 degrees C. These results show that the formation of particular self-assembled molecular nanostructures depends significantly on a subtle balance between the adsorbate-adsorbate and adsorbate-substrate interactions...

Elastic helium scattering studies of ordered overlayers of Ar, Kr, and Xe physisorbed on Ag(111)

International Nuclear Information System (INIS)

Gibson, K.D.; Cerjan, C.; Light, J.C.; Sibener, S.J.

1988-01-01

We describe experiments that measured the angle resolved intensity of He (E/sub i/ = 18 and 66 meV) elastically scattering from the surfaces of rare gas overlayers physisorbed on Ag(111). These studies were done on a layer-by-layer basis for 1, 2, 3, and ∼25 ordered overlayers of Ar, Kr, and Xe. Two types of experiments are described. The first is diffraction, where the scattered He intensity was measured as a function of the detector angle, with the incident polar and azimuthal angles held constant. In the second type of experiment, selective adsorption, we measured the specular intensity as a function of incident angle. The purpose of these experiments was to examine the He--surface potential, to assess the relative contributions that various He--rare gas pair potentials, nonadditive multibody terms, and He--substrate interactions make to the systems studied. The experiments are compared with the results of accurate close-coupling calculations, in order to quantitatively perform these assessments. The comparisons between the selective adsorption data and scattering calculations demonstrate the extreme sensitivity that such measurements have to the He--surface potential. In particular, observable changes in the calculated selective adsorption spectra appear when different He--rare gas potentials are tested, or when various nonadditive terms are included in the potential. The results suggest that further refinements in the He-heavy--rare gas pair potentials may be in order

Reducing strength prevailing at root surface of plants promotes reduction of Ag+ and generation of Ag(0/Ag2O nanoparticles exogenously in aqueous phase.

Directory of Open Access Journals (Sweden)

Peddisetty Pardha-Saradhi

Full Text Available Potential of root system of plants from wide range of families to effectively reduce membrane impermeable ferricyanide to ferrocyanide and blue coloured 2,6-dichlorophenol indophenol (DCPIP to colourless DCPIPH2 both under non-sterile and sterile conditions, revealed prevalence of immense reducing strength at root surface. As generation of silver nanoparticles (NPs from Ag+ involves reduction, present investigations were carried to evaluate if reducing strength prevailing at surface of root system can be exploited for reduction of Ag+ and exogenous generation of silver-NPs. Root system of intact plants of 16 species from 11 diverse families of angiosperms turned clear colorless AgNO3 solutions, turbid brown. Absorption spectra of these turbid brown solutions showed silver-NPs specific surface plasmon resonance peak. Transmission electron microscope coupled with energy dispersive X-ray confirmed the presence of distinct NPs in the range of 5-50 nm containing Ag. Selected area electron diffraction and powder X-ray diffraction patterns of the silver NPs showed Bragg reflections, characteristic of crystalline face-centered cubic structure of Ag(0 and cubic structure of Ag2O. Root system of intact plants raised under sterile conditions also generated Ag(0/Ag2O-NPs under strict sterile conditions in a manner similar to that recorded under non-sterile conditions. This revealed the inbuilt potential of root system to generate Ag(0/Ag2O-NPs independent of any microorganism. Roots of intact plants reduced triphenyltetrazolium to triphenylformazon and impermeable ferricyanide to ferrocyanide, suggesting involvement of plasma membrane bound dehydrogenases in reduction of Ag+ and formation of Ag(0/Ag2O-NPs. Root enzyme extract reduced triphenyltetrazolium to triphenylformazon and Ag+ to Ag(0 in presence of NADH, clearly establishing potential of dehydrogenases to reduce Ag+ to Ag(0, which generate Ag(0/Ag2O-NPs. Findings presented in this manuscript put

Crystalline and quasicrystalline allotropes of Pb formed on the fivefold surface of icosahedral Ag-In-Yb

Energy Technology Data Exchange (ETDEWEB)

Sharma, H. R., E-mail: H.R.Sharma@liv.ac.uk; Smerdon, J. A.; Nugent, P. J.; Ribeiro, A.; McGrath, R. [Surface Science Research Centre and Department of Physics, The University of Liverpool, Liverpool L69 3BX (United Kingdom); McLeod, I.; Dhanak, V. R. [Department of Physics and the Stephenson Institute for Renewable Energy, The University of Liverpool, Liverpool L69 3BX (United Kingdom); Shimoda, M. [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Tsai, A. P. [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan)

2014-05-07

Crystalline and quasicrystalline allotropes of Pb are formed by evaporation on the fivefold surface of the icosahedral (i) Ag-In-Yb quasicrystal under ultra-high vacuum. Lead grows in three dimensional quasicrystalline order and subsequently forms fivefold-twinned islands with the fcc(111) surface orientation atop of the quasicrystalline Pb. The islands exhibit specific heights (magic heights), possibly due to the confinement of electrons in the islands. We also study the adsorption behavior of C{sub 60} on the two allotropes of Pb. Scanning tunneling microcopy reveals that a high corrugation of the quasicrystalline Pb limits the diffusion of the C{sub 60} molecules and thus produces a disordered film, similar to adsorption behavior of the same molecules on the clean substrate surface. However, the sticking coefficient of C{sub 60} molecules atop the Pb islands approaches zero, regardless of the overall C{sub 60} coverage.

Image-potential states on the metallic (111) surface of bismuth

International Nuclear Information System (INIS)

Muntwiler, Matthias; Zhu, X-Y

2008-01-01

An extended series (up to n=6, in quantum beats) of image-potential states (IPS) is observed in time-resolved two-photon photoelectron (TR-2PPE) spectroscopy of the Bi(111) surface. Although mainly located in the vacuum, these states probe various properties of the electronic structure of the surface as reflected in their energetics and dynamics. Based on the observation of IPS a projected gap in the surface normal direction is inferred in the region from 3.57 to 4.27 eV above the Fermi level. Despite this band gap, the lifetimes of the IPS are shorter than on comparable metals, which is an indication of the metallic character of the Bi(111) surface.

Transition voltages of vacuum-spaced and molecular junctions with Ag and Pt electrodes

KAUST Repository

Wu, Kunlin

2014-07-07

The transition voltage of vacuum-spaced and molecular junctions constructed with Ag and Pt electrodes is investigated by non-equilibrium Green\\'s function formalism combined with density functional theory. Our calculations show that, similarly to the case of Au-vacuum-Au previously studied, the transition voltages of Ag and Pt metal-vacuum-metal junctions with atomic protrusions on the electrode surface are determined by the local density of states of the p-type atomic orbitals of the protrusion. Since the energy position of the Pt 6p atomic orbitals is higher than that of the 5p/6p of Ag and Au, the transition voltage of Pt-vacuum-Pt junctions is larger than that of both Ag-vacuum-Ag and Au-vacuum-Au junctions. When one moves to analyzing asymmetric molecular junctions constructed with biphenyl thiol as central molecule, then the transition voltage is found to depend on the specific bonding site for the sulfur atom in the thiol group. In particular agreement with experiments, where the largest transition voltage is found for Ag and the smallest for Pt, is obtained when one assumes S binding at the hollow-bridge site on the Ag/Au(111) surface and at the adatom site on the Pt(111) one. This demonstrates the critical role played by the linker-electrode binding geometry in determining the transition voltage of devices made of conjugated thiol molecules. © 2014 AIP Publishing LLC.

Probing gas-surface interactions with a molecular beam

International Nuclear Information System (INIS)

Spruit, M.E.M.

1988-01-01

The dynamics of direct scattering, trapping and sticking in molecular beam scattering is probed. The O 2 /Ag interaction was chosen, using the close-packed (111) plane of Ag as target surface. 170 refs.; 22 figs.; 3 tabs

Theoretical study of the noble metals on semiconductor surfaces and Ti-base shape memory alloys

International Nuclear Information System (INIS)

Ding, Yungui.

1994-01-01

The electronic and structural properties of the (√3 x √3) R30 degrees Ag/Si(111) and (√3 x √3) R30 degrees Au/Si(111) surfaces are investigated using first principles total energy calculations. We have tested almost all experimentally proposed structural models for both surfaces and found the energetically most favorable model for each of them. The lowest energy model structure of the (√3 x √3) R30 degrees Ag/Si(111) surface consists of a top layer of Ag atoms arranged as ''honeycomb-chained-trimers'' lying above a distorted ''missing top layer'' Si(111) substrate. The coverage of Ag is 1 monolayer (ML). We find that the honeycomb structure observed in STM images arise from the electronic charge densities of an empty surface band near the Fermi level. The electronic density of states of this model gives a ''pseudo-gap'' around the Fermi level, which is consistent with experimental results. The lowest energy model for the (√3 x √3) R30 degrees Au/Si(111) surface is a conjugate honeycomb-chained-trimer (CHCT-1) configuration which consists of a top layer of trimers formed by 1 ML Au atoms lying above a ''missing top layer'' Si(111) substrate with a honeycomb-chained-trimer structure for its first layer. The structures of Au and Ag are in fact quite similar and belong to the same class of structural models. However, small variation in the structural details gives rise to quite different observed STM images, as revealed in the theoretical calculations. The electronic charge density from bands around the Fermi level for the (√3 x √3) R30 degrees, Au/Si(111) surface also gives a good description of the images observed in STM experiments. First principles calculations are performed to study the electronic and structural properties of a series of Ti-base binary alloys TiFe, TiNi, TiPd, TiMo, and TiAu in the B2 structure

Electronic properties of physisorbed helium

International Nuclear Information System (INIS)

Kossler, Sarah

2011-01-01

This thesis deals with electronic excitations of helium physisorbed on metal substrates. It is studied to what extent the electronic properties change compared to the gas phase due to the increased helium density and the proximity of the metal. Furthermore, the influence of different substrate materials is investigated systematically. To this end, up to two helium layers were adsorbed onto Ru (001), Pt (111), Cu (111), and Ag (111) surfaces in a custom-made cryostat. These samples were studied spectroscopically using synchrotron radiation and a time-of-flight detector. The experimental results were then analyzed in comparison with extensive theoretical model calculations.

Electronic properties of physisorbed helium

Energy Technology Data Exchange (ETDEWEB)

Kossler, Sarah

2011-09-22

This thesis deals with electronic excitations of helium physisorbed on metal substrates. It is studied to what extent the electronic properties change compared to the gas phase due to the increased helium density and the proximity of the metal. Furthermore, the influence of different substrate materials is investigated systematically. To this end, up to two helium layers were adsorbed onto Ru (001), Pt (111), Cu (111), and Ag (111) surfaces in a custom-made cryostat. These samples were studied spectroscopically using synchrotron radiation and a time-of-flight detector. The experimental results were then analyzed in comparison with extensive theoretical model calculations.

A temperature-programmed X-ray photoelectron spectroscopy (TPXPS) study of chlorine adsorption and diffusion on Ag(1 1 1)

Science.gov (United States)

Piao, H.; Adib, K.; Barteau, Mark A.

2004-05-01

Synchrotron-based temperature programmed X-ray photoelectron spectroscopy (TPXPS) has been used to investigate the surface chloridation of Ag(1 1 1) to monolayer coverages. At 100 K both atomic and molecular chlorine species are present on the surface; adsorption at 300 K or annealing the adlayer at 100 K to this temperature generates adsorbed Cl atoms. As the surface is heated from 300 to 600 K, chlorine atoms diffuse below the surface, as demonstrated by attenuation of the Cl2p signals in TPXPS experiments. Quantitative analysis of the extent of attenuation is consistent with chlorine diffusion below the topmost silver layer. For coverages in the monolayer and sub-monolayer regime, chlorine diffusion to and from the bulk appears not to be significant, in contrast to previous results obtained at higher chlorine loadings. Chlorine is removed from the surface at 650-780 K by desorption as AgCl. These results demonstrate that chlorine diffusion beneath the surface does occur at coverages and temperatures relevant to olefin epoxidation processes carried out on silver catalysts with chlorine promoters. The surface sensitivity advantages of synchrotron-based XPS experiments were critical to observing Cl diffusion to the sub-surface at low coverages.

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

Surface phonons and elastic surface waves

Science.gov (United States)

Büscher, H.; Klein-Heßling, W.; Ludwig, W.

Theoretical investigations on the dynamics of the (001), (110) and (111) surfaces of some cubic metals (Ag, Cu, Ni) will be reviewed. Both, lattice dynamical and continuum theoretical results are obtained via a Green's function formalism. The main attitude of this paper is the comparison of our results with experiments and with results obtained via slab-calculations. The calculation of elastic surface waves has been performed using a modified surface-green-function-matching method. We have used two different approaches of calculation the bulk Green's function (a) using the spectral representation and (b) a method, what works on residues. The investigations are carried out using shortrange phenomenological potentials. The atomic force constants in the first surface layers are modified to describe surface phonon anomalies, observed by experiments. In the case of Ag (100) and Ag(110) we conclude that the detection of odd symmetry shear modes by Erskine et al. [1 a, b] was not very accurate.

Surface phonons and elastic surface waves

International Nuclear Information System (INIS)

Buescher, H.; Klein-Hessling, W.; Ludwig, W.

1993-01-01

Theoretical investigations on the dynamics of the (001), (110) and (111) surfaces of some cubic metals (Ag, Cu, Ni) will be reviewed. Both, lattice dynamical and continuum theoretical results are obtained via a Green's function formalism. The main attitude of this paper is the comparison of our results with experiments and with results obtained via slab-calculations. The calculation of elastic surface waves has been performed using a modified surface-green-function-matching method. We have used two different approaches of calculation the bulk Green's function (a) using the spectral representation and (b) a method, what works on residues. The investigations are carried out using shortrange phenomenological potentials. The atomic force constants in the first surface layers are modified to describe surface phonon anomalies, observed by experiments. In the case of Ag(100) and Ag(110) we conclude that the detection of odd symmetry shear modes by Erskine et al. was not very accurate. (orig.)

Passivation of Si(111) surfaces with electrochemically grafted thin organic films

Science.gov (United States)

Roodenko, K.; Yang, F.; Hunger, R.; Esser, N.; Hinrichs, K.; Rappich, J.

2010-09-01

Ultra thin organic films (about 5 nm thick) of nitrobenzene and 4-methoxydiphenylamine were deposited electrochemically on p-Si(111) surfaces from benzene diazonium compounds. Studies based on atomic force microscopy, infrared spectroscopic ellipsometry and x-ray photoelectron spectroscopy showed that upon exposure to atmospheric conditions the oxidation of the silicon interface proceed slower on organically modified surfaces than on unmodified hydrogen passivated p-Si(111) surfaces. Effects of HF treatment on the oxidized organic/Si interface and on the organic layer itself are discussed.

Laser-induced desorption determinations of surface diffusion on Rh(111)

International Nuclear Information System (INIS)

Seebauer, E.G.; Schmidt, L.D.

1987-01-01

Surface diffusion of hydrogen, deuterium and CO on Rh(111) has been investigated by laser-induced thermal desorption (LITD) and compared with previous results for these species on Pt(111) and on other metals. For deuterium in the coverage range 0.02 0 - 8 x 10 -2 cm 2 /s, with a diffusion activation energy 3.7 0 rises from 10 -3 to 10 -2 cm 2 /s between θ = 0.01 and 0.40. Values of E/sub diff/ on different surfaces appear to correlate with differences in heats of adsorption in different binding states which form saddle point configurations in surface diffusion. In addition, oxidation reactions on Rh and on several other transition metal surfaces may be limited to CO or H surface diffusion. 30 refs., 3 figs., 1 tab

Improved adhesion of Ag NPs to the polyethylene terephthalate surface via atmospheric plasma treatment and surface functionalization

Energy Technology Data Exchange (ETDEWEB)

Shen, Tao [Faculty of Materials Science and Engineering, Kunming University of Science and Technology, 253 Xuefu Rd, Kunming, Yunnan, 650093 (China); Liu, Yong [Faculty of Materials Science and Engineering, Kunming University of Science and Technology, 253 Xuefu Rd, Kunming, Yunnan, 650093 (China); Solmont Technology Wuxi Co., Ltd. 228 Linghu Blvd. Tianan Tech Park, A1-602, Xinwu District, Wuxi, Jiangsu 214135 (China); Zhu, Yan, E-mail: zhuyan@kmust.edu.cn [Faculty of Materials Science and Engineering, Kunming University of Science and Technology, 253 Xuefu Rd, Kunming, Yunnan, 650093 (China); Yang, De-Quan, E-mail: dequan.yang@gmail.com [Faculty of Materials Science and Engineering, Kunming University of Science and Technology, 253 Xuefu Rd, Kunming, Yunnan, 650093 (China); Solmont Technology Wuxi Co., Ltd. 228 Linghu Blvd. Tianan Tech Park, A1-602, Xinwu District, Wuxi, Jiangsu 214135 (China); Sacher, Edward [Regroupement Québécois de Matériaux de Pointe, Department of Engineering Physics, École Polytechnique de Montréal, Case Postale 6079, succursale Centre-Ville, Montréal, Québec H3C 3A7 (Canada)

2017-07-31

Highlights: • A two-step process has been developed to enhance the adhesion of immobilized Ag NPs to the PET surface. • The method is simple, easy to use and low-cost for mass production. • The increased density of active sites (−OH, −CH=O and COOH) at the PET surface, after plasma treatment, permits increased reaction with 3-aminopropyltriethoxysilane (APTES). • The presence of APTES with high surface density permits −NH{sub 2}-Ag complex formation, increasing the adhesion of the Ag NPs. - Abstract: Ag nanoparticles (NPs) have been widely applied, as important antibacterial materials, on textile and polymer surfaces. However, their adhesion to nonreactive polymer surfaces is generally too weak for many applications. Here, we propose a two-step process, atmospheric plasma treatment followed by a surface chemical modification process, which enhances their adhesion to polyethylene terephthalate (PET) surfaces. We found that, compared to either plasma treatments or surface chemical functionalizations, alone, this combination greatly enhanced their adhesion. The plasma treatment resulted in an increase of active sites (−OH, −CH=O and COOH) at the PET surface, permitting increased bonding to 3-aminopropyltriethoxysilane (APTES), whose −NH{sub 2} groups were then able to form a bonding complex with the Ag NPs.

Nano Ag@AgBr surface-sensitized Bi{sub 2}WO{sub 6} photocatalyst: oil-in-water synthesis and enhanced photocatalytic degradation

Energy Technology Data Exchange (ETDEWEB)

Lin, Shuanglong; Liu, Li; Hu, Jinshan; Liang, Yinghua, E-mail: liangyh@heuu.edu.cn; Cui, Wenquan, E-mail: wkcui@163.com

2015-01-01

Graphical abstract: - Highlights: • The plasmatic Ag@AgBr surface-sensitized Bi{sub 2}WO{sub 6} composite photocatalysts. • Ag@AgBr greatly increased visible-light absorption for Bi{sub 2}WO{sub 6}. • The plasmonic photocatalysts exhibited enhanced activity for the degradation of MB, phenol and salicylic acid. - Abstract: Nano Ag@AgBr decorated on the surface of flower-like Bi{sub 2}WO{sub 6} (hereafter designated Ag@AgBr/Bi{sub 2}WO{sub 6}) were prepared via a facile oil-in-water self-assembly method. The photocatalysts were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), UV–vis diffuse reflectance spectroscopy (DRS), etc. The characterization results indicated that nano Ag@AgBr was observed to be evenly dispersed on the surface of Bi{sub 2}WO{sub 6}, and was approximately 20 nm in size. Ag@AgBr/Bi{sub 2}WO{sub 6} composites exhibited excellent UV–vis absorption, due to quantum dimension effect of Ag@AgBr, the surface plasmonic resonance (SPR) of Ag nanoparticles and the special flower-like structure of Bi{sub 2}WO{sub 6}. The photoelectrochemical measurement verified that the suitable band potential of Ag@AgBr and Bi{sub 2}WO{sub 6} and the existence of metal Ag resulted in the high efficiency in charge separation of the composite. The photocatalytic activities of the Ag@AgBr/Bi{sub 2}WO{sub 6} samples were examined under visible-light irradiation for the degradation of methylene blue (MB). The composite presented excellent photocatalytic activity due to the synergetic effect of Bi{sub 2}WO{sub 6}, AgBr, and Ag nanoparticles. The Ag@AgBr(20 wt.%)/Bi{sub 2}WO{sub 6} sample exhibited the best photocatalytic activity, degrading 95.03% MB after irradiation for 2 h, which was respectively 1.29 times and 1.28 times higher than that of Ag@AgBr and Bi{sub 2}WO{sub 6} photocatalyst. Meanwhile, phenol and salicylic acid were degraded to further prove the degradation ability of Ag@AgBr/Bi{sub 2

Synthesis of Ag-coated polystyrene colloids by an improved surface seeding and shell growth technique

International Nuclear Information System (INIS)

Tian Chungui; Wang Enbo; Kang Zhenhui; Mao Baodong; Zhang Chao; Lan Yang; Wang Chunlei; Song Yanli

2006-01-01

In this paper, an improved surface seeding and shell growth technique was developed to prepare Ag-polystyrene core shell composite. Polyethyleneimine (PEI) could act as the linker between Ag ions (Ag nanoparticles) and polystyrene (PS) colloids and the reducing agent in the formation of Ag nanoparticles. Due to the multi-functional characteristic of PEI, Ag seeds formed in-situ and were immobilized on the surface of PEI-modified PS colloids and no free Ag clusters coexist with the Ag 'seeding' PS colloids in the system. Then, the additional agents could be added into the resulting dispersions straightly to produce a thick Ag nanoshell. The Ag nanoshell with controllable thickness was formed on the surface of PS by the 'one-pot' surface seeding and shell growth method. The Ag-coverage increased gradually with the increasing of mass ratio of AgNO 3 /PS. The optical properties of the Ag-PS colloids could be tailored by changing the coverage of Ag. - Graphical abstract: An improved surface seeding and shell growth technique was developed to prepare Ag-polystyrene core shell composite. The optical properties of the Ag-PS colloids could be tailored by changing the coverage of Ag. Display Omitted

Antigens of hepatitis B virus: failure to detect HBeAg on the surfaces of HBsAg forms

Energy Technology Data Exchange (ETDEWEB)

Gerin, J L [Oak Ridge National Lab., Rockville, MD; Shih, J W.K.; McAuliffee, V J; Purcell, R H

1978-01-01

The particulate forms of HBsAg were analysed for the presence of HBeAG on their surfaces. By immunodiffusion analysis, anti-HBe did not form precipitin bands with the purified forms of HBsAg and hyperimmune guinea pig antisera to these forms did not react with HBeAg. Lines of non-identity were observed between the HBeAg determinants (e/sub 1/ and e/sub 2/) and the Dane particles and filaments isolated from an HBeAg-positive serum. Finally, anti-HBe failed to precipitate the polymerase-positive subpopulation of Dane particles, indicating that anti-HBe has no direct role in virus neutralization.

Water dissociation on Ni(100) and Ni(111): Effect of surface temperature on reactivity

International Nuclear Information System (INIS)

Seenivasan, H.; Tiwari, Ashwani K.

2013-01-01

Water adsorption and dissociation on Ni(100) and Ni(111) surfaces are studied using density functional theory calculations. Water adsorbs on top site on both the surfaces, while H and OH adsorb on four fold hollow and three fold hollow (fcc) sites on Ni(100) and Ni(111), respectively. Transition states (TS) on both surfaces are identified using climbing image-nudged elastic band method. It is found that the barrier to dissociation on Ni(100) surface is slightly lower than that on Ni(111) surface. Dissociation on both the surfaces is exothermic, while the exothermicity on Ni(100) is large. To study the effect of lattice motion on the energy barrier, TS calculations are performed for various values of Q (lattice atom coordinate along the surface normal) and the change in the barrier height and position is determined. Calculations show that the energy barrier to reaction decreases with increasing Q and increases with decreasing Q on both the surfaces. Dissociation probability values at different surface temperatures are computed using semi-classical approximation. Results show that the influence of surface temperature on dissociation probability on the Ni(100) is significantly larger compared to that of Ni(111). Moreover, on Ni(100), a dramatic shift in energy barrier to lower incident energy values is observed with increasing surface temperature, while the shift is smaller in the case of Ni(111)

In situ Oxidation of Ultrathin Silver Films on Ni(111)

International Nuclear Information System (INIS)

Meyer, A.; Flege, I.; Senanayake, S.; Kaemena, B.; Rettew, R.; Alamgir, F.; Falta, J.

2011-01-01

Oxidation of silver films of one- and two-monolayer thicknesses on the Ni(111) surface was investigated by low-energy electron microscopy at temperatures of 500 and 600 K. Additionally, intensity-voltage curves were measured in situ during oxidation to reveal the local film structure on a nanometer scale. At both temperatures, we find that exposure to molecular oxygen leads to the destabilization of the Ag film with subsequent relocation of the silver atoms to small few-layer-thick silver patches and concurrent evolution of NiO(111) regions. Subsequent exposure of the oxidized surface to ethylene initiates the transformation of bilayer islands back into monolayer islands, demonstrating at least partial reversibility of the silver relocation process at 600 K.

The application of infrared synchrotron radiation to the study of interfacial vibrational modes

International Nuclear Information System (INIS)

Hirschmugl, C.J.; Williams, G.P.

1992-01-01

Synchrotron radiation provides an extremely bright broad-band source in the infrared which is ideally suited to the study of surface and interface vibrational modes in the range 50--3,000 cm -1 . Thus it covers the important range of molecule-substrate interactions, as well as overlapping with the more easily accessible near-ir region where molecular internal modes are found. Compared to standard broadband infrared sources such as globars, not only is it 1,000 times brighter, but its emittance matches the phase-space of the electrochemical cell leading to full utilization of this brightness advantage. In addition, the source is more stable even than water-cooled globars in vacuum for both short-term and long-term fluctuations. The authors summarize the properties of synchrotron radiation in the infrared, in particular pointing out the distinct differences between this and the x-ray region. They use experimental data in discussing important issues of signal to noise and address the unique problems and advantages of the synchrotron source. Thus they emphasize the important considerations necessary for developing new facilities. This analysis then leads to a discussion of phase-space matching to electrochemical cells, and to other surfaces in vacuum. Finally they show several examples of the application of infrared synchrotron radiation to surface vibrational spectroscopy. The examples are for metal crystal surfaces in ultra-high vacuum and include CO/Cu(100) and (111) and CO/K/Cu(100). The experiments show how the stability of the synchrotron source allows subtle changes in the background to be observed in addition to the discrete vibrational modes. These changes are due to electronic states induced by the adsorbate. In some cases the authors have seen interferences between these and the discrete vibrational modes, leading to a breakdown of the dipole selection rules, and the observation of additional modes

Computer studies of surface structure of NiAl(111)

International Nuclear Information System (INIS)

Takeuchi, Wataru; Yamamura, Yasunori

1994-01-01

The 180 neutral impact-collision ion scattering spectroscopy (NICISS) data have been analyzed using the ACOCT program code based on the binary collision approximation (BCA). The computer simulations are performed for the case of 2 keV He + ions incident along the [ anti 12 anti 1] direction of a NiAl(111) surface. It is found that the experimental results are well reproduced by the ACOCT simulations including the inward relaxation of 40% of the first interlayer spacing on Ni terminated layer at the NiAl(111) surface and including the Moliere approximation of the Thomas-Fermi potential with a reduced Firsov screening length, multiplied by a factor of 0.60. (orig.)

Alkyl-terminated Si(111) surfaces: A high-resolution, core level photoelectron spectroscopy study

Energy Technology Data Exchange (ETDEWEB)

Terry, J.; Linford, M.R.; Wigren, C.; Cao, R.; Pianetta, P.; Chidsey, C.E. [Stanford University, Stanford, California 94309 (United States)

1999-01-01

The bonding of alkyl monolayers to Si(111) surfaces has been studied with high-resolution core level photoelectron spectroscopy (PES). Two very different wet-chemical methods have been used to prepare the alkyl monolayers: (i) Olefin insertion into the H{endash}Si bond of the H{endash}Si(111) surface, and (ii) replacement of Cl on the Cl{endash}Si(111) surface by an alkyl group from an alkyllithium reagent. In both cases, PES has revealed a C 1s component shifted to lower binding energy and a Si 2p component shifted to higher binding energy. Both components are attributed to the presence of a C{endash}Si bond at the interface. Along with photoelectron diffraction data [Appl. Phys. Lett. {bold 71}, 1056, (1997)], these data are used to show that these two synthetic methods can be used to functionalize the Si(111) surface. {copyright} {ital 1999 American Institute of Physics.}

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.

Carbon 1s photoemission line analysis of C-based adsorbate on (111)In{sub 2}O{sub 3} surface: The influence of reducing and oxidizing conditions

Energy Technology Data Exchange (ETDEWEB)

Brinzari, V., E-mail: vbrinzari@mail.ru [State University of Moldova, Chisinau, str. Mateevich 60A, MD-2009, Republic of Moldova (Moldova, Republic of); Cho, B.K. [Gwangju Institute of Science and Technology, Gwangju (Korea, Republic of); Korotcenkov, G., E-mail: ghkoro@yahoo.com [Gwangju Institute of Science and Technology, Gwangju (Korea, Republic of)

2016-12-30

Highlights: • C 1s PE line of (111)In{sub 2}O{sub 3} layer after cleaning and gas probing in HV was studied. • C 1s line fine structure is formed by various residual C-based adsorbates. • Some C 1s line features were interpreted as CO adsorption and dissociation. • Redox properties of surface determine either adsorption or dissociation of CO. • Dissociation of CO on oxidized surface is responsible for acceptor-like effect. - Abstract: Synchrotron radiation photoemission study of C 1s line of (111) In{sub 2}O{sub 3} surface was carried out under HV (high vacuum) doses of oxygen, carbon monoxide and water. Gas interaction with the surface was activated by heating of In{sub 2}O{sub 3} monocrystalline film at temperatures of 160 or 250 °C. The study of complex structure of C 1 s line and evolution of its fine components allowed to establish their nature and to propose possible surface adsorbed species and reactions, including a direct chemisorption and dissociation of CO molecules. Reduction or oxidation of the surface determines whether the first (chemisorption) or the second (dissociation) process takes place. The latter is responsible for additional formation of ionosorbed oxygen. Both processes have not been previously reported for In{sub 2}O{sub 3} and for conductive metal oxides.

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

Science.gov (United States)

Qin, Dan; Ge, Xu-Jin; Lü, Jing-Tao

2018-05-01

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

Surface alloying in Sn/Au(111) at elevated temperature

Science.gov (United States)

Sadhukhan, Pampa; Singh, Vipin Kumar; Rai, Abhishek; Bhattacharya, Kuntala; Barman, Sudipta Roy

2018-04-01

On the basis of x-ray photoelectron spectroscopy, we show that when Sn is deposited on Au(111) single crystal surface at a substrate temperature TS=373 K, surface alloying occurs with the formation of AuSn phase. The evolution of the surface structure and the surface morphology has been studied by low energy electron diffraction and scanning tunneling microscopy, respectively as a function of Sn coverage and substrate temperatures.

Decomposition mechanism of formic acid on Cu (111) surface: A theoretical study

Energy Technology Data Exchange (ETDEWEB)

Jiang, Zhao, E-mail: jiangzhao@mail.xjtu.edu.cn; Qin, Pei; Fang, Tao

2017-02-28

Highlights: • Adsorption and decomposition mechanism of HCOOH on Cu (111) were investigated using DFT calculations. • The stable co-adsorption configurations of related intermediates were identified. • Five dissociation pathways of HCOOH via initial H−O, C−H and C−O bond scissions were considered and analyzed. - Abstract: The study of formic acid decomposition on transition metal surfaces is important to obtain useful information for vapor phase catalysis involving HCOOH and for the development of direct formic acid fuel cells. In this study, periodic density functional theory calculations have been employed to investigate the dissociation pathways of HCOOH on Cu (111) surface. About adsorption, it is found that the adsorption of HCOO, COOH, HCO, CO, OH and H on Cu (111) are considered chemisorption, whereas HCOOH, CO{sub 2}, H{sub 2}O and H{sub 2} have the weak interaction with Cu (111) surface. Furthermore, the minimum energy pathways are analyzed for the decomposition of HCOOH to CO{sub 2} and CO through the scission of H−O, C−H and C−O bonds. It is found that HCOOH, HCOO and COOH prefer to dissociate in the related reactions rather than desorb. For the decomposition, it is indicated that HCO and COOH are the main dissociated intermediates of trans-HCOOH, CO{sub 2} is the main dissociated intermediates of bidentate-HCOO, and CO is the main dissociated product of cis-COOH. The co-adsorbed H atom is beneficial for the formation of CO{sub 2} from cis-COOH. Besides, it is found that the most favorable path for HCOOH decomposition on Cu (111) surface is HCOOH-HCO-CO (Path 5), where the step of CO formation from HCO dehydrogenation is considered to be the rate-determining step. The results also show that CO is preferentially formed as the dominant product of HCOOH on Cu (111) surface.

HREEL study of c(53x9)rect-N structure on Ni(111) surface

International Nuclear Information System (INIS)

Papagno, M.; Pacile, D.; Giallombardo, C.; Cupolillo, A.; Papagno, L.

2005-01-01

In this work we have prepared and characterized by low energy electron diffraction (LEED) and high-resolution electron energy loss spectroscopy (HREELS) the Ni(111)-c(53x9)rect-N surface structure formed by saturating the Ni(111) surface with nitrogen atoms. This structure was obtained by the ion-gauge assisted N 2 exposure method. The loss spectra show features at 50 and 25meV assigned to the N-Ni vibration and to a phonon of the reconstructed surface, respectively. We also investigated the case in which the Ni(111) surface was covered with a low coverage of N atoms

Computational studies of experimentally observed structures of sulfur on metal surfaces

Energy Technology Data Exchange (ETDEWEB)

Alfonso, Dominic

2011-09-01

First-principles electronic structure calculations were carried out to examine the experimentally observed structures of sulfur on close packed surfaces of a number of important metals - Ag(111), Cu(111), Ni(111), Pt(111), Rh(111), Re(0001) and Ru(0001). At low coverages ({le} 1/3 ML), the prediction is consistent with the typical pattern of preferred sulfur occupancy of threefold hollow sites, notably the fcc site on the (111) surfaces and the hcp site on the (0001) surfaces. Theoretical confirmation for the existence of pure sulfur overlayer phases on Pt(111), Rh(111), Re(0001) and Ru(0001) at higher coverages (> 1/3 ML) was provided. For the ({radical}7 x {radical}7) phase seen on Ag(111), the most preferred structure identified for adsorbed S trimer consists of an S atom on the top site bonded to two S atoms situated on the nearest neighbor off-bridge site positions. Among the different densely packed mixed sulfur-metal overlayer models suggested for the ({radical}7 x {radical}7) phase on Cu(111), the structure which consists of metal and S atoms in a hexagonal-like arrangement on the top substrate was found to be the most energetically favorable. For the (5{radical}3 x 2) phase on Ni(111), the calculations confirm the existence of clock-reconstructed top layer metal atoms onto which sulfur atoms are adsorbed.

First principles study of the Ag nanoclusters adsorption effect on the photocatalytic properties of AgBr(1 1 0) surface

Science.gov (United States)

Chi, Yuhua; Zhao, Lianming; Li, Xue; Zhu, Houyu; Guo, Wenyue

2018-05-01

The electronic structures and photocatalytic performance of Agn/AgBr(1 1 0)(n = 7-13) are studied using density functional theory (DFT). The adsorption of Agn (n = 7-13) nanoclusters on AgBr(1 1 0) surface induces a new metal-induced gap band (MIGB) located between the valence band (VB) and the conduction band (CB), the variety of the electronic characters of AgBr(1 1 0) favor the visible and infrared light absorption, which improves the sunlight utilization. The dominant localization of the photo-excited electrons on the Agn clusters of Agn/AgBr(1 1 0)(n = 7-13) facilitates the oxidation-reduction reactions occurring on the surface and also effectively reduces the photolysis of AgBr under the sunlight irradiation. The overpotentials of the CB and VB edges indicate that photocatalytic conversion of CO2 with H2O to methanol is possible on AgBr(1 1 0) deposited with the Agn nanoclusters, which has been realized experimentally (An et al., 2012). The substantial strengthening of visible and infrared light absorption and the free energy profiles for the conversion of CO2 with H2O to methanol indicate that Ag13/AgBr(1 1 0) surface can be expected to be the excellent photocatalysts.

High surface enhanced Raman scattering activity of BN nanosheets–Ag nanoparticles hybrids

International Nuclear Information System (INIS)

Yang, Shanshan; Zhang, Zhaochun; Zhao, Jun; Zheng, Houli

2014-01-01

Highlights: • Boron nitride–silver nanohybrid was acquired through a liquid-phase reducing route. • The composite shown a high-quality SERS activity. • 2-Mercaptobenzimidazole was chemisorbed on silver surface in vertical orientation. -- Abstract: A facile liquid-phase reducing route was developed to modify boron nitride (BN) nanosheets with silver nanoparticles (AgNPs) in order to fabricate BN–AgNPs hybrids with high surface enhanced Raman scattering (SERS) activity. The layered structure and morphology of BN–AgNPs nanohybrids were characterized by transmission electron microscopy and atomic force microscopy, meanwhile, Fourier transform infrared spectroscopy and ultraviolet–visible were used for studying optical properties and surface plasmon resonance applied to the optical sensor. The SERS of adsorbed 2-mercaptobenzimidazole (MBI) molecule was investigated which shown that the BN–AgNPs substrate exhibited a very strong SERS activity, offering a great potential application in molecular probe sensor. On the basis of the analysis of SERS and the Raman surface selection rules, we could draw a conclusion that the MBI molecule was adsorbed upright on the AgNPs surface through the sulphur and nitrogen atoms. What is more, the cyclic voltammetry experiment indicated the electrochemically irreversible behavior of BN–AgNPs nanohybrids in KCl solution

Glass transition near the free surface studied by synchrotron radiation

Energy Technology Data Exchange (ETDEWEB)

Sikorski, M.

2008-06-15

A comprehensive picture of the glass transition near the liquid/vapor interface of the model organic glass former dibutyl phthalate is presented in this work. Several surface-sensitive techniques using x-ray synchrotron radiation were applied to investigate the static and dynamic aspects of the formation of the glassy state from the supercooled liquid. The amorphous nature of dibutyl phthalate close to the free surface was confirmed by grazing incidence X-ray diffraction studies. Results from X-ray reflectivity measurements indicate a uniform electron density distribution close to the interface excluding the possibility of surface freezing down to 175 K. Dynamics on sub-{mu}m length-scales at the surface was studied with coherent synchrotron radiation via x-ray photon correlation spectroscopy. From the analysis of the dispersion relation of the surface modes, viscoelastic properties of the dibutyl phthalate are deduced. The Kelvin-Voigt model of viscoelastic media was found to describe well the properties of the liquid/vapor interface below room temperature. The data show that the viscosity at the interface matches the values reported for bulk dibutyl phthalate. The scaled relaxation rate at the surface agrees with the bulk data above 210 K. Upon approaching the glass transition temperature the free surface was observed to relax considerably faster close to the liquid/vapor interface than in bulk. The concept of higher relaxation rate at the free surface is also supported by the results of the quasielastic nuclear forward scattering experiment, during which dynamics on molecular length scales around the calorimetric glass transition temperature is studied. The data were analyzed using mode-coupling theory of the glass transition and the model of the liquid(glass)/vapor interface, predicting inhomogeneous dynamics near the surface. The quasielastic nuclear forward scattering data can be explained when the molecular mobility is assumed to decrease with the increasing

Glass transition near the free surface studied by synchrotron radiation

International Nuclear Information System (INIS)

Sikorski, M.

2008-06-01

A comprehensive picture of the glass transition near the liquid/vapor interface of the model organic glass former dibutyl phthalate is presented in this work. Several surface-sensitive techniques using x-ray synchrotron radiation were applied to investigate the static and dynamic aspects of the formation of the glassy state from the supercooled liquid. The amorphous nature of dibutyl phthalate close to the free surface was confirmed by grazing incidence X-ray diffraction studies. Results from X-ray reflectivity measurements indicate a uniform electron density distribution close to the interface excluding the possibility of surface freezing down to 175 K. Dynamics on sub-μm length-scales at the surface was studied with coherent synchrotron radiation via x-ray photon correlation spectroscopy. From the analysis of the dispersion relation of the surface modes, viscoelastic properties of the dibutyl phthalate are deduced. The Kelvin-Voigt model of viscoelastic media was found to describe well the properties of the liquid/vapor interface below room temperature. The data show that the viscosity at the interface matches the values reported for bulk dibutyl phthalate. The scaled relaxation rate at the surface agrees with the bulk data above 210 K. Upon approaching the glass transition temperature the free surface was observed to relax considerably faster close to the liquid/vapor interface than in bulk. The concept of higher relaxation rate at the free surface is also supported by the results of the quasielastic nuclear forward scattering experiment, during which dynamics on molecular length scales around the calorimetric glass transition temperature is studied. The data were analyzed using mode-coupling theory of the glass transition and the model of the liquid(glass)/vapor interface, predicting inhomogeneous dynamics near the surface. The quasielastic nuclear forward scattering data can be explained when the molecular mobility is assumed to decrease with the increasing

AGS Spallation Target Experiment (ASTE) Collaboration

International Nuclear Information System (INIS)

Oyama, Yukio

1999-01-01

An experiment on mercury spallation target with high energy proton beam, called as the AGS Spallation Target Experiment (ASTE) Collaboration, has been performed at Alternating Gradient Synchrotron (AGS) of Brookhaven National Laboratory (BNL) in USA, in cooperation among the laboratories in Japan, Europe and USA. The experimental setup, scope and preliminary results are presented in the paper. (author)

Photoionization of rhodamine dyes adsorbed at the aqueous solution surfaces investigated by synchrotron radiation

International Nuclear Information System (INIS)

Seno, Koichiro; Ishioka, Toshio; Harata, Akira; Hatano, Yoshihiko

2002-01-01

Photoionization spectroscopy using synchrotron radiation as a photon source was applied to the aqueous solution surfaces of rhodamine B (RhB), rhodamine 6G (Rh6G), and rhodamine 101 (Rh101) with their concentration of 0-100 μmol dm -3 . Synchrotron radiation was irradiated upon the solution surface between two electrodes in the photon energy range of 4-7 eV, and photoionization current was measured by a pico-ammeter. The photocurrent for each of the rhodamine aqueous solution surface showed an increase with the photon energy above a threshold photon energy. The photoionization threshold of RhB at the aqueous solution surface was 5.6 eV, which was smaller than that in the gas phase. The intensity of photoionization current of Rh6G was smaller than that of RhB or Rh101. Photoionization processes and the state of Rhodamine dye molecules at the aqueous solution surface were discussed in connection with results of surface tension measurements. (author)

Surface assisted electric transport in Ag2S thin films

International Nuclear Information System (INIS)

Karashanova, D.; Starbov, N.

2006-01-01

Electric transport measurements of thickness-dependent electronic and ionic conductivity of epitaxial Ag 2 S films are used to split both kinds of conductivity into bulk and surface components. The established considerable electronic and ionic surface conductances demonstrate unambiguously the co-existance of electronic and ionic space charge regions in the vicinity of silver sulfide free surface oriented along the zone axes [1-bar 01-bar ]. The parameters of both space charge layers - surface potential, thickness of the space charge region and concentration of the surface compensating charges, are calculated. It is estimated that for intrinsic silver sulfide, the effective surface potential of (1-bar 01-bar ) Ag 2 S surface is negative, its value being about -610mV at 400K

Surface photo reaction processes using synchrotron radiation; Hoshako reiki ni yoru hyomenko hanno process

Energy Technology Data Exchange (ETDEWEB)

Imaizumi, Y. [Tohoku University, Sendai (Japan). Institute for Materials Research; Yoshigoe, A. [Toyohashi University of Technology, Aichi (Japan); Urisu, T. [Toyohashi University of Technology, Aichi (Japan). Institute for Molecular Science

1997-08-20

This paper introduces the surface photo reaction processes using synchrotron radiation, and its application. A synchrotron radiation process using soft X-rays contained in electron synchrotron radiated light as an excited light source has a possibility of high-resolution processing because of its short wave length. The radiated light can excite efficiently the electronic state of a substance, and can induce a variety of photochemical reactions. In addition, it can excite inner shell electrons efficiently. In the aspect of its application, it has been found that, if radiated light is irradiated on surfaces of solids under fluorine-based reaction gas or Cl2, the surfaces can be etched. This technology is utilized practically. With regard to radiated light excited CVD process, it may be said that anything that can be deposited by the ordinary plasma CVD process can be deposited. Its application to epitaxial crystal growth may be said a nano processing application in thickness direction, such as forming an ultra-lattice structure, the application being subjected to expectation. In micromachine fabricating technologies, a possibility is searched on application of a photo reaction process of the radiated light. 5 refs., 6 figs.

Performances of BNL high-intensity synchrotrons

International Nuclear Information System (INIS)

Weng, W.T.

1998-03-01

The AGS proton synchrotron was completed in 1960 with initial intensity in the 10 to the 10th power proton per pulse (ppp) range. Over the years, through many upgrades and improvements, the AGS now reached an intensity record of 6.3 x 10 13 ppp, the highest world intensity record for a proton synchrotron on a single pulse basis. At the same time, the Booster reached 2.2 x 10 13 ppp surpassing the design goal of 1.5 x 10 13 ppp due to the introduction of second harmonic cavity during injection. The intensity limitation caused by space charge tune spread and its relationship to injection energy at 50 MeV, 200 MeV, and 1,500 MeV will be presented as well as many critical accelerator manipulations. BNL currently participates in the design of an accumulator ring for the SNS project at Oak Ridge. The status on the issues of halo formation, beam losses and collimation are also presented

Oxidation-reduction induced roughening of platinum (111) surface

International Nuclear Information System (INIS)

You, H.; Nagy, Z.

1993-06-01

Platinum (111) single crystal surface was roughened by repeated cycles of oxidation and reduction to study dynamic evolution of surface roughening. The interface roughens progressively upon repeated cycles. The measured width of the interface was fit to an assumed pow law, W ∼t β , with β = 0.38(1). The results are compared with a simulation based on a random growth model. The fraction of the singly stepped surface apparently saturates to 0. 25 monolayer, which explains the apparent saturation to a steady roughness observed in previous studies

Carbon monoxide oxidation on a Au(111 surface modified by spontaneously deposited Ru

Directory of Open Access Journals (Sweden)

ROLF-JÜRGEN BEHM

2001-04-01

Full Text Available The spontaneous deposition of Ru on Au(111 was performed in 10-3 M RuCl3 + 0.5 M H2SO4 solution. The obtained surface was characterized by STM under potential control in 0.5 M H2SO4 solution. The coverage of the Au(111 terraces by deposited Ru was estimated by STM to be 0.02 ML. Step decoration could be noticed in the STM images, which indicates that the steps, as lined defects, are active sites for the nucleation of Ru monolayer islands, while the random distribution of Ru nuclei, observed on the terraces indicates point defects as active sites. The electrocatalytic activity of Au(111 surface modified by spontaneously deposited Ru was studied towards CO oxidation. The significant enhancement in the reaction rate compared to CO oxidation on a pure Au(111 surface, indicated that the edges of the deposited Ru islands were the active sites for the reaction.

Formation of Ag nanowires on graphite stepped surfaces. A DFT study

Science.gov (United States)

Ambrusi, Rubén E.; García, Silvana G.; Pronsato, María E.

2015-01-01

We investigate the feasibility of obtaining silver nanowires on graphite stepped surfaces theoretically, using density functional theory calculations. Three layer slabs are used to model graphite surfaces with and without defects. Adsorption energies for Ag atoms on graphite surfaces were calculated showing the preference of Ag adatoms to locate on the steps, forming linear structures like nanowires. An analysis of the charge densities and projected densities of states for different structures is also performed.

(Tl, Sb) and (Tl, Bi) binary surface reconstructions on Ge(111) substrate

Science.gov (United States)

Gruznev, D. V.; Bondarenko, L. V.; Tupchaya, A. Y.; Yakovlev, A. A.; Mihalyuk, A. N.; Zotov, A. V.; Saranin, A. A.

2018-03-01

2D compounds made of Group-III and Group-V elements on the surface of silicon and germanium attract considerable attention due to prospects of creating III-V binary monolayers, which are predicted to hold advanced physical properties. In the present work, we have investigated two such systems, (Tl, Sb)/Ge(111) and (Tl, Bi)/Ge(111) using scanning tunneling microscopy, low energy electron diffraction observations and density-functional-theory calculations. In addition to the previously reported surface structures of 2D (Tl, Sb) and (Tl, Bi) compounds on Si(111), we found new ones, namely, √{ 7} × √{ 7} and 3 × 3. Formation processes and plausible models of their atomic arrangements are discussed.

On the polarized beam acceleration in medium energy synchrotrons

International Nuclear Information System (INIS)

Lee, S.Y.

1992-01-01

This lecture note reviews physics of spin motion in a synchrotron, spin depolarization mechanisms of spin resonances, and methods of overcoming the spin resonances during acceleration. Techniques used in accelerating polarized ions in the low/medium energy synchrotrons, such as the ZGS, the AGS, SATURNE, and the KEK PS and PS Booster are discussed. Problems related to polarized proton acceleration with snakes or partial snake are also examined

On the polarized beam acceleration in medium energy synchrotrons

Energy Technology Data Exchange (ETDEWEB)

Lee, S.Y.

1992-12-31

This lecture note reviews physics of spin motion in a synchrotron, spin depolarization mechanisms of spin resonances, and methods of overcoming the spin resonances during acceleration. Techniques used in accelerating polarized ions in the low/medium energy synchrotrons, such as the ZGS, the AGS, SATURNE, and the KEK PS and PS Booster are discussed. Problems related to polarized proton acceleration with snakes or partial snake are also examined.

Atomic structure of diamond {111} surfaces etched in oxygen water vapor

International Nuclear Information System (INIS)

Theije, F.K. de; Reedijk, M.F.; Arsic, J.; Enckevort, W.J.P. van; Vlieg, E.

2001-01-01

The atomic structure of the {111} diamond face after oxygen-water-vapor etching is determined using x-ray scattering. We find that a single dangling bond diamond {111} surface model, terminated by a full monolayer of -OH fits our data best. To explain the measurements it is necessary to add an ordered water layer on top of the -OH terminated surface. The vertical contraction of the surface cell and the distance between the oxygen atoms are generally in agreement with model calculations and results on similar systems. The OH termination is likely to be present during etching as well. This model experimentally confirms the atomic-scale mechanism we proposed previously for this etching system

Probing droplets with biological colloidal suspensions on smart surfaces by synchrotron radiation micro- and nano-beams

KAUST Repository

Marinaro, Giovanni

2015-03-01

Droplets with colloidal biological suspensions evaporating on substrates with defined wetting properties generate confined environments for initiating aggregation and self-assembly processes. We describe smart micro- and nanostructured surfaces, optimized for probing single droplets and residues by synchrotron radiation micro- and nanobeam diffraction techniques. Applications are presented for Ac-IVD and β-amyloid (1-42) peptides capable of forming cross-β sheet structures. Complementary synchrotron radiation FTIR microspectroscopy addresses secondary structure formation. The high synchrotron radiation source brilliance enables fast raster-scan experiments. © 2015 Elsevier Ltd.

Probing droplets with biological colloidal suspensions on smart surfaces by synchrotron radiation micro- and nano-beams

KAUST Repository

Marinaro, Giovanni; Accardo, Angelo; Benseny-Cases, Nú ria; Burghammer, Manfred C.; Castillo-Michel, Hiram A.; Cotte, Marine; Dante, Silvia; De Angelis, Francesco De; Di Cola, Emanuela; Di Fabrizio, Enzo M.; Hauser, C.; Riekel, Christian

2015-01-01

Droplets with colloidal biological suspensions evaporating on substrates with defined wetting properties generate confined environments for initiating aggregation and self-assembly processes. We describe smart micro- and nanostructured surfaces, optimized for probing single droplets and residues by synchrotron radiation micro- and nanobeam diffraction techniques. Applications are presented for Ac-IVD and β-amyloid (1-42) peptides capable of forming cross-β sheet structures. Complementary synchrotron radiation FTIR microspectroscopy addresses secondary structure formation. The high synchrotron radiation source brilliance enables fast raster-scan experiments. © 2015 Elsevier Ltd.

Surface assisted oxidation of flat lying organic molecules - a real-time STM study

Energy Technology Data Exchange (ETDEWEB)

Waldmann, Thomas; Roos, Michael; Breitruck, Achim; Hoster, Harry E.; Behm, R. Juergen [Institute of Surface Chemistry and Catalysis, Ulm University, D-89069 Ulm (Germany); Kuenzel, Daniela; Gross, Axel [Institute of Theoretical Chemistry, Ulm University, D-89069 Ulm (Germany)

2010-07-01

Using time resolved scanning tunneling microscopy (STM), we tested the interaction of O{sub 2} from gas-phase with ordered adlayers of the Bis(terpyridine) derivative 2,4'-BTP on Au(111), Ag(111) and graphite (HOPG) surfaces at T = 300 K. At an O{sub 2} pressure of 10{sup -5} mbar, the adlayers on Ag(111) undergo chemical and structural changes. These include modifications of the 2-pyridyl rings of individual 2,4'-BTP adsorbates and rearrangements of the hydrogen bonded adlayer. Since we do not observe similar changes on HOPG and Au(111), we assume that Ag(111) acts as catalyst for the underlying processes. Based on our STM data in combination with DFT calculations, we conclude that the observed reaction is pyridyl-N-oxide formation. Furthermore, we derive reaction yields, enantiomeric excess, reaction rates and reaction orders from the time-resolved STM data.

Manipulation of surface morphology of flower-like Ag/ZnO nanorods to enhance photocatalytic performance

Science.gov (United States)

U-thaipan, Kasira; Tedsree, Karaked

2018-06-01

The surface morphology of flower-like Ag/ZnO nanorod can be manipulated by adopting different synthetic routes and also loading different levels of Ag in order to alter their surface structures to achieve the maximum photocatalytic efficiency. In a single-step preparation method Ag/ZnO was prepared by heating directly a mixture of Zn2+ and Ag+ precursors in an aqueous NaOH-ethylene glycol solution, while in the two-step preparation method an intermediate of flower-shaped ZnO nanorod was obtained by a hydrothermal process before depositing Ag particles on the ZnO surfaces by chemical reduction. The structure, morphology and optical properties of the synthesized samples were characterized using TEM, SEM, XRD, DRS and PL techniques. The sample prepared by single-step method are characterized with agglomeration of Ag atoms as clusters on the surface of ZnO, whereas in the sample prepared by two-step method Ag atoms are found uniformly dispersed and deposited as discrete Ag nanoparticles on the surface of ZnO. A significant enhancement in the adsorption of visible light was evident for Ag/ZnO samples prepared by two-step method especially with low Ag content (0.5 mol%). The flower-like Ag/ZnO nanorod prepared with 0.5 mol% Ag by two-step process was found to be the most efficient photocatalyst for the degradation of phenol, which can decompose 90% of phenol within 120 min.

Formation of Surface and Quantum-Well States in Ultra Thin Pt Films on the Au(111 Surface

Directory of Open Access Journals (Sweden)

Igor V. Silkin

2017-12-01

Full Text Available The electronic structure of the Pt/Au(111 heterostructures with a number of Pt monolayers n ranging from one to three is studied in the density-functional-theory framework. The calculations demonstrate that the deposition of the Pt atomic thin films on gold substrate results in strong modifications of the electronic structure at the surface. In particular, the Au(111 s-p-type Shockley surface state becomes completely unoccupied at deposition of any number of Pt monolayers. The Pt adlayer generates numerous quantum-well states in various energy gaps of Au(111 with strong spatial confinement at the surface. As a result, strong enhancement in the local density of state at the surface Pt atomic layer in comparison with clean Pt surface is obtained. The excess in the density of states has maximal magnitude in the case of one monolayer Pt adlayer and gradually reduces with increasing number of Pt atomic layers. The spin–orbit coupling produces strong modification of the energy dispersion of the electronic states generated by the Pt adlayer and gives rise to certain quantum states with a characteristic Dirac-cone shape.

Enhanced photocatalysts based on Ag-TiO2 and Ag-N-TiO2 nanoparticles for multifunctional leather surface coating

Directory of Open Access Journals (Sweden)

Gaidau Carmen

2016-01-01

Full Text Available The Ag deposition on TiO2 nanoparticles (Ag-TiO2 NPs and N-TiO2 nanoparticles (Ag-N-TiO2 NPs has been made by electrochemical methodology in view of improved antibacterial properties and enhanced photocatalytic activity under visible light irradiation. The particle size in powder and in dispersion showed similar values and good stability in aqueous medium which made them suitable for use in leather surface covering for new multifunctional properties development. The diffuse reflectance spectra of Ag-TiO2 NPs, Ag-N-TiO2 NPs and TiO2 NPs have been investigated and correlated with their photocatalytic performances under UV and visible light against different silver concentrations. The leather surfaces treated with Ag-N-TiO2 NPs showed advanced self-cleaning properties under visible light exposure through the hydrophilic mechanism of organic soil decomposition. Moreover the bacterial sensitivity and proven fungitoxic properties of Ag-N-TiO2 NPs leads to the possibility of designing new multifunctional additives to extend the advanced applications for more durable and useable materials.

Surface morphology of laser superheated Pb(111)

Energy Technology Data Exchange (ETDEWEB)

Zhang, Z. H.; Lin, Bo; Zeng, X. L.; Elsayed-Ali, H. E.

1998-05-01

The step density on the vicinal Pb(111) surface after laser superheating and melting is investigated using reflection high-energy electron diffraction. The (00) beam profiles parallel and perpendicular to the incident beam are analyzed. For laser heating with ˜100 ps laser pulses, surface superheating does not significantly change the density of the steps and step edge roughness. A sudden increase in the average terrace width is observed after laser surface melting. The average terrace width and the string length at the step edge become as large as those at room temperature. The average terrace width at 573 K changes from 38±15 to 64±19 Å after laser surface melting, while the average string length at the step edge changes from 50±12 to 250±38 Å.

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

The phases of Pb/Ge(111): A surface X-ray diffraction study

International Nuclear Information System (INIS)

Grey, F.

1988-03-01

This report describes the results of several surface X-ray diffraction measurements of a chemisorbed overlayer of Pb on the Ge(111) surface. Three phases of Pb/Ge(111) exist in the monolayer regime: the α- and β-phases with a √3x√3R30 0 unit cell, and a high-temperature 1x1 phase. In the 1x1 phase of Pb/Ge(111), isotropic X-ray scattering is observed consistent with a two-dimensional liquid phase. Measurements of the integer-order Bragg reflections through the √3x√3R30 0 →1x1 transition confirm the liquid-like nature of the 1x1 phase, and show that the liquid layer is modulated by the periodic potential of the substrate. By measuring variations of the (2/3,2/3) surface Bragg reflection from the √3x√3R30 0 phase as a function of temperature and coverage, a simple phase diagram for Pb/Ge(111) is deduced. Below 1/3ML (where 1 ML is one Pb atom per Ge surface atom) the α-phase coexists with the 1x1 phase. Between 1/3ML and 4/3ML, α- and β-phases form a two-phase system displaying phase separation. Analogies with simple theoretical phase diagrams are emphasized. (orig.) With 11 tabs., 40 figs., 67 refs

All-(111) surface silicon nanowire field effect transistor devices: Effects of surface preparations

NARCIS (Netherlands)

Masood, M.N.; Carlen, Edwin; van den Berg, Albert

2014-01-01

Etching/hydrogen termination of All-(111) surface silicon nanowire field effect (SiNW-FET) devices developed by conventional photolithography and plane dependent wet etchings is studied with X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), atomic force microscopy (AFM) and

Enhanced resolution imaging of ultrathin ZnO layers on Ag(111) by multiple hydrogen molecules in a scanning tunneling microscope junction

Science.gov (United States)

Liu, Shuyi; Shiotari, Akitoshi; Baugh, Delroy; Wolf, Martin; Kumagai, Takashi

2018-05-01

Molecular hydrogen in a scanning tunneling microscope (STM) junction has been found to enhance the lateral spatial resolution of the STM imaging, referred to as scanning tunneling hydrogen microscopy (STHM). Here we report atomic resolution imaging of 2- and 3-monolayer (ML) thick ZnO layers epitaxially grown on Ag(111) using STHM. The enhanced resolution can be obtained at a relatively large tip to surface distance and resolves a more defective structure exhibiting dislocation defects for 3-ML-thick ZnO than for 2 ML. In order to elucidate the enhanced imaging mechanism, the electric and mechanical properties of the hydrogen molecular junction (HMJ) are investigated by a combination of STM and atomic force microscopy. It is found that the HMJ shows multiple kinklike features in the tip to surface distance dependence of the conductance and frequency shift curves, which are absent in a hydrogen-free junction. Based on a simple modeling, we propose that the junction contains several hydrogen molecules and sequential squeezing of the molecules out of the junction results in the kinklike features in the conductance and frequency shift curves. The model also qualitatively reproduces the enhanced resolution image of the ZnO films.

An oil-in-water self-assembly synthesis, characterization and photocatalytic properties of nano Ag@AgCl surface-sensitized K2Ti4O9

International Nuclear Information System (INIS)

Liang, Yinghua; Lin, Shuanglong; Liu, Li; Hu, Jinshan; Cui, Wenquan

2014-01-01

Highlights: • The plasmatic Ag@AgCl surface-sensitized K 2 Ti 4 O 9 composite photocatalysts. • Ag@AgCl greatly increased visible light absorption for K 2 Ti 4 O 9 . • The photocatalysts exhibited enhanced photocatalytic dye degradation. - Abstract: Nano-sized plasmonic Ag@AgCl surface-sensitized K 2 Ti 4 O 9 composite photocatalysts (hereafter designated as Ag@AgCl/K 2 Ti 4 O 9 ) was synthesized via a facile oil-in-water self-assembly method. The photocatalytic activity of the prepared materials for RhB (Rhodamine B) degradation was examined under visible light irradiation. The results reveal that the size of Ag@AgCl, which evenly dispersed on the surface of K 2 Ti 4 O 9 , distributes about 20–50 nm. The UV–vis diffuse reflectance spectra indicate that Ag@AgCl/K 2 Ti 4 O 9 samples have a significantly enhanced optical absorption in 380–700 nm. The photocatalytic activities of the Ag@AgCl/K 2 Ti 4 O 9 samples increase first and then decrease with increasing amount of loading Ag@AgCl and the Ag@AgCl(20 wt.%)/K 2 Ti 4 O 9 sample exhibits the best photocatalytic activity and 94.47% RhB was degraded after irradiation for 2 h. Additionally, studies performed using radical scavengers indicated that O 2 · − and Cl 0 acted as the main reactive species. The electronic interaction was systematically studied and confirmed by the photo-electrochemical measurements

Structural and electronic properties of polar MnO ultrathin film grown on Ag(111)

Energy Technology Data Exchange (ETDEWEB)

Kundu, Asish K., E-mail: asish.kundu@saha.ac.in; Menon, Krishnakumar S. R. [Surface Physics and Material Science Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 70064 (India)

2016-05-23

Surface electronic structure of ultrathin polar MnO film was studied by Low-energy Electron Diffraction (LEED) and Photoemission Spectroscopic (PES) techniques. Epitaxial monolayer to facet formation with increasing film thickness has been observed by LEED. Our LEED result shows p(2x2) surface reconstruction along with facet formation, stabilize the polar MnO(111) surface. The core levels and the valence band electronic structure of MnO films have been studied as a function of film thickness using X-ray and ultraviolet photoelectron spectroscopy techniques.

In-situ STM study of phosphate adsorption on Cu(111), Au(111) and Cu/Au(111) electrodes

DEFF Research Database (Denmark)

Schlaup, Christian; Horch, Sebastian

2013-01-01

The interaction of Cu(111), Au(111) and Cu-covered Au(111) electrodes with a neutral phosphate buffer solution has been studied by means of cyclic voltammetry (CV) and in situ electrochemical scanning tunneling microscopy (EC-STM). Under low potential conditions, both the Cu(111) and the Au(111......) surface appear apparently adsorbate free, indicated by the presence of a (4×4) structure and the herringbone surface reconstruction, respectively. Upon potential increase, phosphate anions adsorb on both surfaces and for Cu(111) the formation of a (√3×√3)R30° structure is found, whereas on Au(111) a "(√3......×√7)" structure is formed. For a Cu-submonolayer on Au(111), coadsorption of phosphate anions leads to the formation of a (2×2) vacancy structure within an assumed pseudomorphic structure of the Cu-submonolayer with the phosphate anions occupying the vacancies. When desorbing the phosphate anions at low...

Coating of hydroxyapatite doped Ag on commercially pure titanium surface; Recobrimento de hidroxiapatita dopada com Ag sobre superficie de titanio comercialmente puro

Energy Technology Data Exchange (ETDEWEB)

Vieira, Jonas de Oliveira; Vercik, Luci Cristina de Oliveira; Rigo, Eliana Cristina da Silva, E-mail: jonasvieira@usp.br [Universidade de Sao Paulo (USP), SP (Brazil)

2012-07-01

This paper presents results of bioactive coating on commercially pure titanium surface (CpTi) doped with Ag ions. The coating consists of 3 steps, in step 1- surface chemical treatment of the samples with NaOH, step 2 - immersing the substrate in question in a sodium silicate solution (SS) to the nucleation and step 3 - reimmersion these substrates in synthetic solution that simulates the blood serum for precipitation and growth of apatite layer. After the coating step the AgNO{sub 3} substrates were immersed in solutions with concentrations of 20 ppm and 100 ppm at 37 ° C for 48h. The substrates were characterized by scanning electron microscopy (SEM), infrared spectroscopy (IR) and X-ray diffraction (XRD). By the results verified the formation of an apatite layer with aspects of cells, on the surface of CpTi. The increase in Ag concentration causes an increase in Ag amount doped in apatite layer. With the results we concluded that it is possible to obtain an apatite layer on a metal surface as the CpTi doped with Ag ions.

Surface tension estimation of high temperature melts of the binary alloys Ag-Au

Science.gov (United States)

Dogan, Ali; Arslan, Hüseyin

2017-11-01

Surface tension calculation of the binary alloys Ag-Au at the temperature of 1381 K, where Ag and Au have similar electronic structures and their atomic radii are comparable, are carried out in this study using several equations over entire composition range of Au. Apparently, the deviations from ideality of the bulk solutions, such as activities of Ag and Au are small and the maximum excess Gibbs free energy of mixing of the liquid phase is for instance -4500 J/mol at XAu = 0.5. Besides, the results obtained in Ag-Au alloys that at a constant temperature the surface tension increases with increasing composition while the surface tension decreases as the temperature increases for entire composition range of Au. Although data about surface tension of the Ag-Au alloy are limited, it was possible to make a comparison for the calculated results for the surface tension in this study with the available experimental data. Taken together, the average standard error analysis that especially the improved Guggenheim model in the other models gives the best agreement along with the experimental results at temperature 1383 K although almost all models are mutually in agreement with the other one.

Observation of multiphase magnetic state of hematite crystal during Morin transition by the method of section topography of synchrotron radiation

International Nuclear Information System (INIS)

Shchetinkin, S.A.; Kvardakov, V.V.; Viler, Eh.; Barushel', Zh.; Shlenker, M.

2005-01-01

The boundaries between weak ferromagnetic and antiferromagnetic phases in hematite crystals during Morin transition are detected by the section topography method by synchrotron radiation. It is shown that these boundaries are parallel to (111) surface hence magnetic phases during Morin transition separate the crystal by layers. Change of layer depth in dependence on temperature and magnetic field, and interaction interphase boundaries with crystal defects are observed [ru

Scanning tunneling microscopy/spectroscopy of picene thin films formed on Ag(111)

Energy Technology Data Exchange (ETDEWEB)

Yoshida, Yasuo, E-mail: yyoshida@issp.u-tokyo.ac.jp; Yokosuka, Takuya; Hasegawa, Yukio, E-mail: hasegawa@issp.u-tokyo.ac.jp [The Institute of Solid State Physics, The University of Tokyo, Kashiwa 277-8581 (Japan); Yang, Hung-Hsiang [Department of Physics, National Taiwan University, Taipei 106, Taiwan (China); Huang, Hsu-Sheng; Guan, Shu-You; Su, Wei-Bin; Chang, Chia-Seng [Institute of Physics, Academia Sinica, Nankang, Taipei 11529, Taiwan (China); Yanagisawa, Susumu [Department of Physics and Earth Science Department, University of the Ryukyus, 1 Nishihara, Okinawa 903-0213 (Japan); Lin, Minn-Tsong [Department of Physics, National Taiwan University, Taipei 106, Taiwan (China); Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan (China); Hoffmann, Germar [The Institute of Solid State Physics, The University of Tokyo, Kashiwa 277-8581 (Japan); Department of Physics, National Tsing Hua University, Hsinchu 30013, Taiwan (China)

2014-09-21

Using ultrahigh-vacuum low-temperature scanning tunneling microscopy and spectroscopy combined with first principles density functional theory calculations, we have investigated structural and electronic properties of pristine and potassium (K)-deposited picene thin films formed in situ on a Ag(111) substrate. At low coverages, the molecules are uniformly distributed with the long axis aligned along the [112{sup ¯}] direction of the substrate. At higher coverages, ordered structures composed of monolayer molecules are observed, one of which is a monolayer with tilted and flat-lying molecules resembling a (11{sup ¯}0) plane of the bulk crystalline picene. Between the molecules and the substrate, the van der Waals interaction is dominant with negligible hybridization between their electronic states; a conclusion that contrasts with the chemisorption exhibited by pentacene molecules on the same substrate. We also observed a monolayer picene thin film in which all molecules were standing to form an intermolecular π stacking. Two-dimensional delocalized electronic states are found on the K-deposited π stacking structure.

Antibacterial and microstructure properties of titanium surfaces modified with Ag-incorporated nanotube arrays

Energy Technology Data Exchange (ETDEWEB)

Li, Guangzhong; Cheng, Li [State Key Laboratory of Porous Metal Materials, Northwest Institute for Nonferrous Metal Research (China); Yang, Hui-lin [Department of Orthopaedics, Wuxi People' s Hospital, Nanjing Medical University, Jiangsu Province (China); Zhao, Quan-ming, E-mail: abc8385@163.com [Department of Orthopaedics, The First Affiliated Hospital of Soochow University, Suzhou (China)

2016-07-15

Although titanium (Ti) and its alloys have been widely used as implants in clinical settings, failures still occur mainly due to poor bioactivity and implant-associated infections. Here, we coated Ti implants with TiO{sub 2} nanotubes (TNTs) incorporated with the antibacterial agent Ag to produce Ag-TNTs, through anodization in AgNO{sub 3} and xenon light irradiation. We characterized surface morphology and composition of the coating with scanning electron microscopy (SEM) and X-ray diffraction (XRD), respectively. We investigated surface topography of the coatings by atomic force microscopy (AFM) operated in the tapping mode. The results indicate that Ag was successfully doped onto the TNTs, and that the nanoparticles were mainly distributed on the surface of TNTs. Finally, our antibacterial experiments reveal that Ag-TNTs on Ti implants exhibit excellent antibacterial activities, which promises to have significant clinical applications as implants. (author)

Nitrogen ion induced nitridation of Si(111) surface: Energy and fluence dependence

Energy Technology Data Exchange (ETDEWEB)

Kumar, Praveen [Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064 (India); ISOM, Universidad Politecnia de Madrid, 28040 (Spain); Kumar, Mahesh [Physics and Energy Harvesting Group, National Physical Laboratory, New Delhi 110012 (India); Nötzel, R. [ISOM, Universidad Politecnia de Madrid, 28040 (Spain); Shivaprasad, S.M., E-mail: smsprasad@jncasr.ac.in [Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064 (India)

2014-06-01

We present the surface modification of Si(111) into silicon nitride by exposure to energetic N{sub 2}{sup +} ions. In-situ UHV experiments have been performed to optimize the energy and fluence of the N{sub 2}{sup +} ions to form silicon nitride at room temperature (RT) and characterized in-situ by X-ray photoelectron spectroscopy. We have used N{sub 2}{sup +} ion beams in the energy range of 0.2–5.0 keV of different fluence to induce surface reactions, which lead to the formation of Si{sub x}N{sub y} on the Si(111) surface. The XPS core level spectra of Si(2p) and N(1s) have been deconvoluted into different oxidation states to extract qualitative information, while survey scans have been used for quantifying of the silicon nitride formation, valence band spectra show that as the N{sub 2}{sup +} ion fluence increases, there is an increase in the band gap. The secondary electron emission spectra region of photoemission is used to evaluate the change in the work function during the nitridation process. The results show that surface nitridation initially increases rapidly with ion fluence and then saturates. - Highlights: • A systematic study for the formation of silicon nitride on Si(111). • Investigation of optimal energy and fluence for energetic N{sub 2}{sup +} ions. • Silicon nitride formation at room temperature on Si(111)

TXRF with synchrotron radiation. Analysis of Ni on Si-wafer surfaces

Energy Technology Data Exchange (ETDEWEB)

Wobrauschek, P [Atominstitut der Oesterreichischen Universitaeten, Vienna (Austria); Kregsamer, P [Atominstitut der Oesterreichischen Universitaeten, Vienna (Austria); Ladisich, W [Atominstitut der Oesterreichischen Universitaeten, Vienna (Austria); Streli, C [Atominstitut der Oesterreichischen Universitaeten, Vienna (Austria); Pahlke, S [Wacker Chemitronic GmbH, D-84479 Burghausen (Germany); Fabry, L [Wacker Chemitronic GmbH, D-84479 Burghausen (Germany); Garbe, S [Institut fuer Anorg. u. Angew. Chemie, Universitaet Hamburg, Martin-Luther King-Pl.6, D-20146 Hamburg (Germany); Haller, M [Institut fuer Anorg. u. Angew. Chemie, Universitaet Hamburg, Martin-Luther King-Pl.6, D-20146 Hamburg (Germany); Knoechel, A [Institut fuer Anorg. u. Angew. Chemie, Universitaet Hamburg, Martin-Luther King-Pl.6, D-20146 Hamburg (Germany); Radtke, M [Institut fuer Anorg. u. Angew. Chemie, Universitaet Hamburg, Martin-Luther King-Pl.6, D-20146 Hamburg (Germany)

1995-09-11

SR-TXRF (Synchrotron Radiation excited Total Reflection X-ray Fluorescence Analysis) with monoenergetic radiation produced by a W/C multilayer monochromator has been applied to the analysis of Ni on a Si-wafer surface. An intentionally contaminated wafer with 100 pg has been used to determine the detection limits. 13 fg have been achieved for Ni at a beam current of 73 mA and extrapolated to 1000 s. This technique simulates the sample preparation technique of Vapour Phase Decomposition (VPD) on a wafer surface. (orig.).

TXRF with synchrotron radiation. Analysis of Ni on Si-wafer surfaces

International Nuclear Information System (INIS)

Wobrauschek, P.; Kregsamer, P.; Ladisich, W.; Streli, C.; Pahlke, S.; Fabry, L.; Garbe, S.; Haller, M.; Knoechel, A.; Radtke, M.

1995-01-01

SR-TXRF (Synchrotron Radiation excited Total Reflection X-ray Fluorescence Analysis) with monoenergetic radiation produced by a W/C multilayer monochromator has been applied to the analysis of Ni on a Si-wafer surface. An intentionally contaminated wafer with 100 pg has been used to determine the detection limits. 13 fg have been achieved for Ni at a beam current of 73 mA and extrapolated to 1000 s. This technique simulates the sample preparation technique of Vapour Phase Decomposition (VPD) on a wafer surface. (orig.)

Pulsed melting of silicon (111) and (100) surfaces simulated by molecular dynamics

International Nuclear Information System (INIS)

Abraham, F.F.; Broughton, J.Q.

1986-01-01

The pulsed heating of Si (100) and (111) surfaces has been simulated by molecular dynamics. The (111) crystal-melt interface propagates by layer-by-layer growth whereas the (100) interface grows in a continuous fashion. The equilibrium crystal-melt interface is sharp for the (111) orientation and broad for the (100) orientation. These simulations are the first use of nonpairwise potentials to study interfaces between condensed phases, and the results support models of interfaces which heretofore had to be deduced from indirect experimental information

Angular dependence of Auger signals from a GaAs (111) surface

International Nuclear Information System (INIS)

Barnard, W.O.

1984-03-01

This dissertation is concerned with the angular dependence of the L 3 M 4 M 4 1067 eV Ga and L 3 M 4 M 4 1228 eV As Auger electron signals from a (111) GaAs surface, using a system which is equipped with a cylindrical mirror analyser. Following a detailed discussion of the Auger process, a review is given of angular effects in the emission excitation and detection of Auger signals. Present theories are discussed and an empirical theory is developed to test the experimental results obtained in this study. The experimental procedures and equipment used are presented. It was found that the Auger signals show a strong variation with the angle of rotation about the normal of a GaAs surface. Furthermore, the nature of the angular spectra of the Ga and As signals are interchanged when the electron beam incident surface is changed from (111) to (111). The main features of the angular variation of the quasi-elastic backscattered signal is reflected in the corresponding Ga and As Auger angular spectra. The angular dependence of the quasi-elastic backscattered signal can be explained semi-quantitatively in terms of the empirical theory. Theoretical arguments are presented which suggest that the Auger signals should show an angular dependence similar to the quasi-elastic backscattered signal. Evidence was found that geometric screening-off of underlying atoms by surface and near surface atoms influence the Auger yield

Controlled synthesis and photocatalytic properties of rhombic dodecahedral Ag3PO4 with high surface energy

International Nuclear Information System (INIS)

Xie, Yao; Huang, Zhaohui; Zhang, Zhijie; Zhang, Xiaoguang; Wen, Ruilong; Liu, Yangai; Fang, Minghao; Wu, Xiaowen

2016-01-01

Graphical abstract: The high amount of rhombic dodecahedral Ag 3 PO 4 particles with a high exposure of the {110} facets and high surface energy (the surface energy of the {110} facets was 1.31 J/m 2 , greater than that of the {100} facet (1.12 J/m 2 ).) exhibited excellent photocatalytic activity. - Highlights: • High contents of rhombic dodecahedral Ag 3 PO 4 photocatalysts are prepared. • Excessive EG can destroy the morphology of Ag 3 PO 4 in synthesis process. • The rhombic dodecahedral Ag 3 PO 4 exhibits high surface energy. • High surface energy implies high photocatalytic activity. - Abstract: In this study, a series of Ag 3 PO 4 photocatalysts with different contents of rhombic dodecahedral particles were prepared in one pot by a facile, novel hydrothermal method using ethylene glycol (EG), which served as both a morphology modifier and reducing agent. The effects of EG content on the morphologies of Ag 3 PO 4 photocatalysts were discussed. The photocatalytic activity of the Ag 3 PO 4 photocatalysts was evaluated by the degradation of methylene blue trihydrate under visible-light irradiation. With the use of 0.8% EG in the reaction solvent, the sample exhibited excellent photocatalytic activity, attributed to the high amount of rhombic dodecahedral Ag 3 PO 4 particles with a high exposure of the {110} facets and high surface energy. The surface energy of the {110} facets was 1.31 J/m 2 , greater than that of the {100} facet (1.12 J/m 2 ). However, with 1% EG in the reaction solvent, although the Ag 3 PO 4 photocatalysts were composed of a majority of rhombic dodecahedral Ag 3 PO 4 particles, tiny Ag particles formed from Ag + under the action of EG attached on the surface of the sample decreased the absorption of visible light, resulting in low photocatalytic activity.

Intermixing, band alignment and charge transport in AgIn5S8/CuI heterojunctions

International Nuclear Information System (INIS)

Konovalov, I.; Makhova, L.; Hesse, R.; Szargan, R.

2005-01-01

Possibilities of creating photovoltaic devices using CuI/AgIn 5 S 8 heterojunctions are considered. Among other properties, preferential formation of polar (111) surfaces makes n-type AgIn 5 S 8 an attractive candidate for absorber layers of top cells in 4-terminal tandem structures. Cu-Ag exchange at the interface with p-type CuI was observed. This intermixing results in an additional component of Ag 3d5 photoelectron line after deposition of CuI, in the Cu (but not I) contamination of the surface after a chemical removal of CuI, and in a photoelectric sensitivity of the junction at energies below the band gaps. Valence band offsets of 0.4 and 0.5 eV (cliff) were found at interfaces with thin film and bulk AgIn 5 S 8 , supporting a conduction mechanism through interface recombination. Pinning conflict at the interface between materials with contradictory doping limitations is likely to promote the intermixing

Surface reactivity of Ge[111] for organic functionalization by means of a radical-initiated reaction: A DFT study

Energy Technology Data Exchange (ETDEWEB)

Rubio-Pereda, Pamela, E-mail: rubio.pereda@gmail.com [Centro de Investigación Científica y de Educación Superior de Ensenada 3918, Código Postal 22860, Ensenada, Baja California (Mexico); Takeuchi, Noboru, E-mail: takeuchi@cnyn.unam.mx [Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México, Apartado Postal 14, Código Postal 22800, Ensenada, Baja California (Mexico)

2016-08-30

Highlights: • The surface reactivity of the Ge [111] surface is studied with DFT for the attachment of organic molecules by means of a radical-initiated reaction. • A hydrogen vacancy in the hydrogen terminated Ge [111] surface exhibits an accumulation of charge and electron pairing. • These characteristics make the hydrogen vacancy less reactive for the attachment of unsaturated organic molecules. • The adsorption of acetylene is probable to occur while the adsorption of ethylene and styrene is substantially less probable to occur. • The hydrogen terminated Ge [111] surface is found to be less reactive than its two-dimensional analogue, the hydrogen-terminated germanene. - Abstract: The study of interfacial chemistry at semiconductor surfaces has become an important area of research. Functionalities such as molecular recognition, biocompatibility of surfaces, and molecular computing, could be achieved by the combinations of organic chemistry with the semiconductor technology. One way to accomplish this goal is by means of organic functionalization of semiconductor surfaces such as the bulk-terminated germanium surfaces, more specifically the Ge[111]. In this work, we theoretically study, by applying density functional theory, the surface reactivity of the bulk-terminated Ge[111] surface for organic functionalization by means of a radical-initiated reaction of unsaturated molecules such as acetylene, ethylene and styrene with a hydrogen vacancy on a previously hydrogen-terminated Ge[111] surface. Results derived from this work are compared with those obtained in our previous calculations on the germanene surface, following the same chemical route. Our calculations show an accumulation of electronic charge at the H-vacancy having as a result electron pairing due to strong lattice-electron coupling and therefore a diminished surface reactivity. Calculation of the transition states for acetylene and ethylene indicates that the surface reactivity of the

Survey of surface roughness properties of synchrotron radiation optics

International Nuclear Information System (INIS)

Takacs, P.Z.; Colbert, J.; Church, E.L.

1986-03-01

Measurements of surface roughness were made on a large number of grazing incidence mirrors delivered for use at the National Synchrotron Light Source (NSLS) at Brookhaven National Laboratory. The measurements were made with a WYKO optical profiler using a 2.5X and a 10X objective and analyzed with our PROFILE code to generate an average periodogram representation for each surface. The data is presented in the form of representative profiles with all of the periodogram curves arranged according to figure type. Analysis of the periodograms allows one to compute bandwidth-limited values for RMS roughness and slope, to provide valuable feedback information to manufacturers regarding compliance with specifications, and to predict the performance of the optic at x-ray wavelengths

Adsorption of carbon monoxide on the Si(111)-7 × 7 surface

Energy Technology Data Exchange (ETDEWEB)

Shong, Bonggeun, E-mail: bshong@cnu.ac.kr

2017-05-31

Highlights: • Detailed chemistry of CO with the Si(111)-7 × 7 surface is computationally studied. • On-top on rest-atoms and back-bond insertion on adatoms are suggested geometries. • The two structures exhibit no activation barrier for adsorption and significant stability. • Geometrical and spectroscopic properties of CO adsorbates are predicted. • Direction of the interfacial charge transfer depends on the bonding configuration. - Abstract: The adsorption of CO and surface chemistry of Si are well-understood topics in surface science. However, research into the adsorption of CO on the Si(111)-7 × 7 surface is deficient. In this study, the adsorption of CO on Si(111)-7 × 7 is investigated via high-level density functional theory calculations using cluster model. Two adsorption configurations are found to be kinetically and thermodynamically viable: on-top on rest-atoms and back-bond insertion on adatoms, both binding to the surface via C atom. Structural, electronic, and spectroscopic properties of the adsorbates indicate a σ-donating/π-accepting nature of the CO−Si bonds in both configurations. The domination of σ-donation in the on-top configuration results in a net positive charge on the on-top adsorbate, and the opposite situation yields a net negative charge on the back-bond insertion adsorbates. Our study provides a detailed understanding of the previous experimental observations of fundamental surface chemical phenomena, suggesting possible applications of Si surface functionalization using CO.

Analysis of the Si(111) surface prepared in chemical vapor ambient for subsequent III-V heteroepitaxy

International Nuclear Information System (INIS)

Zhao, W.; Steidl, M.; Paszuk, A.; Brückner, S.; Dobrich, A.; Supplie, O.; Kleinschmidt, P.; Hannappel, T.

2017-01-01

Highlights: • We investigate the Si(111) surface prepared in CVD ambient at 1000 °C in 950 mbar H_2. • UHV-based XPS, LEED, STM and FTIR as well as ambient AFM are applied. • After processing the Si(111) surface is free of contamination and atomically flat. • The surface exhibits a (1 × 1) reconstruction and monohydride termination. • Wet-chemical pretreatment and homoepitaxy are required for a regular step structure. - Abstract: For well-defined heteroepitaxial growth of III-V epilayers on Si(111) substrates the atomic structure of the silicon surface is an essential element. Here, we study the preparation of the Si(111) surface in H_2-based chemical vapor ambient as well as its atomic structure after contamination-free transfer to ultrahigh vacuum (UHV). Applying complementary UHV-based techniques, we derive a complete picture of the atomic surface structure and its chemical composition. X-ray photoelectron spectroscopy measurements after high-temperature annealing confirm a Si surface free of any traces of oxygen or other impurities. The annealing in H_2 ambient leads to a monohydride surface termination, as verified by Fourier-transform infrared spectroscopy. Scanning tunneling microscopy confirms a well ordered, atomically smooth surface, which is (1 × 1) reconstructed, in agreement with low energy electron diffraction patterns. Atomic force microscopy reveals a significant influence of homoepitaxy and wet-chemical pretreatment on the surface morphology. Our findings show that wet-chemical pretreatment followed by high-temperature annealing leads to contamination-free, atomically flat Si(111) surfaces, which are ideally suited for subsequent III-V heteroepitaxy.

Precision electron-gamma spectroscopic studies in 111Cd

International Nuclear Information System (INIS)

Sai Vignesh, T.; Chhetri, Premaditya; Vijay Sai, K.; Gowrishankar, R.; Venkataramaniah, K.; Deepa, S.; Rao, Dwarakarani; Kailas, S.

2011-01-01

The energy levels of 111 Cd has formerly been considered in terms of the states available to the 63rd neutron which is in the 3s 1/2 sub-shell. Kisslinger and Sorensen have used the pairing plus-quadrupole model to predict the energy levels. In the Coulomb excitation experiment only five levels have been excited. The decay of 111 Ag has been investigated only by few workers, Burmistov and Didorenko, Shevlev et al and Goswamy et al. The previous data on level energies, gamma energies and intensities differ considerably even for intense gamma transitions. There has been no detailed study of the internal conversion spectrum. There have been no multipolarity assignments for some of the transitions. An extensive experimental investigation of the gamma and conversion electron spectra has been undertaken to provide precision spectroscopic information on the low lying levels of 111 Cd from the beta decay of 111 Ag

Ag/SiO2 surface-enhanced Raman scattering substrate for plasticizer detection

Science.gov (United States)

Wu, Ming-Chung; Lin, Ming-Pin; Lin, Ting-Han; Su, Wei-Fang

2018-04-01

In this study, we demonstrated a simple method of fabricating a high-performance surface-enhanced Raman scattering (SERS) substrate. Monodispersive SiO2 colloidal spheres were self-assembled on a silicon wafer, and then a silver layer was coated on it to obtain a Ag/SiO2 SERS substrate. The Ag/SiO2 SERS substrates were used to detect three kinds of plasticizer with different concentrations, namely, including bis(2-ethylhexyl)phthalate (DEHP), benzyl butyl phthalate (BBP), and dibutyl phthalate (DBP). The enhancement of Raman scattering intensity caused by surface plasmon resonance can be observed using the Ag/SiO2 SERS substrates. The Ag/SiO2 SERS substrate with a 150-nm-thick silver layer can detect plasticizers, and it satisfies the detection limit of plasticizers at 100 ppm. The developed highly sensitive Ag/SiO2 SERS substrates show a potential for the design and fabrication of functional sensors to identify the harmful plasticizers that plastic products release in daily life.

Interfacial reaction pathways and kinetics during annealing of 111-textured Al/TiN bilayers: A synchrotron x-ray diffraction and transmission electron microscopy study

International Nuclear Information System (INIS)

Chun, J.-S.; Desjardins, P.; Lavoie, C.; Petrov, I.; Cabral, C. Jr.; Greene, J. E.

2001-01-01

Growth of TiN layers in most diffusion-barrier applications is limited to deposition temperatures T s s =450 deg. C on SiO 2 by ultrahigh vacuum reactive magnetron sputter deposition in pure N 2 . Al overlayers, 160 nm thick with inherited 111 preferred orientation, were then deposited at T s =100 deg. C without breaking vacuum. The as-deposited TiN layer is underdense due to the low deposition temperature (T s /T m ≅0.23 in which T m is the melting point) resulting in kinetically limited adatom mobilities leading to atomic shadowing which, in turn, results in a columnar microstructure with both inter- and intracolumnar voids. The Al overlayer is fully dense. Synchrotron x-ray diffraction was used to follow interfacial reaction kinetics during postdeposition annealing of the 111-textured Al/TiN bilayers as a function of time (t a =12-1200 s) and temperature (T a =440-550 deg. C). Changes in bilayer microstructure and microchemistry were investigated using transmission electron microscopy (TEM) and scanning TEM to obtain compositional maps of plan-view and cross-sectional specimens. Interfacial reaction during annealing is initiated at the Al/TiN interface. Al diffuses rapidly into TiN voids during anneals at temperatures ∼ 3 Ti at the interface. Al 3 Ti exhibits a relatively planar growth front extending toward the Al free surface. Analyses of time-dependent x-ray diffraction peak intensities during isothermal annealing as a function of temperature show that Al 3 Ti growth kinetics are, for the entire temperature range investigated, diffusion limited with an activation energy of 1.5±0.2 eV

Reaction pathways of furfural, furfuryl alcohol and 2-methylfuran on Cu(111) and NiCu bimetallic surfaces

Science.gov (United States)

Xiong, Ke; Wan, Weiming; Chen, Jingguang G.

2016-10-01

Hydrodeoxygenation (HDO) is an important reaction for converting biomass-derived furfural to value-added 2-methylfuran, which is a promising fuel additive. In this work, the HDO of furfural to produce 2-methylfuran occurred on the NiCu bimetallic surfaces prepared on either Ni(111) or Cu(111). The reaction pathways of furfural were investigated on Cu(111) and Ni/Cu(111) surfaces using density functional theory (DFT) calculations, temperature-programmed desorption (TPD) and high-resolution electron energy loss spectroscopy (HREELS) experiments. These studies provided mechanistic insights into the effects of bimetallic formation on enhancing the HDO activity. Specifically, furfural weakly adsorbed on Cu(111), while it strongly adsorbed on Ni/Cu(111) through an η2(C,O) configuration, which led to the HDO of furfural on Ni/Cu(111). The ability to dissociate H2 on Ni/Cu(111) is also an important factor for enhancing the HDO activity over Cu(111).

Anisotropic Surface State Mediated RKKY Interaction Between Adatoms on a Hexagonal Lattice

Science.gov (United States)

Einstein, Theodore; Patrone, Paul

2012-02-01

Motivated by recent numerical studies of Ag on Pt(111), we derive a far-field expression for the RKKY interaction mediated by surface states on a (111) FCC surface, considering the effect of anisotropy in the Fermi edge. The main contribution to the interaction comes from electrons whose Fermi velocity vF is parallel to the vector R connecting the interacting adatoms; we show that in general, the corresponding Fermi wave-vector kF is not parallel to R. The interaction is oscillatory; the amplitude and wavelength of oscillations have angular dependence arising from the anisotropy of the surface state band structure. The wavelength, in particular, is determined by the component of the aforementioned kF that is parallel to R. Our analysis is easily generalized to other systems. For Ag on Pt(111), our results indicate that the RKKY interaction between pairs of adatoms should be nearly isotropic and so cannot account for the anisotropy found in the studies motivating our work.

Analysis of the Si(111) surface prepared in chemical vapor ambient for subsequent III-V heteroepitaxy

Energy Technology Data Exchange (ETDEWEB)

Zhao, W.; Steidl, M.; Paszuk, A. [Technische Universität Ilmenau, Institut für Physik, 98693 Ilmenau (Germany); Brückner, S. [Technische Universität Ilmenau, Institut für Physik, 98693 Ilmenau (Germany); Helmholtz-Zentrum Berlin, Institut für Solare Brennstoffe, 14109 Berlin (Germany); Dobrich, A. [Technische Universität Ilmenau, Institut für Physik, 98693 Ilmenau (Germany); Supplie, O. [Technische Universität Ilmenau, Institut für Physik, 98693 Ilmenau (Germany); Helmholtz-Zentrum Berlin, Institut für Solare Brennstoffe, 14109 Berlin (Germany); Kleinschmidt, P. [Technische Universität Ilmenau, Institut für Physik, 98693 Ilmenau (Germany); Hannappel, T., E-mail: thomas.hannappel@tu-ilmenau.de [Technische Universität Ilmenau, Institut für Physik, 98693 Ilmenau (Germany); Helmholtz-Zentrum Berlin, Institut für Solare Brennstoffe, 14109 Berlin (Germany)

2017-01-15

Highlights: • We investigate the Si(111) surface prepared in CVD ambient at 1000 °C in 950 mbar H{sub 2}. • UHV-based XPS, LEED, STM and FTIR as well as ambient AFM are applied. • After processing the Si(111) surface is free of contamination and atomically flat. • The surface exhibits a (1 × 1) reconstruction and monohydride termination. • Wet-chemical pretreatment and homoepitaxy are required for a regular step structure. - Abstract: For well-defined heteroepitaxial growth of III-V epilayers on Si(111) substrates the atomic structure of the silicon surface is an essential element. Here, we study the preparation of the Si(111) surface in H{sub 2}-based chemical vapor ambient as well as its atomic structure after contamination-free transfer to ultrahigh vacuum (UHV). Applying complementary UHV-based techniques, we derive a complete picture of the atomic surface structure and its chemical composition. X-ray photoelectron spectroscopy measurements after high-temperature annealing confirm a Si surface free of any traces of oxygen or other impurities. The annealing in H{sub 2} ambient leads to a monohydride surface termination, as verified by Fourier-transform infrared spectroscopy. Scanning tunneling microscopy confirms a well ordered, atomically smooth surface, which is (1 × 1) reconstructed, in agreement with low energy electron diffraction patterns. Atomic force microscopy reveals a significant influence of homoepitaxy and wet-chemical pretreatment on the surface morphology. Our findings show that wet-chemical pretreatment followed by high-temperature annealing leads to contamination-free, atomically flat Si(111) surfaces, which are ideally suited for subsequent III-V heteroepitaxy.

Temperature-dependent templated growth of porphine thin films on the (111) facets of copper and silver

Energy Technology Data Exchange (ETDEWEB)

Diller, Katharina, E-mail: katharina.diller@tum.de [Physik-Department, E20, Technische Universität München, 85748 Garching (Germany); Theoretische Chemie, Technische Universität München, 85748 Garching (Germany); Klappenberger, Florian; Allegretti, Francesco; Papageorgiou, Anthoula C.; Fischer, Sybille; Duncan, David A.; Lloyd, Julian A.; Oh, Seung Cheol; Barth, Johannes V. [Physik-Department, E20, Technische Universität München, 85748 Garching (Germany); Maurer, Reinhard J.; Reuter, Karsten [Theoretische Chemie, Technische Universität München, 85748 Garching (Germany)

2014-10-14

The templated growth of the basic porphyrin unit, free-base porphine (2H-P), is characterized by means of X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine-structure (NEXAFS) spectroscopy measurements and density functional theory (DFT). The DFT simulations allow the deconvolution of the complex XPS and NEXAFS signatures into contributions originating from five inequivalent carbon atoms, which can be grouped into C–N and C–C bonded species. Polarization-dependent NEXAFS measurements reveal an intriguing organizational behavior: On both Cu(111) and Ag(111), for coverages up to one monolayer, the molecules adsorb undeformed and parallel to the respective metal surface. Upon increasing the coverage, however, the orientation of the molecules in the thin films depends on the growth conditions. Multilayers deposited at low temperatures exhibit a similar average tilting angle (30° relative to the surface plane) on both substrates. Conversely, for multilayers grown at room temperature a markedly different scenario exists. On Cu(111) the film thickness is self-limited to a coverage of approximately two layers, while on Ag(111) multilayers can be grown easily and, in contrast to the bulk 2H-P crystal, the molecules are oriented perpendicular to the surface. This difference in molecular orientation results in a modified line-shape of the C 1s XPS signatures, which depends on the incident photon energy and is explained by comparison with depth-resolved DFT calculations. Simulations of ionization energies for differently stacked molecules show no indication for a packing-induced modification of the multilayer XP spectra, thus indicating that the comparison of single molecule calculations to multilayer data is justified.

Communication: Surface-to-bulk diffusion of isolated versus interacting C atoms in Ni(111) and Cu(111) substrates: A first principle investigation

Energy Technology Data Exchange (ETDEWEB)

Harpale, Abhilash; Panesi, Marco; Chew, Huck Beng, E-mail: hbchew@illinois.edu [Department of Aerospace Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States)

2015-02-14

Using first principle calculations, we study the surface-to-bulk diffusion of C atoms in Ni(111) and Cu(111) substrates, and compare the barrier energies associated with the diffusion of an isolated C atom versus multiple interacting C atoms. We find that the preferential Ni-C bonding over C–C bonding induces a repulsive interaction between C atoms located at diagonal octahedral voids in Ni substrates. This C–C interaction accelerates C atom diffusion in Ni with a reduced barrier energy of ∼1 eV, compared to ∼1.4-1.6 eV for the diffusion of isolated C atoms. The diffusion barrier energy of isolated C atoms in Cu is lower than in Ni. However, bulk diffusion of interacting C atoms in Cu is not possible due to the preferential C–C bonding over C–Cu bonding, which results in C–C dimer pair formation near the surface. The dramatically different C–C interaction effects within the different substrates explain the contrasting growth mechanisms of graphene on Ni(111) and Cu(111) during chemical vapor deposition.

Communication: Surface-to-bulk diffusion of isolated versus interacting C atoms in Ni(111) and Cu(111) substrates: A first principle investigation.

Science.gov (United States)

Harpale, Abhilash; Panesi, Marco; Chew, Huck Beng

2015-02-14

Using first principle calculations, we study the surface-to-bulk diffusion of C atoms in Ni(111) and Cu(111) substrates, and compare the barrier energies associated with the diffusion of an isolated C atom versus multiple interacting C atoms. We find that the preferential Ni-C bonding over C-C bonding induces a repulsive interaction between C atoms located at diagonal octahedral voids in Ni substrates. This C-C interaction accelerates C atom diffusion in Ni with a reduced barrier energy of ∼1 eV, compared to ∼1.4-1.6 eV for the diffusion of isolated C atoms. The diffusion barrier energy of isolated C atoms in Cu is lower than in Ni. However, bulk diffusion of interacting C atoms in Cu is not possible due to the preferential C-C bonding over C-Cu bonding, which results in C-C dimer pair formation near the surface. The dramatically different C-C interaction effects within the different substrates explain the contrasting growth mechanisms of graphene on Ni(111) and Cu(111) during chemical vapor deposition.

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...

Breaking tolerance in hepatitis B surface antigen (HBsAg) transgenic mice by vaccination with cross-reactive, natural HBsAg variants

DEFF Research Database (Denmark)

Schirmbeck, Reinhold; Dikopoulos, Nektarios; Kwissa, Marcin

2003-01-01

Processing exogenous hepatitis B surface antigen (HBsAg) of the hepatitis B virus (HBV) generates the K(b)-binding S(208-215) epitope 1; processing endogenous HBsAg generates the K(b)-binding S(190-197) epitope 2. Cross-reactive CD8(+) T cell responses were primed to epitope 1 but not epitope 2...... HBs-tg mice showed reduced antigenemia. Hence, vaccination with natural HBsAg variants from different HBV sero/genotypes can prime cross-reactive, specific CD8(+) T cell immunity that breaks tolerance to HBsAg....

Improved adhesion of Ag NPs to the polyethylene terephthalate surface via atmospheric plasma treatment and surface functionalization

Science.gov (United States)

Shen, Tao; Liu, Yong; Zhu, Yan; Yang, De-Quan; Sacher, Edward

2017-07-01

Ag nanoparticles (NPs) have been widely applied, as important antibacterial materials, on textile and polymer surfaces. However, their adhesion to nonreactive polymer surfaces is generally too weak for many applications. Here, we propose a two-step process, atmospheric plasma treatment followed by a surface chemical modification process, which enhances their adhesion to polyethylene terephthalate (PET) surfaces. We found that, compared to either plasma treatments or surface chemical functionalizations, alone, this combination greatly enhanced their adhesion. The plasma treatment resulted in an increase of active sites (sbnd OH, sbnd CHdbnd O and COOH) at the PET surface, permitting increased bonding to 3-aminopropyltriethoxysilane (APTES), whose sbnd NH2 groups were then able to form a bonding complex with the Ag NPs.

Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni

Energy Technology Data Exchange (ETDEWEB)

López-Moreno, S., E-mail: sinlopez@uacam.mx [Centro de Investigación en Corrosión, Universidad Autónoma de Campeche, Av. Héroe de Nacozari 480, Campeche, Campeche 24029 (Mexico); Romero, A. H. [Physics Department, West Virginia University, Morgantown, West Virginia 26506-6315 (United States)

2015-04-21

Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O{sub 2} molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered.

Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni

Science.gov (United States)

López-Moreno, S.; Romero, A. H.

2015-04-01

Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O2 molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered.

Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni

International Nuclear Information System (INIS)

López-Moreno, S.; Romero, A. H.

2015-01-01

Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O 2 molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered

Analysis of hepatitis B surface antigen (HBsAg) using high-sensitivity HBsAg assays in hepatitis B virus carriers in whom HBsAg seroclearance was confirmed by conventional assays.

Science.gov (United States)

Ozeki, Itaru; Nakajima, Tomoaki; Suii, Hirokazu; Tatsumi, Ryoji; Yamaguchi, Masakatsu; Kimura, Mutsuumi; Arakawa, Tomohiro; Kuwata, Yasuaki; Ohmura, Takumi; Hige, Shuhei; Karino, Yoshiyasu; Toyota, Joji

2018-02-01

We investigated the utility of high-sensitivity hepatitis B surface antigen (HBsAg) assays compared with conventional HBsAg assays. Using serum samples from 114 hepatitis B virus (HBV) carriers in whom HBsAg seroclearance was confirmed by conventional HBsAg assays (cut-off value, 0.05 IU/mL), the amount of HBsAg was re-examined by high-sensitivity HBsAg assays (cut-off value, 0.005 IU/mL). Cases negative for HBsAg in both assays were defined as consistent cases, and cases positive for HBsAg in the high-sensitivity HBsAg assay only were defined as discrepant cases. There were 55 (48.2%) discrepant cases, and the range of HBsAg titers determined by high-sensitivity HBsAg assays was 0.005-0.056 IU/mL. Multivariate analysis showed that the presence of nucleos(t)ide analog therapy, liver cirrhosis, and negative anti-HBs contributed to the discrepancies between the two assays. Cumulative anti-HBs positivity rates among discrepant cases were 12.7%, 17.2%, 38.8%, and 43.9% at baseline, 1 year, 3 years, and 5 years, respectively, whereas the corresponding rates among consistent cases were 50.8%, 56.0%, 61.7%, and 68.0%, respectively. Hepatitis B virus DNA negativity rates were 56.4% and 81.4% at baseline, 51.3% and 83.3% at 1 year, and 36.8% and 95.7% at 3 years, among discrepant and consistent cases, respectively. Hepatitis B surface antigen reversion was observed only in discrepant cases. Re-examination by high-sensitivity HBsAg assays revealed that HBsAg was positive in approximately 50% of cases. Cumulative anti-HBs seroconversion rates and HBV-DNA seroclearance rates were lower in these cases, suggesting a population at risk for HBsAg reversion. © 2017 The Japan Society of Hepatology.

Photoelectric emission from negative-electron-affinity diamond (111) surfaces: Exciton breakup versus conduction-band emission

International Nuclear Information System (INIS)

Bandis, C.; Pate, B.B.

1995-01-01

We have recently reported that bound electron-hole pairs (Mott-Wannier excitons) are the dominant source of photoelectron emission from specially prepared [''as-polished'' C(111)-(1x1):H] negative-electron-affinity diamond surfaces for near-band-gap excitation up to 0.5 eV above threshold [C. Bandis and B. B. Pate, Phys. Rev. Lett. 74, 777 (1995)]. It was found that photoexcited excitons transport to the surface, break up, and emit their electron. In this paper, we extend the study of exciton-derived emission to include partial yield (constant final-state) analysis as well as angular distribution measurements of the photoelectric emission. In addition, we find that exciton-derived emission does not always dominate. Photoelectric emission properties of the in situ ''rehydrogenated'' (111)-(1x1):H diamond surface are characteristically different than emission observed from the as-polished (111)-(1x1):H surface. The rehydrogenated surface has additional downward band bending as compared to the as-polished surface. In confirmation of the assignment of photoelectric yield to exciton breakup emission, we find a significant enhancement of the total electron yield when the downward band bending of the hydrogenated surface is increased. The functional form of the observed total electron yield demonstrates that, in contrast to the as-polished surface, conduction-band electrons are a significant component of the observed photoelectric yield from the in situ hydrogenated (111)-(1x1):H surface. Furthermore, electron emission characteristics of the rehydrogenated surface confirms our assignment of a Fan phonon-cascade mechanism for thermalization of excitons

Pulse picker for synchrotron radiation driven by a surface acoustic wave.

Science.gov (United States)

Vadilonga, Simone; Zizak, Ivo; Roshchupkin, Dmitry; Petsiuk, Andrei; Dolbnya, Igor; Sawhney, Kawal; Erko, Alexei

2017-05-15

A functional test for a pulse picker for synchrotron radiation was performed at Diamond Light Source. The purpose of a pulse picker is to select which pulse from the synchrotron hybrid-mode bunch pattern reaches the experiment. In the present work, the Bragg reflection on a Si/B4C multilayer was modified using surface acoustic wave (SAW) trains. Diffraction on the SAW alters the direction of the x rays and it can be used to modulate the intensity of the x rays that reach the experimental chamber. Using electronic modulation of the SAW amplitude, it is possible to obtain different scattering conditions for different x-ray pulses. To isolate the single bunch, the state of the SAW must be changed in the short time gap between the pulses. To achieve the necessary time resolution, the measurements have been performed in conical diffraction geometry. The achieved time resolution was 120 ns.

Metal decomposition rates or 111In-DPTA and EDTA conjugates of monoclonal antibodies in vivo

International Nuclear Information System (INIS)

Goodwin, D.A.; McTigue, M.; Chaovapong, W.; Meares, C.F.; McCall, M.J.

1986-01-01

We have studied the metal chelate decomposition rates in vivo in both 111 In-labelled benzyl EDTA and DTPA (bicyclic anhydride) conjugates of monoclonal anti-IAsup(k) IgG2a with identical Kα = 1 x 10 11 M -1 in both Ag + ve and Ag -ve mice. Twenty μCi was given i.v. and whole body counting done immediately and daily for 10 days. Half the mice in each group received i.p. injections of 5.0 mg CaNa 2 EDTA chase (Versenate) to facilitate urinary excretion of free 111 In. 50% of control 111 In-citrate remained at nine days but only 8% with chase. No significant loss of 111 In with chase occurred with C 1 substituted EDTA conjugates. A 19% increase in excretion was demonstrated with the chase in mice give DTPA conjugates (1.9% per day). While this will not interfere with radioimmunoimaging up to 24 h after injection, waiting periods of a week or longer will produce significant background of free 111 In in the reticuloendothelial system, RES. 111 In-EDTA stability was important in accurate metabolic rate measurements of anti-IAsup(k); T1/2 = 7.0 days in Ag-ve mice, T1/2 = 9.3 days in Ag-ve mice. (author)

Effect of Ag Doping on the Electronic Structure and Optical Properties of ZnO(0001 Surface

Directory of Open Access Journals (Sweden)

Xiang Qian

2018-01-01

Full Text Available Using first-principle calculations, the geometrical structure, the electronic and optical properties of Ag-doped ZnO(0001 surface have been investigated. We found that Ag-doped ZnO(0001 surface is more easily formed on the first layer. On the other hand, the doped surface has gradually become an equipotential body, showing obvious metallic characteristics. We found that a new peak appeared in the low energy region after Ag doping, which was mainly due to the electron transition between the two orbital levels of Ag-4d and O-2p.

Multiscale modeling of interaction of alane clusters on Al(111) surfaces : a reactive force field and infrared absorbtion spectroscopy approach

NARCIS (Netherlands)

Ojwang, J.G.O.; Chaudhuri, S.; Duin, van A.C.T.; Chabal, Y.J.; Veyan, J.-F.; Santen, van R.A.; Kramer, G.J.; Goddard III, W.A.

2010-01-01

We have used reactive force field (ReaxFF) to investigate the mechanism of interaction of alanes on Al(111) surface. Our simulations show that, on the Al(111) surface, alanes oligomerize into larger alanes. In addition, from our simulations, adsorption of atomic hydrogen on Al(111) surface leads to

Preferential adsorption of gallium on GaAs(111)B surfaces during the initial growth of Au-assisted GaAs nanowires

International Nuclear Information System (INIS)

Shu Haibo; Chen Xiaoshuang; Ding Zongling; Dong Ruibin; Lu Wei

2010-01-01

The mechanism of the preferential adsorption of Ga on GaAs(111)B surfaces during the initial growth of Au-assisted GaAs nanowires is studied by using first-principles calculations within density functional theory. The calculated results show that Au preadsorption on GaAs(111)B surface significantly enhances the stability of the Ga adatom in comparison with the adsorption of Ga on clean GaAs(111)B surface. The stabilization of the Ga adatom is due to charge transfers from the Ga 4p and 4s states to the Au 6s and As 4p states. The number of Ga adatoms stabilized on GaAs(111)B surfaces depends on the size of surface Au cluster. The reason is that Au acted as an electron acceptor on GaAs(111)B surface assists the charge transfer of Ga adatoms for filling the partial unoccupied bands of GaAs(111)B surface. Our results are helpful to understand the growth of Au-assisted GaAs nanowires.

Interfacial B-site atomic configuration in polar (111) and non-polar (001) SrIrO3/SrTiO3 heterostructures

Science.gov (United States)

Anderson, T. J.; Zhou, H.; Xie, L.; Podkaminer, J. P.; Patzner, J. J.; Ryu, S.; Pan, X. Q.; Eom, C. B.

2017-09-01

The precise control of interfacial atomic arrangement in ABO3 perovskite heterostructures is paramount, particularly in cases where the subsequent electronic properties of the material exhibit geometrical preferences along polar crystallographic directions that feature inevitably complex surface reconstructions. Here, we present the B-site interfacial structure in polar (111) and non-polar (001) SrIrO3/SrTiO3 interfaces. The heterostructures were examined using scanning transmission electron microscopy and synchrotron-based coherent Bragg rod analysis. Our results reveal the preference of B-site intermixing across the (111) interface due to the polarity-compensated SrTiO3 substrate surface prior to growth. By comparison, the intermixing at the non-polar (001) interface is negligible. This finding suggests that the intermixing may be necessary to mitigate epitaxy along heavily reconstructed and non-stoichiometric (111) perovskite surfaces. Furthermore, this preferential B-site configuration could allow the geometric design of the interfacial perovskite structure and chemistry to selectively engineer the correlated electronic states of the B-site d-orbital.

Interfacial B-site atomic configuration in polar (111 and non-polar (001 SrIrO3/SrTiO3 heterostructures

Directory of Open Access Journals (Sweden)

T. J. Anderson

2017-09-01

Full Text Available The precise control of interfacial atomic arrangement in ABO3 perovskite heterostructures is paramount, particularly in cases where the subsequent electronic properties of the material exhibit geometrical preferences along polar crystallographic directions that feature inevitably complex surface reconstructions. Here, we present the B-site interfacial structure in polar (111 and non-polar (001 SrIrO3/SrTiO3 interfaces. The heterostructures were examined using scanning transmission electron microscopy and synchrotron-based coherent Bragg rod analysis. Our results reveal the preference of B-site intermixing across the (111 interface due to the polarity-compensated SrTiO3 substrate surface prior to growth. By comparison, the intermixing at the non-polar (001 interface is negligible. This finding suggests that the intermixing may be necessary to mitigate epitaxy along heavily reconstructed and non-stoichiometric (111 perovskite surfaces. Furthermore, this preferential B-site configuration could allow the geometric design of the interfacial perovskite structure and chemistry to selectively engineer the correlated electronic states of the B-site d-orbital.

Negligible substrate clamping effect on piezoelectric response in (111)-epitaxial tetragonal Pb(Zr, Ti)O3 films

International Nuclear Information System (INIS)

Yamada, Tomoaki; Yasumoto, Jun; Ito, Daisuke; Yoshino, Masahito; Nagasaki, Takanori; Sakata, Osami; Imai, Yasuhiko; Kiguchi, Takanori; Shiraishi, Takahisa; Shimizu, Takao; Funakubo, Hiroshi

2015-01-01

The converse piezoelectric responses of (111)- and (001)-epitaxial tetragonal Pb(Zr 0.35 Ti 0.65 )O 3 [PZT] films were compared to investigate the orientation dependence of the substrate clamping effect. Synchrotron X-ray diffraction (XRD) and piezoelectric force microscopy revealed that the as-grown (111)-PZT film has a polydomain structure with normal twin boundaries that are changed by the poling process to inclined boundaries, as predicted by Romanov et al. [Phys. Status Solidi A 172, 225 (1999)]. Time-resolved synchrotron XRD under bias voltage showed the negligible impact of substrate clamping on the piezoelectric response in the (111)-PZT film, unlike the case for (001)-PZT film. The origin of the negligible clamping effect in the (111)-PZT film is discussed from the viewpoint of the elastic properties and the compensation of lattice distortion between neighboring domains

Deposition and surface treatment of Ag-embedded indium tin oxide by plasma processing

International Nuclear Information System (INIS)

Kim, Jun Young; Kim, Jae-Kwan; Kim, Ja-Yeon; Kwon, Min-Ki; Yoon, Jae-Sik; Lee, Ji-Myon

2013-01-01

Ag-embedded indium tin oxide (ITO) films were deposited on Corning 1737 glass by radio-frequency magnetron sputtering under an Ar or Ar/O 2 mixed gas ambient with a combination of ITO and Ag targets that were sputtered alternately by switching on and off the shutter of the sputter gun. The effects of a subsequent surface treatment using H 2 and H 2 + O 2 mixed gas plasma were also examined. The specific resistance of the as-deposited Ag-embedded ITO sample was lower than that of normal ITO. The transmittance was quenched when Ag was incorporated in ITO. To enhance the specific resistance of Ag-embedded ITO, a surface treatment was conducted using H 2 or H 2 + O 2 mixed gas plasma. Although all samples showed improved specific resistance after the H 2 plasma treatment, the transmittance was quenched due to the formation of agglomerated metals on the surface. The specific resistance of the film was improved without any deterioration of the transmittance after a H 2 + O 2 mixed gas plasma treatment. - Highlights: • Ag-embedded indium tin oxide was deposited. • The contact resistivity was decreased by H 2 + O 2 plasma treatment. • The process was carried out at room temperature without thermal treatment. • The mechanism of enhancing the contact resistance was clarified

Initial Reduction of CO2 on Pd-, Ru-, and Cu-Doped CeO2(111) Surfaces: Effects of Surface Modification on Catalytic Activity and Selectivity.

Science.gov (United States)

Guo, Chen; Wei, Shuxian; Zhou, Sainan; Zhang, Tian; Wang, Zhaojie; Ng, Siu-Pang; Lu, Xiaoqing; Wu, Chi-Man Lawrence; Guo, Wenyue

2017-08-09

Surface modification by metal doping is an effective treatment technique for improving surface properties for CO 2 reduction. Herein, the effects of doped Pd, Ru, and Cu on the adsorption, activation, and reduction selectivity of CO 2 on CeO 2 (111) were investigated by periodic density functional theory. The doped metals distorted the configuration of a perfect CeO 2 (111) by weakening the adjacent Ce-O bond strength, and Pd doping was beneficial for generating a highly active O vacancy. The analyses of adsorption energy, charge density difference, and density of states confirmed that the doped metals were conducive for enhancing CO 2 adsorption, especially for Cu/CeO 2 (111). The initial reductive dissociation CO 2 → CO* + O* on metal-doped CeO 2 (111) followed the sequence of Cu- > perfect > Pd- > Ru-doped CeO 2 (111); the reductive hydrogenation CO 2 + H → COOH* followed the sequence of Cu- > perfect > Ru- > Pd-doped CeO 2 (111), in which the most competitive route on Cu/CeO 2 (111) was exothermic by 0.52 eV with an energy barrier of 0.16 eV; the reductive hydrogenation CO 2 + H → HCOO* followed the sequence of Ru- > perfect > Pd-doped CeO 2 (111). Energy barrier decomposition analyses were performed to identify the governing factors of bond activation and scission along the initial CO 2 reduction routes. Results of this study provided deep insights into the effect of surface modification on the initial reduction mechanisms of CO 2 on metal-doped CeO 2 (111) surfaces.

Interaction between impurities in Ag dilute alloys

International Nuclear Information System (INIS)

Krolas, K.; Wodniecka, B.; Wodniecki, P.; Uniwersytet Jagiellonski, Krakow

1977-01-01

Time dependent perturbed angular correlation measurements of gamma radiation in 111 Cd after 111 In decay were performed in AgPd and AgPt alloys. The concentration of Pd or Pt atoms being the nearest neighbours to the probe atoms is much higher than that one deduced from random impurity distribution. This effect results from the attractive interaction between the In probe atoms and Pt or Pd impurity atoms in silver host lattice. The binding energy of InPd and InPt complexes was measured as 135 +- 9 meV and 171 +- 9 meV, respectively. (author)

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.

Plasmon-Enhanced Photoluminescence of an Amorphous Silicon Quantum Dot Light-Emitting Device by Localized Surface Plasmon Polaritons in Ag/SiOx:a-Si QDs/Ag Sandwich Nanostructures

Directory of Open Access Journals (Sweden)

Tsung-Han Tsai

2015-01-01

Full Text Available We investigated experimentally the plasmon-enhanced photoluminescence of the amorphous silicon quantum dots (a-Si QDs light-emitting devices (LEDs with the Ag/SiOx:a-Si QDs/Ag sandwich nanostructures, through the coupling between the a-Si QDs and localized surface plasmons polaritons (LSPPs mode, by tuning a one-dimensional (1D Ag grating on the top. The coupling of surface plasmons at the top and bottom Ag/SiOx:a-Si QDs interfaces resulted in the localized surface plasmon polaritons (LSPPs confined underneath the Ag lines, which exhibit the Fabry-Pérot resonance. From the Raman spectrum, it proves the existence of a-Si QDs embedded in Si-rich SiOx film (SiOx:a-Si QDs at a low annealing temperature (300°C to prevent the possible diffusion of Ag atoms from Ag film. The photoluminescence (PL spectra of a-Si QDs can be precisely tuned by a 1D Ag grating with different pitches and Ag line widths were investigated. An optimized Ag grating structure, with 500 nm pitch and 125 nm Ag line width, was found to achieve up to 4.8-fold PL enhancement at 526 nm and 2.46-fold PL integrated intensity compared to the a-Si QDs LEDs without Ag grating structure, due to the strong a-Si QDs-LSPPs coupling.

Characterization of isolated Ag cations in homoionic Ag-Y zeolites: A combined anomalous XRPD and EXAFS study

International Nuclear Information System (INIS)

Lamberti, C.; Prestipino, C.; Bordiga, S.; Fitch, A.N.; Marra, G.L.

2003-01-01

In this contribution we report a structural characterization of a homoionic Ag-Y zeolite (Si/Al=2.63) on both short (EXAFS) and long range (XRD) scales. Our study shows that the zeolite is a near-100% exchanged silver faujasite, showing almost isolated Ag + counterions (EXAFS estimates that clustered species represent less than 2% of the whole silver). Synchrotron radiation XRPD measurements (ESRF, BM16), performed at the Ag-K edge (λ=0.486103(2) A), just before (λ=0.486093(2) A) and far away (λ=0.491153(2) A), allowed us to locate the near totality of the expected Ag + counterions: 51.9(4) out of 52.9 per unit cell, located in five different sites. The output of the Rietveld refinement has been used successfully to simulate the Ag-K edge EXAFS spectra (ESRF, BM29)

Synchrotron radiation photoemission spectrum study on K3C60 film

Institute of Scientific and Technical Information of China (English)

李宏年; 徐亚伯; 鲍世宁; 李海洋; 何丕模; 钱海杰; 刘风琴; 奎热西·易卜拉欣

2000-01-01

K3C60 single crystal film was prepared on the cleaved (111) surface of C60 single crystal. Synchrotron radiation angle-resolved photoemission spectra were measured at normal emission with sample temperature at - 150K. Up to four subpeaks of LUMO-derived band were observed. These sub-peaks exhibit distinct energy dispersions which resemble in general the theoretical ones calculated for K3C60 at low temperature with the so-called one-dimensional disordered structure. But there is large deviation of experimental sub-band intervals from the theoretical values. This result is meaningful for the studies of the physical properties of alkali-doped C60 solids, e.g. the mechanism for superconductivity.

Adsorption/desorption kinetics of Na atoms on reconstructed Si (111)-7 x 7 surface

International Nuclear Information System (INIS)

Chauhan, Amit Kumar Singh; Govind; Shivaprasad, S.M.

2010-01-01

Self-assembled nanostructures on a periodic template are fundamentally and technologically important as they put forward the possibility to fabricate and pattern micro/nano-electronics for sensors, ultra high-density memories and nanocatalysts. Alkali-metal (AM) nanostructure grown on a semiconductor surface has received considerable attention because of their simple hydrogen like electronic structure. However, little efforts have been made to understand the fundamental aspects of the growth mechanism of self-assembled nanostructures of AM on semiconductor surfaces. In this paper, we report organized investigation of kinetically controlled room-temperature (RT) adsorption/desorption of sodium (Na) metal atoms on clean reconstructed Si (111)-7 x 7 surface, by X-ray photoelectron spectroscopy (XPS). The RT uptake curve shows a layer-by-layer growth (Frank-vander Merve growth) mode of Na on Si (111)-7 x 7 surfaces and a shift is observed in the binding energy position of Na (1s) spectra. The thermal stability of the Na/Si (111) system was inspected by annealing the system to higher substrate temperatures. Within a temperature range from RT to 350 o C, the temperature induced mobility to the excess Na atoms sitting on top of the bilayer, allowing to arrange themselves. Na atoms desorbed over a wide temperature range of 370 o C, before depleting the Si (111) surface at temperature 720 o C. The acquired valence-band (VB) spectra during Na growth revealed the development of new electronic-states near the Fermi level and desorption leads the termination of these. For Na adsorption up to 2 monolayers, decrease in work function (-1.35 eV) was observed, whereas work function of the system monotonically increases with Na desorption from the Si surface as observed by other studies also. This kinetic and thermodynamic study of Na adsorbed Si (111)-7 x 7 system can be utilized in fabrication of sensors used in night vision devices.

Surface structural determination of UO2(111) using MeV ions

International Nuclear Information System (INIS)

Thompson, K.A.; Ellis, W.P.; Taylor, T.N.; Valone, S.M.; Maggiore, C.J.

1983-01-01

The UO 2 (111) surface was studied using MeV ions incident along the and directions. In addition, this surface was well characterized by LEED and Auger analysis. A resonance at 3.05 MeV for 4 He elastic scattering from 16 O made it possible to study the surface peaks for uranium and oxygen simultaneously. By combining previous surface studies with detailed analysis of the surface peaks and rocking curves for this compound material, an outward relaxation of 0.19 A +- 0.01 A was determined for uranium

Mapping the Diffusion Potential of a Reconstructed Au(111) Surface at Nanometer Scale with 2D Molecular Gas

International Nuclear Information System (INIS)

Yan Shi-Chao; Xie Nan; Gong Hui-Qi; Guo Yang; Shan Xin-Yan; Lu Xing-Hua; Sun Qian

2012-01-01

The adsorption and diffusion behaviors of benzene molecules on an Au(111) surface are investigated by low-temperature scanning tunneling microscopy. A herringbone surface reconstruction of the Au(111) surface is imaged with atomic resolution, and significantly different behaviors are observed for benzene molecules adsorbed on step edges and terraces. The electric field induced modification in the molecular diffusion potential is revealed with a 2D molecular gas model, and a new method is developed to map the diffusion potential over the reconstructed Au(111) surface at the nanometer scale. (condensed matter: structure, mechanical and thermal properties)

Reproducible and recyclable SERS substrates: Flower-like Ag structures with concave surfaces formed by electrodeposition

Science.gov (United States)

Bian, Juncao; Shu, Shiwei; Li, Jianfu; Huang, Chao; Li, Yang Yang; Zhang, Rui-Qin

2015-04-01

Direct synthesis of three-dimensional Ag structures on solid substrates for the purposes of producing reproducible and recyclable surface-enhanced Raman scattering (SERS) applications remains challenging. In this work, flower-like Ag structures with concave surfaces (FACS) were successfully electrodeposited onto ITO glass using the double-potentiostatic method. The FACS, with an enhancement factor of the order of 108, exhibited a SERS signal intensity 3.3 times stronger than that measured from Ag nanostructures without concave surfaces. A cleaning procedure involving lengthy immersion of the sample in ethanol and KNO3 was proposed to recycle the substrate and confirmed by using rhodamine 6G, adenine, and 4-aminothiophenol as target molecules. The findings can help to advance the practical applications of Ag nanostructure-based SERS substrates.

High pressure and high temperature EXAFS and diffraction study of AgI

International Nuclear Information System (INIS)

Yoshiasa, Akira; Arima, Hiroshi; Fukui, Hiroshi; Okube, Maki; Katayama, Yoshinori; Ohtaka, Osamu

2009-01-01

We have determined the precise P-T phase diagram of AgI by in-situ high-pressure high-temperature synchrotron experiments. X-ray diffraction and XAFS measurements were performed up to 6.0 GPa and 1100 K using a multi-anvil high-pressure device and synchrotron radiation from SPring-8. In the disordered rock-salt phase, Ag ions occupy both octahedral and tetrahedral sites and twenty percent of Ag ions occupy the tetrahedral site as a maximum value at 2 GPa. From the viewpoint of the local structure analyses, some sudden changes are recognized near broad phase transition point. Analysis of EXAFS Debye-Waller factor is useful because the force constant can be decided directly even at high pressure and high temperature. Pressure influences greatly the effective potential and anharmonicity decreases with increasing pressure. (author)

Chemisorption on the (111) and (100) faces of platinum-tin bimetallic surfaces

Science.gov (United States)

Panja, Chameli

2000-10-01

Chemisorption and reaction of CH3OH (methanol), C2H 5OH (ethanol), and H2O (water) on Pt(111) and Sn/Pt(111) alloys, and CO (carbon monoxide), NO (nitric oxide), and C2D 2 (acetylene) on Pt(100) and Sn/Pt(100) have been studied under ultrahigh vacuum conditions using temperature programmed desorption (TPD), Auger electron spectroscopy (AES), low energy electron diffraction (LEED), X-ray photoelectron spectroscopy (XPS) and high resolution electron energy loss spectroscopy (HREELS). Small organic molecules like CH3OH and C2H5OH are potential fuels for low-temperature hydrocarbon fuel cells and it is important to understand the role of tin as a promoter in electrooxidation of these molecules. Also, the catalytic reactions of CO, NO and C2H2 are of considerable interest for improving of automotive exhaust-gas catalytic converters and other heterogeneous catalysts. Ordered Pt-Sn alloys can be prepared by vapor deposition of Sn on Pt surfaces. A (2 x 2) structure (theta Sn = 0.25) and a (√3x√/3)R30° structure are formed on Pt(111), and a c(2 x 2) and (3√2x√2)R45° structures with theta Sn = 0.5 and 0.67, respectively, are formed on Pt(100). CH3OH, C2H5OH and H2O are all weakly bound and reversibly adsorbed on Pt(111) and both of the Sn/Pt(111) alloys under UHV conditions. Alloying Sn into the Pt(111) surface weakens the adsorption of these molecules from that on Pt(111) and leads to a lower reactivity as the surface concentration of Sn increases. TPD measurements reveal a reduction in the saturation coverage and chemisorption bond energy for CO, NO and C2HL chemisorption, on the two Sn/Pt(100)alloys compared to that on Pt(100). CO chemisorption is completely reversible on these two Sn/Pt(100) alloys. However, NO is partially reduced to form N2O on these alloys, so that N2O along with NO and O2 desorption was observed. We propose that dinitrosyl species, i.e., two NO molecules bound to one Pt atom, are intermediates in N2O formation from adsorbed NO on these Sn

Hut clusters on Ge(001) surfaces studied by STM and synchrotron X-ray diffraction

DEFF Research Database (Denmark)

Nielsen, M.; Smilgies, D.-M.; Feidenhans'l, R.

1996-01-01

Nanoscale hut clusters formed on Ge(001) surfaces by depositing one monolayer of indium and annealing at temperatures between 350 and 500 degrees C were studied by scanning tunnelling microscopy and synchrotron X-ray diffraction. It was found that the hut clusters form regular arrays over...

Surface treatment effect on Si (111) substrate for carbon deposition using DC unbalanced magnetron sputtering

Energy Technology Data Exchange (ETDEWEB)

Aji, A. S., E-mail: aji.ravazes70@gmail.com; Sahdan, M. F.; Hendra, I. B.; Dinari, P.; Darma, Y. [Quantum Semiconductor and Devices Lab., Physics of Material Electronics Research Division, Department of Physics, Institut Teknologi Bandung (Indonesia)

2015-04-16

In this work, we studied the effect of HF treatment in silicon (111) substrate surface for depositing thin layer carbon. We performed the deposition of carbon by using DC Unbalanced Magnetron Sputtering with carbon pallet (5% Fe) as target. From SEM characterization results it can be concluded that the carbon layer on HF treated substrate is more uniform than on substrate without treated. Carbon deposition rate is higher as confirmed by AFM results if the silicon substrate is treated by HF solution. EDAX characterization results tell that silicon (111) substrate with HF treatment have more carbon fraction than substrate without treatment. These results confirmed that HF treatment on silicon Si (111) substrates could enhance the carbon deposition by using DC sputtering. Afterward, the carbon atomic arrangement on silicon (111) surface is studied by performing thermal annealing process to 900 °C. From Raman spectroscopy results, thin film carbon is not changing until 600 °C thermal budged. But, when temperature increase to 900 °C, thin film carbon is starting to diffuse to silicon (111) substrates.

One-pot synthesis of Ag-SiO2-Ag sandwich nanostructures

International Nuclear Information System (INIS)

Li Chaorong; Mei Jie; Li Shuwen; Lu Nianpeng; Wang Lina; Chen Benyong; Dong Wenjun

2010-01-01

Ag-SiO 2 -Ag sandwich nanostructures were prepared by a facile one-pot synthesis method. The Ag core, SiO 2 shell and Ag nanoparticle shell were all synthesized with polyvinylpyrrolidone, catalysed by ammonia, in the one-pot reaction. The polyvinylpyrrolidone, acting as a smart reducing agent, reduced the Ag + to Ag cores and Ag shells separately. Furthermore, the polyvinylpyrrolidone served as a protective agent to prevent the silver cores from aggregating. The SiO 2 shell and outer layer Ag nanoparticles were obtained when tetraethyl orthosilicate and ammonia were added to the silver core solution. Ammonia, acting as the catalyst, accelerated the hydrolysis of the tetraethyl orthosilicate to SiO 2 , which coated the silver cores. Furthermore, Ag(NH 3 ) 2 + ions were formed when aqueous ammonia was added to the solution, which increased the reduction capability. Then the polyvinylpyrrolidone reduced the Ag(NH 3 ) 2 + ions to small Ag nanoparticles on the surface of the Ag-SiO 2 and formed Ag-SiO 2 -Ag sandwich structures with a standard deviation of less than 4%. This structure effectively prevented the Ag nanoparticles on the silica surface from aggregating. Furthermore, the Ag-SiO 2 -Ag sandwich structures showed good catalysis properties due to the large surface area/volume value and activity of surface atoms of Ag particles.

Polarization preservation in the AGS

International Nuclear Information System (INIS)

Ratner, L.G.

1983-01-01

The successful operation of a high energy polarized beam at the Argonne Zero Gradient Synchrotron (ZGS) with the concommitant development of depolarizing resonance correction techniques has led to the present project of commissioning such a beam at the Brookhaven Alternating Gradient Synchrotron (AGS). A description of the project was presented at the 1981 National Accelerator Conference. I would like to now present a more detailed description of how we plan to preserve the polarization during acceleration, and to present our game plan for tuning through some 50 resonances and reaching our goal of a 26 GeV polarized proton beam with greater than 60% polarization

Driving forces for texture transformation in thin Ag films

International Nuclear Information System (INIS)

Ellis, Elizabeth A.; Chmielus, Markus; Lin, Ming-Tzer; Joress, Howie; Visser, Kyle; Woll, Arthur; Vinci, Richard P.; Brown, Walter L.; Baker, Shefford P.

2016-01-01

The well-known thickness-dependent (111)-to-(100) texture transformation in thin FCC films is usually attributed to a competition between interface and strain energies. In this model, thin films retain their (111) texture due to the lower energy of the (111) interface, while thick films transform to (100) due to the lower stiffness and thus strain energy of a (100) film. However, recent work has called this model into question, suggesting that neither the stress nor the interface energy play a dominant role in texture transformation. We investigated the driving forces involved in this transformation by using a bulge test apparatus to induce different stresses in thin Ag films under identical annealing conditions. In situ synchrotron XRD measurements show the change in texture during annealing, and reveal that applied stresses have no effect on the transformation. Stress analysis shows that differences in driving forces for texture transformation due to applied bulge pressure were significant (≈200 kJ/m 3 ), suggesting that a different, much larger driving force must be responsible. Reduction in defect energy has been proposed as an alternative. However, vacancy and dislocation densities must be exceptionally high to significantly exceed the strain energy and do not provide obvious orientation selection mechanisms. Nanotwins in reported densities are shown to provide greater driving force (≈1000 kJ/m 3 ) and may account for orientation selection. The large difference between the calculated strain and defect energies and the driving force for grain growth (21,100 kJ/m 3 ) casts doubt on the applicability of a simple thermodynamic model of texture transformation.

The synchrotron option for a multi-megawatt proton driver

CERN Document Server

Prior, C R

2006-01-01

Of the three main options for a proton driver for a neutrino facility, synchrotron-based designs feature in proposals from J-PARC, Brookhaven and the Rutherford Appleton Laboratory. There are also synchrotron and linac options being considered in parallel at Fermilab. The Japanese machine has been developed from initial plans for a 3 GeV neutron source into a multi-purpose facility, with the addition of a 50 GeV proton synchrotron in a phased programme of construction. Brookhaven's ideas are based on upgrading the AGS, first to 1 MW and then to 4 MW. Fermilab is looking for a design to bypass the bottleneck that is the existing booster. At RAL, several designs have emerged, including one specifically based on upgrading the ISIS spallation neutron source into a possible dual neutron- neutrino facility.

Structural and optical properties of Ag-doped copper oxide thin films on polyethylene napthalate substrate prepared by low temperature microwave annealing

Energy Technology Data Exchange (ETDEWEB)

Das, Sayantan; Alford, T. L. [Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287, USA and School for Engineering of Matter, Transport and Energy, Arizona State University, Tempe, Arizona 85287 (United States)

2013-06-28

Silver doped cupric oxide thin films are prepared on polyethylene naphthalate (flexible polymer) substrates. Thin films Ag-doped CuO are deposited on the substrate by co-sputtering followed by microwave assisted oxidation of the metal films. The low temperature tolerance of the polymer substrates led to the search for innovative low temperature processing techniques. Cupric oxide is a p-type semiconductor with an indirect band gap and is used as selective absorption layer solar cells. X-ray diffraction identifies the CuO phases. Rutherford backscattering spectrometry measurements confirm the stoichiometry of each copper oxide formed. The surface morphology is determined by atomic force microscopy. The microstructural properties such as crystallite size and the microstrain for (-111) and (111) planes are calculated and discussed. Incorporation of Ag led to the lowering of band gap in CuO. Consequently, it is determined that Ag addition has a strong effect on the structural, morphological, surface, and optical properties of CuO grown on flexible substrates by microwave annealing. Tauc's plot is used to determine the optical band gap of CuO and Ag doped CuO films. The values of the indirect and direct band gap for CuO are found to be 2.02 eV and 3.19 eV, respectively.

Self-Assembled Si(111) Surface States: 2D Dirac Material for THz Plasmonics

Science.gov (United States)

Wang, Z. F.; Liu, Feng

2015-07-01

Graphene, the first discovered 2D Dirac material, has had a profound impact on science and technology. In the last decade, we have witnessed huge advances in graphene related fundamental and applied research. Here, based on first-principles calculations, we propose a new 2D Dirac band on the Si(111) surface with 1 /3 monolayer halogen coverage. The s p3 dangling bonds form a honeycomb superstructure on the Si(111) surface that results in an anisotropic Dirac band with a group velocity (˜106 m /s ) comparable to that in graphene. Most remarkably, the Si-based surface Dirac band can be used to excite a tunable THz plasmon through electron-hole doping. Our results demonstrate a new way to design Dirac states on a traditional semiconductor surface, so as to make them directly compatible with Si technology. We envision this new type of Dirac material to be generalized to other semiconductor surfaces with broad applications.

Self-Assembled Si(111) Surface States: 2D Dirac Material for THz Plasmonics.

Science.gov (United States)

Wang, Z F; Liu, Feng

2015-07-10

Graphene, the first discovered 2D Dirac material, has had a profound impact on science and technology. In the last decade, we have witnessed huge advances in graphene related fundamental and applied research. Here, based on first-principles calculations, we propose a new 2D Dirac band on the Si(111) surface with 1/3 monolayer halogen coverage. The sp(3) dangling bonds form a honeycomb superstructure on the Si(111) surface that results in an anisotropic Dirac band with a group velocity (∼10(6)  m/s) comparable to that in graphene. Most remarkably, the Si-based surface Dirac band can be used to excite a tunable THz plasmon through electron-hole doping. Our results demonstrate a new way to design Dirac states on a traditional semiconductor surface, so as to make them directly compatible with Si technology. We envision this new type of Dirac material to be generalized to other semiconductor surfaces with broad applications.

Communication: Methane dissociation on Ni(111) surface: Importance of azimuth and surface impact site

International Nuclear Information System (INIS)

Shen, Xiangjian; Zhang, Zhaojun; Zhang, Dong H.

2016-01-01

Understanding the role of reactant ro-vibrational degrees of freedom (DOFs) in reaction dynamics of polyatomic molecular dissociation on metal surfaces is of great importance to explore the complex chemical reaction mechanism. Here, we present an expensive quantum dynamics study of the dissociative chemisorption of CH 4 on a rigid Ni(111) surface by developing an accurate nine-dimensional quantum dynamical model including the DOF of azimuth. Based on a highly accurate fifteen-dimensional potential energy surface built from first principles, our simulations elucidate that the dissociation probability of CH 4 has the strong dependence on azimuth and surface impact site. Some improvements are suggested to obtain the accurate dissociation probability from quantum dynamics simulations.

Fabrication of Ag/ZnO heterostructure and the role of surface coverage of ZnO microrods by Ag nanoparticles on the photophysical and photocatalytic properties of the metal-semiconductor system

Energy Technology Data Exchange (ETDEWEB)

Sarma, Bikash; Sarma, Bimal K., E-mail: sarmabimal@gmail.com

2017-07-15

Highlights: • Fabrication of Ag/ZnO heterostructure by facile chemical processes. • Decoration of plasmonic Ag nanoparticles on ZnO microrods through direct attachment. • Quenching of photoluminescence is observed in Ag/ZnO heterostructure. • Extent of surface coverage governs photophysical and photochemical properties. - Abstract: This report presents findings on microstructural, photophysical, and photocatalytic properties of Ag/ZnO heterostructure grown on flexible and silicon substrates. ZnO microrods are prepared by thermal decomposition method for different solute concentrations and Ag/ZnO heterostructure are fabricated by photo-deposition of Ag nanoparticles on ZnO microrods. X-ray diffraction and electron microscopy studies confirm that ZnO microrods belong to the hexagonal wurtzite structure and grown along [001] direction with random alignment showing that majority microrods are aligned with (100) face parallel to the sample surface. Plasmonic Ag nanoparticles are attached to different faces of ZnO. In the optical reflection spectra of Ag/ZnO heterostructure, the surface plasmon resonance peak due to Ag nanoparticles appears at 445 nm. Due to the oxygen vacancies the band gaps of ZnO microrods turn out to be narrower compared to that of bulk ZnO. The presence of Ag nanoparticles decreases the photoluminescence intensity which might be attributed to the non-radiative energy and direct electron transfer in the plasmon–exciton system. The quenching of photoluminescence in Ag/ZnO heterostructure at different growth conditions depend on the extent of surface coverage of ZnO by plasmonic Ag nanoparticles. Photocatalytic degradation efficiency of Ag/ZnO heterostructure is higher than that of ZnO microrods. The extent of surface coverage of ZnO microrods by Ag nanoparticles is crucial for the observed changes in photophysical and photochemical properties.

Selective hydrodechlorination of 1,2-dichloroethane to ethylene over Pd-Ag/Al_2O_3 catalysts prepared by surface reduction

International Nuclear Information System (INIS)

Han, Yuxiang; Gu, Guangfeng; Sun, Jingya; Wang, Wenjuan; Wan, Haiqin; Xu, Zhaoyi; Zheng, Shourong

2015-01-01

Graphical abstract: - Highlights: • Surface reduction method was used for preparation of Pd-Ag(Cu) bimetallic catalysts. • Hydrodechlorination of 1,2-dichloroethane was investigated for production of ethylene. • Ag(Cu) selectively deposited on Pd surface during surface reduction process. • Ethylene selectivity was enhanced over Pd-Ag(Cu)/Al_2O_3 catalyst prepared by surface reduction. • Isolated Pd site is the key species for ethylene selectivity. - Abstract: Alumina supported Pd-Ag and (Cu) bimetallic catalysts (denoted as sr-Pd-Ag/Al_2O_3 or sr-Pd-Cu/Al_2O_3) with varied Pd/Ag (or Cu) ratios were prepared using the surface reduction method, and the gas-phase catalytic hydrodechlorination of 1,2-dichloroethane over the catalysts were investigated. For comparison, Pd-Ag bimetallic catalysts were prepared by the conventional co-impregnation method (denoted as im-Pd-Ag/Al_2O_3). The catalysts were characterized by N_2 adsorption, X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, and CO chemisorption. Characterization results indicated that surface reduction led to selective deposition of metallic Ag on the surface of Pd particles, while Pd and Ag just disorderly mixed in the catalyst prepared by impregnation method. Therefore, sr-Pd-Ag/Al_2O_3 exhibited a higher ethylene selectivity than im-Pd-Ag/Al_2O_3 for hydrodechlorination of 1,2-dichloroethane at a similar Ag loading amount. Moreover, among sr-Pd-Ag/Al_2O_3, sr-Pd-Cu/Al_2O_3 and im-Pd-Ag/Al_2O_3 catalysts, the ethylene selectivity decreased over these catalysts following the order: sr-Pd-Ag/Al_2O_3 > sr-Pd-Cu/Al_2O_3 > im-Pd-Ag/Al_2O_3. The present results indicate that surface reduction can be used as a potential method to synthesize catalyst with enhanced ethylene selectivity in hydrodechlorination of 1,2-dichloroethane.

Cluster-surface collisions: Characteristics of Xe55- and C20 - Si[111] surface bombardment

International Nuclear Information System (INIS)

Cheng, H.

1999-01-01

Molecular dynamics (MD) simulations are performed to study the cluster-surface collision processes. Two types of clusters, Xe 55 and C 20 are used as case studies of materials with very different properties. In studies of Xe 55 - Si[111] surface bombardment, two initial velocities, 5.0 and 10.0 km/s (normal to the surface) are chosen to investigate the dynamical consequences of the initial energy or velocity in the cluster-surface impact. A transition in the speed of kinetic energy propagation, from subsonic velocities to supersonic velocities, is observed. Energy transfer, from cluster translational motion to the substrate, occurs at an extremely fast rate that increases as the incident velocity increases. Local melting and amorphous layer formation in the surfaces are found via energetic analysis of individual silicon atoms. For C 20 , the initial velocity ranges from 10 to 100 km/s. The clusters are damaged immediately upon impact. Similar to Xe 55 , increase in the potential energy is larger than the increase in internal kinetic energy. However, the patterns of energy distribution are different for the two types of clusters. The energy transfer from the carbon clusters to Si(111) surface is found to be slower than that found in the Xe clusters. Fragmentation of the carbon cluster occurs when the initial velocity is greater than 30 km/s. At 10 km/s, the clusters show recrystallization at later times. The average penetration depth displays a nonlinear dependence on the initial velocity. Disturbance in the surface caused by C 20 is discussed and compared to the damage caused by Xe 55 . Energetics, structures, and dynamics of these systems are fully analyzed and characterized. copyright 1999 American Institute of Physics

Australian synchrotron radiation science

International Nuclear Information System (INIS)

White, J.W.

1996-01-01

Full text: The Australian Synchrotron Radiation Program, ASRP, has been set up as a major national research facility to provide facilities for scientists and technologists in physics, chemistry, biology and materials science who need access to synchrotron radiation. Australia has a strong tradition in crystallography and structure determination covering small molecule crystallography, biological and protein crystallography, diffraction science and materials science and several strong groups are working in x-ray optics, soft x-ray and vacuum ultra-violet physics. A number of groups whose primary interest is in the structure and dynamics of surfaces, catalysts, polymer and surfactant science and colloid science are hoping to use scattering methods and, if experience in Europe, Japan and USA can be taken as a guide, many of these groups will need third generation synchrotron access. To provide for this growing community, the Australian National Beamline at the Photon Factory, Tsukuba, Japan, has been established since 1990 through a generous collaboration with Japanese colleagues, the beamline equipment being largely produced in Australia. This will be supplemented in 1997 with access to the world's most powerful synchrotron x-ray source at the Advanced Photon Source, Argonne National Laboratory, USA. Some recent experiments in surface science using neutrons as well as x-rays from the Australian National Beamline will be used to illustrate one of the challenges that synchrotron x-rays may meet

Characterization of metal additive manufacturing surfaces using synchrotron X-ray CT and micromechanical modeling

Science.gov (United States)

Kantzos, C. A.; Cunningham, R. W.; Tari, V.; Rollett, A. D.

2018-05-01

Characterizing complex surface topologies is necessary to understand stress concentrations created by rough surfaces, particularly those made via laser power-bed additive manufacturing (AM). Synchrotron-based X-ray microtomography (μ XCT) of AM surfaces was shown to provide high resolution detail of surface features and near-surface porosity. Using the CT reconstructions to instantiate a micromechanical model indicated that surface notches and near-surface porosity both act as stress concentrators, while adhered powder carried little to no load. Differences in powder size distribution had no direct effect on the relevant surface features, nor on stress concentrations. Conventional measurements of surface roughness, which are highly influenced by adhered powder, are therefore unlikely to contain the information relevant to damage accumulation and crack initiation.

Proceedings of the workshop on heavy ion physics at the Alternating Gradient Synchrotron (AGS)

International Nuclear Information System (INIS)

Hansen, O.

1990-01-01

The Workshop in Heavy Ion Physics at the Alternating Gradient Synchrotron (HIPAGS) was held at Brookhaven from March 5 to 7, 2--1/2 days. The purpose was first to demonstrate the status of the experimental program of nucleus-nucleus collisions which started in the fall of 1986 with the first 16 O beam at 14.6 GeV/c per nucleon. The second objective was to present the theoretical concepts and models being applied to interpret the data. The program also included surveys of the results from the heavy ion program at the CERN-SPS, in areas that are relevant for the AGS program and discussions of future directions. The specific perspective at Brookhaven is the availability of Au beams at 11.5 GeV/c per nucleon from 1992, to which allusions were made so many times during the workshop. These proceedings are organized in the same way as the workshop program, so the list of papers is identical to the program. The workshop was very informal and very preliminary results were shown by experimentalists and theorists alike. Therefore it is strongly advised that anybody who quotes results or ideas from these proceedings, first consult with the authors of the paper being quoted. To facilitate that process, electronic mailing addresses (BITNET) are included with the list of papers and authors

Investigation of the Si(111) surface in uhv: oxidation and the effect of surface phosphorus

International Nuclear Information System (INIS)

Tom, H.W.K.; Zhu, X.D.; Shen, Y.R.; Somorjai, G.A.

1984-06-01

We have studied the initial stages of oxidation, the segregation of phosphorus, and the effect of phosphorus on oxidation of the Si(111) 7 x 7 surface using optical second-harmonic generation. We have also observed a (√3 x √3)R30 0 LEED pattern for P on Si

Negligible substrate clamping effect on piezoelectric response in (111)-epitaxial tetragonal Pb(Zr, Ti)O{sub 3} films

Energy Technology Data Exchange (ETDEWEB)

Yamada, Tomoaki, E-mail: t-yamada@nucl.nagoya-u.ac.jp [Department of Materials, Physics and Energy Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); PRESTO, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Yasumoto, Jun; Ito, Daisuke; Yoshino, Masahito; Nagasaki, Takanori [Department of Materials, Physics and Energy Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Sakata, Osami [Synchrotron X-ray Station at SPring-8 and Synchrotron X-ray Group, National Institute for Materials Science, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan); Department of Innovative and Engineered Material, Tokyo Institute of Technology, Yokohama 226-8503 (Japan); Imai, Yasuhiko [Japan Synchrotron Radiation Research Institute, SPring-8, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Kiguchi, Takanori [Institute for Materials Research, Tohoku University, Sendai, Miyagi 980-8577 (Japan); Shiraishi, Takahisa; Shimizu, Takao; Funakubo, Hiroshi [Department of Innovative and Engineered Material, Tokyo Institute of Technology, Yokohama 226-8503 (Japan)

2015-08-21

The converse piezoelectric responses of (111)- and (001)-epitaxial tetragonal Pb(Zr{sub 0.35}Ti{sub 0.65})O{sub 3} [PZT] films were compared to investigate the orientation dependence of the substrate clamping effect. Synchrotron X-ray diffraction (XRD) and piezoelectric force microscopy revealed that the as-grown (111)-PZT film has a polydomain structure with normal twin boundaries that are changed by the poling process to inclined boundaries, as predicted by Romanov et al. [Phys. Status Solidi A 172, 225 (1999)]. Time-resolved synchrotron XRD under bias voltage showed the negligible impact of substrate clamping on the piezoelectric response in the (111)-PZT film, unlike the case for (001)-PZT film. The origin of the negligible clamping effect in the (111)-PZT film is discussed from the viewpoint of the elastic properties and the compensation of lattice distortion between neighboring domains.

Flower-like Ag/AgCl microcrystals: Synthesis and photocatalytic activity

International Nuclear Information System (INIS)

Daupor, Hasan; Wongnawa, Sumpun

2015-01-01

Silver/silver chloride (Ag/AgCl) composites with a novel flower-like morphology were prepared via a hot precipitation assisted by the vinyl acetate monomer (VAM) route. An aqueous solution of AlCl 3 was mixed with the vinyl acetate monomer and acetic acid before adding a AgNO 3 solution at a temperature of 100 °C. The octapod shaped flower-like Ag/AgCl particles (or “flower-like Ag/AgCl” hereinafter) has eight petals each of which was about 7–11 μm in length. The flower-like octapods were formed by preferential overgrowth along the <111> directions of the cubic seeds. Detailed studies of the growth process at different AlCl 3 concentrations revealed that the concave cube developed into a Rubik's cube where eight corners grew further into the flower-like structures. The VAM and acetic acid concentration strongly affected the growth of the Ag/AgCl to the flower-like structure and their optimum concentrations were determined. The morphologies of these particles were carefully examined by scanning electron microscopy (SEM). The crystal structures and orientation relationship were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and UV–visible diffused reflectance spectroscopy (DRS). The flower-like Ag/AgCl microcrystals were tested for their photocatalytic degradation of orange G dye (OG) catalyzed by visible light. From comparative test runs, the flower-like Ag/AgCl exhibited better photocatalytic activity than simple and commercial Ag/AgCl particles. - Highlights: • Interesting transformation of microcrystals Ag/AgCl from concave cube via Rubik's cube to flower-like shape. • The first to use VAM as morphology control reagent. • High photocatalytic activity under visible light irradiation

X-ray and synchrotron studies of porous silicon

Energy Technology Data Exchange (ETDEWEB)

Sivkov, V. N., E-mail: svn@dm.komisc.ru [Russian Academy of Sciences, Komi Scientific Center, Ural Branch (Russian Federation); Lomov, A. A. [Russian Academy of Sciences, Physical-Technological Institute (Russian Federation); Vasil' ev, A. L. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Nekipelov, S. V. [Komi State Pedagogical Institute (Russian Federation); Petrova, O. V. [Russian Academy of Sciences, Komi Scientific Center, Ural Branch (Russian Federation)

2013-08-15

The results of comprehensive studies of layers of porous silicon of different conductivity types, grown by anodizing standard Si(111) substrates in an electrolyte based on fluoric acid and ethanol with the addition of 5% of iodine and kept in air for a long time, are discussed. Measurements are performed by scanning electron microscopy, high-resolution X-ray diffraction, and ultrasoft X-ray spectroscopy using synchrotron radiation. The structural parameters of the layers (thickness, strain, and porosity) and atomic and chemical composition of the porous-silicon surface are determined. It is found that an oxide layer 1.5-2.3-nm thick is formed on the surface of the silicon skeleton. The near-edge fine structure of the Si 2p absorption spectrum of this layer corresponds to the fine structure of the 2p spectrum of well coordinated SiO{sub 2}. In this case, the fine structure in the Si 2p-edge absorption region of the silicon skeleton is identical to that of the 2p absorption spectrum of crystalline silicon.

Tunneling spectroscopy of a phosphorus impurity atom on the Ge(111)-(2 × 1) surface

Energy Technology Data Exchange (ETDEWEB)

Savinov, S. V.; Oreshkin, A. I., E-mail: oreshkin@spmlab.phys.msu.su, E-mail: oreshkin@spmlab.ru [Moscow State University (Russian Federation); Oreshkin, S. I. [Moscow State University, Sternberg Astronomical Institute (Russian Federation); Haesendonck, C. van [Laboratorium voor Stoffysica en Magnetisme (Belgium)

2015-06-15

We numerically model the Ge(111)-(2 × 1) surface electronic properties in the vicinity of a P donor impurity atom located near the surface. We find a notable increase in the surface local density of states (LDOS) around the surface dopant near the bottom of the empty surface state band π*, which we call a split state due to its limited spatial extent and energetic position inside the band gap. We show that despite the well-established bulk donor impurity energy level position at the very bottom of the conduction band, a surface donor impurity on the Ge(111)-(2 × 1) surface might produce an energy level below the Fermi energy, depending on the impurity atom local environment. It is demonstrated that the impurity located in subsurface atomic layers is visible in a scanning tunneling microscope (STM) experiment on the Ge(111)-(2 × 1) surface. The quasi-1D character of the impurity image, observed in STM experiments, is confirmed by our computer simulations with a note that a few π-bonded dimer rows may be affected by the presence of the impurity atom. We elaborate a model that allows classifying atoms on the experimental low-temperature STM image. We show the presence of spatial oscillations of the LDOS by the density-functional theory method.

Surface x-ray scattering and scanning tunneling microscopy studies at the Au(111) electrode

International Nuclear Information System (INIS)

Ocko, B.M.; Magnussen, O.M.; Wang, J.X.; Adzic, R.R.

1993-01-01

This chapter reviews Surface X-ray Scattering and Scanning Tunneling Microscopy results carried out at the Au(111) surface under electrochemical conditions. Results are presented for the reconstructed surface, and for bromide and thallium monolayers. These examples are used to illustrate the complementary nature of the techniques

Study of impurity-defect interaction by perturbed angular correlations: 111Cd in silver

International Nuclear Information System (INIS)

Sage, Francoise.

1975-01-01

The quadrupole interaction of 111 Cd nuclei following the decay of 111 In implanted by the 109 Ag(α,2n) 111 In reaction into a cubic Ag lattice was measured using the time-differential perturbed-angular correlation technique. A non vanishing quadrupole interaction corresponding to a distribution of electric field gradients was observed, due to the interaction between the 111 Cd impurity and the defects created during the recoil of 111 In nuclei. For low temperature (77 K) irradiations, it has been shown that i) the angular correlation pattern depends on the intensity of α beam current, due to the interaction between defect cascades at high α beam intensity; and ii) it also depends on the annealing of the irradiated sample at different temperatures; the change in the defect configuration around the impurities is then due to the mobility of the various defects [fr

Enhancement in electrical conductivity of pastes containing submicron Ag-coated Cu filler with palmitic acid surface modification

Science.gov (United States)

Choi, Eun Byeol; Lee, Jong-Hyun

2017-09-01

The fabrication and applied use of submicron Ag-coated Cu (Cu@Ag) particles as a filler material for epoxy-based conductive pastes having the advantages of a lower material cost and antioxidation behavior were studied. Submicron Cu@Ag particles were successfully prepared and surface-modified using palmitic acid. Diffuse reflectance infrared Fourier transform spectroscopy and thermogravimetric differential scanning calorimetry results indicated the formation of an organic layer by the chemical interaction between the Cu@Ag surface and palmitic acid and the survival of the organic layer after treatment at 160 °C for 3 h in air. The printed pastes containing both commercial micron Cu@Ag flakes and the fabricated submicron Cu@Ag particles showed a greatly reduced electrical resistivity (4.68 × 10-4 Ω cm) after surface modification compared to an initial value of 1.85 × 10-3 Ω cm when cured.

In situ surface X-ray diffraction study of ultrathin epitaxial Co films on Au(111) in alkaline solution

International Nuclear Information System (INIS)

Reikowski, Finn; Maroun, Fouad; Di, Nan; Allongue, Philippe; Ruge, Martin; Stettner, Jochim; Magnussen, Olaf M.

2016-01-01

The oxidation behavior of ultrathin electrodeposited Co films on Au(111) in alkaline electrolyte was studied using in situ surface X-ray scattering techniques employing synchrotron radiation and complementary optical reflectivity and electrochemical measurements. The films are formed at pH 4 and consist of (001)-oriented hcp Co crystallites that are several nm high, a few ten nm in diameter, and remain largely unchanged after electrolyte exchange to pH 12 solution. In the pre-oxidation peak only minor changes were observed in the diffraction studies, excluding the formation of Co(OH)_2 layers. In the potential regime of Co hydroxide formation a rapid reduction of the amount of Co is observed, while the characteristic height of the islands decreases only slightly. On longer times scales, growth of 3D crystals of Co(OH)_2 occurs as well as irreversible Co dissolution into the electrolyte is found. On the basis of the structural observations oxidation of the Co film is proposed to proceed via fast formation of an ultrathin passivating layer, followed by nucleation and growth of 3D hydroxide crystals at the grain boundaries in the Co deposit.

Model based controls and the AGS booster controls system architecture

International Nuclear Information System (INIS)

Casella, R.A.

1987-01-01

The Heavy Ion Transfer Line used to inject heavy ions created at the Tandem Van de Graaff into the Alternating Gradient Synchrotron (AGS) is briefly discussed, particularly as regards its control system

Controlled Synthesis of Au@AgAu Yolk-Shell Cuboctahedra with Well-Defined Facets.

Science.gov (United States)

Londono-Calderon, Alejandra; Bahena, Daniel; Yacaman, Miguel J

2016-08-02

The synthesis of Au@AgAu yolk-shell cuboctahedra nanoparticles formed by galvanic replacement in a seed-mediated method is described. Initially, single-crystal Au seeds are used for the formation of Au@Ag core-shell nanocubes, which serve as the template material for the deposition of an external Au layer. The well-controlled synthesis yields the formation of cuboctahedra nanoparticles with smooth inner and outer Au/Ag surfaces. The deposition/oxidation process is described to understand the formation of cuboctahedra and octahedra nanoparticles. The Au core maintains the initial morphology of the seed and remains static at the center of the yolk-shell because of residual Ag. Structural analysis of the shell indicates intrinsic stacking faults (SFs) near the surface. Energy dispersive X-ray spectroscopy (EDS) and X-ray photoelectron spectroscopy (XPS) compositional analysis show an Au-Ag nonordered alloy forming the shell. The three-dimensional structure of the nanoparticles presented open facets on the [111] as observed by electron tomography SIRT reconstruction over a stack of high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) images. The geometrical model was validated by analyzing the direction of streaks in coherent nanobeam diffraction (NBD). The catalytic activity was evaluated using a model reaction based on the reduction of 4-nitrophenol (4-NTP) by NaBH4 in the presence of Au@AgAu yolk-shell nanoparticles.

Adsorption properties of AlN on Si(111) surface: A density functional study

Science.gov (United States)

Yuan, Yinmei; Zuo, Ran; Mao, Keke; Tang, Binlong; Zhang, Zhou; Liu, Jun; Zhong, Tingting

2018-04-01

In the process of preparing GaN on Si substrate by MOCVD, an AlN buffer layer is very important. In this study, we conducted density functional theory calculations on the adsorption of AlN molecule on Si(111)-(2 × 2) surface, with the AlN molecule located horizontally or vertically above Si(111) surface at different adsorption sites. The calculations revealed that the lowest adsorption energy was at the N-top-Al-bridge site in the horizontal configuration, with the narrowest band gap, indicating that it was the most preferential adsorption growth status of AlN. In the vertical configurations, N adatom was more reactive and convenient to form bonds with the topmost Si atoms than Al adatom. When the N-end of the AlN molecule was located downward, the hollow site was the preferred adsorption site; when the Al-end was located downward, the bridge site was the most energetically favorable. Moreover, we investigated some electronic properties such as partial density of states, electron density difference, Mulliken populations, etc., revealing the microscale mechanism for AlN adsorption on Si(111) surface and providing theoretical support for adjusting the processing parameters during AlN or GaN production.

Adsorption and dissociation of oxygen molecules on Si(111)-(7×7) surface

International Nuclear Information System (INIS)

Niu, Chun-Yao; Wang, Jian-Tao

2013-01-01

The adsorption and dissociation of O 2 molecules on Si(111)-(7×7) surface have been studied by first-principles calculations. Our results show that all the O 2 molecular species adsorbed on Si(111)-(7×7) surface are unstable and dissociate into atomic species with a small energy barrier about 0.1 eV. The single O 2 molecule adsorption tends to form an ins×2 or a new metastable ins×2* structure on the Si adatom sites and the further coming O 2 molecules adsorb on those structures to produce an ad-ins×3 structure. The ad-ins×3 structure is indeed highly stable and kinetically limited for diving into the subsurface layer to form the ins×3-tri structure by a large barrier of 1.3 eV. Unlike the previous views, we find that all the ad-ins, ins×2, and ad-ins×3 structures show bright images, while the ins×2*, ins×3, and ins×3-tri structures show dark images. The proposed oxidation pathways and simulated scanning tunneling microscope images account well for the experimental results and resolve the long-standing confusion and issue about the adsorption and reaction of O 2 molecules on Si(111) surface

Structure investigation of organic molecules on Au(111) surfaces; Strukturuntersuchung organischer Molekuele auf Au(111)-Oberflaechen

Energy Technology Data Exchange (ETDEWEB)

Kazempoor, Michel

2009-02-02

The present work covers two topics namely the coadsorption of formic acid and water on Au(111) and the structure of biphenylalkanthiole SAMs on Au(111) surfaces. The coadsorption of formic acid and water on Au(111) surfaces has been investigated by means of vibrational and photoelectron spectroscopy (HREELS, XPS). Formic acid adsorbs at 90 K molecularly with vibrational modes characteristic for flat lying zig-zag chains in the mono- and multilayer regime, like in solid formic acid. The structure of the flat lying formic acid chains was determined by low energy electron diffraction (LEED) as a (2r3 x r19) unit cell. Annealing results in a complete desorption at 190 K. Sequential adsorption of formic acid and water at 90 K shows no significant chemical interaction. Upon annealing the coadsorbed layer to 140 K a hydrogenbonded cyclic complex of formic acid with one water molecule could be identified using isotopically labelled adsorbates. Upon further annealing this complex decomposes leaving molecularly adsorbed formic acid on the surface at 160 K, accompanied by a proton exchange between formic acid and water. The influence of the alkane spacer chain length on the structure of biphenylalkanethiols on Au(111) surfaces was investigated as well. A systematic study was done on BPn-SAMs deposited from the gas phase. For every chain length a structure was found by LEED. Furthermore the influence of temperature on the structure was investigated in the range from room temperature up to about 400 K. To obviate influences from different preparation methods BP3 and BP4 was deposited from gas phase and from solution. No LEED spots were observed on BP4 SAMs deposited from solution. For BP3 an influence of the preparation could be excluded. For all BPn-SAMs a good agreement between LEED and STM data's was found. Nevertheless different unit cells were determined by LEED and STM consistent structures could be suggested considering the unit cell size given by LEED and the

Upgrading the AGS polarized beam facility

International Nuclear Information System (INIS)

Ratner, L.G.

1991-01-01

Although present techniques for crossing depolarizing resonances in circular accelerators work, they are very time-consuming to implement and were only able to provide about a 40% polarized beam at 22 GeV in the Alternating Gradient Synchrotron (AGS). We propose to install a partial ''Siberian Snake'' solenoid in the AGS to eliminate the need to correct imperfection resonances and to make other modifications in our intrinsic resonance correctors. This will allow us to reach an energy of 25 GeV with 70% polarization and will enable the AGS to be an efficient injector of polarized protons into the Relativistic Heavy Ion Collider (RHIC), as well as being able to carry on a fixed-target program with minimum set-up time. 3 refs., 5 figs., 1 tab

Optical systems for synchrotron radiation. Lecture 2. Mirror systems

International Nuclear Information System (INIS)

Howells, M.R.

1986-02-01

The process of reflection of VUV and x-radiation is summarized. The functions of mirrors in synchrotron beamlines are described, which include deflection, filtration, power absorption, formation of a real image, focusing, and collimation. Fabrication of optical surfaces for synchrotron radiation beamlines are described, and include polishing of a near spherical surface as well as bending a cylindrical surface to toroidal shape. The imperfections present in mirrors, aberrations and surface figure inaccuracy, are discussed. Calculation of the thermal load of a mirror in a synchrotron radiation beam and the cooling of the mirror are covered briefly. 50 refs., 7 figs

Tuning the giant Rashba effect on a BiAg2 surface alloy: Two different approaches

International Nuclear Information System (INIS)

Frantzeskakis, E.; Crepaldi, A.; Pons, S.; Kern, K.; Grioni, M.

2010-01-01

We discuss two different approaches for tuning the giant spin-orbit splitting of a BiAg 2 surface alloy. The first approach consists of electron doping by alkaline metal deposition in order to shift the energy position of the spin-split surface states, while the second is based on the novel Si(1 1 1)-Ag-BiAg 2 trilayer system. In both cases the spin-polarized structure near the Fermi level can be controlled by an external parameter, while the second approach permits coupling the concept of giant spin-splitting with a semiconducting substrate.

Self-organization of a self-assembled supramolecular rectangle, square, and three-dimensional cage on Au111 surfaces.

Science.gov (United States)

Yuan, Qun-Hui; Wan, Li-Jun; Jude, Hershel; Stang, Peter J

2005-11-23

The structure and conformation of three self-assembled supramolecular species, a rectangle, a square, and a three-dimensional cage, on Au111 surfaces were investigated by scanning tunneling microscopy. These supramolecular assemblies adsorb on Au111 surfaces and self-organize to form highly ordered adlayers with distinct conformations that are consistent with their chemical structures. The faces of the supramolecular rectangle and square lie flat on the surface, preserving their rectangle and square conformations, respectively. The three-dimensional cage also forms well-ordered adlayers on the gold surface, forming regular molecular rows of assemblies. When the rectangle and cage were mixed together, the assemblies separated into individual domains, and no mixed adlayers were observed. These results provide direct evidence of the noncrystalline solid-state structures of these assemblies and information about how they self-organize on Au111 surfaces, which is of importance in the potential manufacturing of functional nanostructures and devices.

An approach for scalable production of silver (Ag) decorated WS2 nanosheets

Science.gov (United States)

Sumesh, C. K.; Kapatel, Sanni; Chaudhari, Arti

2018-05-01

In the Present study we report the synthesis of Ag nanoparticles (NPs) decorated WS2 nanosheets by sonochemical exfoliation followed by simple chemical reduction process at room temperature. The morphology and microstructure of the as-synthesized Ag-WS2 nanocomposite were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM) and optical absorption (UV-Vis.) spectroscopy. X-ray and TEM analysis shows the presence of Ag with significant peak over 38.08°, 44.22°, 64.37° and 77.33° at 2θ angle for (111), (200), (220) and (311) respectively. The Ag nanoparticles are randomly distributed throughout the surface of the WS2 nanosheets without undergoing further oxidation during the formation of composites. The formation of Ag-WS2 nanocomposites shows a clear blue shift in the absorption as we obtained the characteristics absorption valleys at 456, 536 and 631 nm from the UV Vis spectroscopy analysis compared to pure WS2 nanosheets. Henceforth a facile method for the Ag decoration on WS2 nanosheets was put forward and briefly discussed. The proposed synthesis method is very promising for the low cost and large-scale synthesis of other noble metal incorporation TMDC compounds.

Surface photovoltage investigation of gold chains on Si(111) by two-photon photoemission

Energy Technology Data Exchange (ETDEWEB)

Otto, Sebastian; Biedermann, Kerstin; Fauster, Thomas [Lehrstuhl fuer Festkoerperphysik, Universitaet Erlangen-Nuernberg, Staudtstr. 7, D-91058 Erlangen (Germany)

2011-07-01

We present surface photovoltage measurements on Si(111)-(7 x 7) with monoatomic gold chains. The gold coverage was varied between zero and 0.6 ML, where the Si(111)-(5 x 2)-Au reconstruction covers the surface completely. During the two-photon photoemission experiments the p- or n-doped samples were illuminated by infrared (IR, E{sub IR}=1.55 eV) and ultraviolet (UV, E{sub UV}=4.65 eV) laser pulses. For all coverages the photovoltage was determined for sample temperatures of 90 K and 300 K by variation of the IR and UV laser power. P-doped as well as n-doped Si(111) wafers show a linear dependence of the photovoltage on gold coverage. This stands in contrast to scanning tunneling spectroscopy measurements, which show a coverage-independent photovoltage over a wide coverage range for n-doped wafers. While for p-doped wafers our experimentally determined photovoltage is in agreement with previous reports, for n-doped wafers the observed values are lower than expected.

Unraveling the oxygen vacancy structures at the reduced Ce O2(111 ) surface

Science.gov (United States)

Han, Zhong-Kang; Yang, Yi-Zhou; Zhu, Beien; Ganduglia-Pirovano, M. Verónica; Gao, Yi

2018-03-01

Oxygen vacancies at ceria (Ce O2 ) surfaces play an essential role in catalytic applications. However, during the past decade, the near-surface vacancy structures at Ce O2(111 ) have been questioned due to the contradictory results from experiments and theoretical simulations. Whether surface vacancies agglomerate, and which is the most stable vacancy structure for varying vacancy concentration and temperature, are being heatedly debated. By combining density functional theory calculations and Monte Carlo simulations, we proposed a unified model to explain all conflicting experimental observations and theoretical results. We find a novel trimeric vacancy structure which is more stable than any other one previously reported, which perfectly reproduces the characteristics of the double linear surface oxygen vacancy clusters observed by STM. Monte Carlo simulations show that at low temperature and low vacancy concentrations, vacancies prefer subsurface sites with a local (2 × 2) ordering, whereas mostly linear surface vacancy clusters do form with increased temperature and degree of reduction. These results well explain the disputes about the stable vacancy structure and surface vacancy clustering at Ce O2(111 ) , and provide a foundation for the understanding of the redox and catalytic chemistry of metal oxides.

The X-ray investigation of GaAs nanorods grown onto Si[111] substrate

Energy Technology Data Exchange (ETDEWEB)

Davydok, A.; Biermanns, Andreas; Pietsch, Ullrich [University of Siegen (Germany); Breuer, Steffen; Geelhaar, Lutz [Paul-Drude-Institut fuer Festkoerperelektronik, Berlin (Germany)

2010-07-01

Nanorods (NR) are of particular interest due to the ability to synthesize single-crystalline 1D epitaxial structures and heterostructures in the nanometer range. It was found that nearly any AIIIBV semiconductor material can be grown as NRs onto another AIIIBV or group IV[111] substrate independent from lattice mismatch. We presented an X-ray characterization of GaAs NRs on Si[111] grown by gold-seed assist MBE method. We concentrated our research on 4 samples with different growth time: a) at 5s growth time several island but no NWs are found on the surface; b) at 60 s first NWs appeared; c) at 150 s the size of rods is increased; d) at 1800 s many NWs occupy the whole surface. Using synchrotron radiation we have performed experiments in symmetrical and asymmetrical out-of plane scattering geometry and depth resolved grazing-incidence diffraction. Combining the results we were able to determine the strain gradient between wurzite like NR and zincblende substrate. Using particularly asymmetric wurzite-like reflections under coherent beam illumination we could quantify the number of stacking faults In the talk we present details of the analysis and first simulation results.

Immobilization of Ag nanoparticles/FGF-2 on a modified titanium implant surface and improved human gingival fibroblasts behavior.

Science.gov (United States)

Ma, Qianli; Mei, Shenglin; Ji, Kun; Zhang, Yumei; Chu, Paul K

2011-08-01

The objective of this study was to form a rapid and firm soft tissue sealing around dental implants that resists bacterial invasion. We present a novel approach to modify Ti surface by immobilizing Ag nanoparticles/FGF-2 compound bioactive factors onto a titania nanotubular surface. The titanium samples were anodized to form vertically organized TiO(2) nanotube arrays and Ag nanoparticles were electrodeposited onto the nanotubular surface, on which FGF-2 was immobilized with repeated lyophilization. A uniform distribution of Ag nanoparticles/FGF-2 was observed on the TiO(2) nanotubular surface. The L929 cell line was used for cytotoxicity assessment. Human gingival fibroblasts (HGFs) were cultured on the modified surface for cytocompatibility determination. The Ag/FGF-2 immobilized samples displayed excellent cytocompatibility, negligible cytotoxicity, and enhanced HGF functions such as cell attachment, proliferation, and ECM-related gene expression. The Ag nanoparticles also exhibit some bioactivity. In conclusion, this modified TiO(2) nanotubular surface has a large potential for use in dental implant abutment. Copyright © 2011 Wiley Periodicals, Inc.

Ag K- and L3-edge XAFS study on Ag species in Ag/Ga2O3 photocatalysts

International Nuclear Information System (INIS)

Yamamoto, M; Yamamoto, N; Yoshida, T; Nomoto, T; Yamamoto, A; Yoshida, H; Yagi, S

2016-01-01

Ag loaded Ga 2 O 3 (Ag/Ga 2 O 3 ) shows photocatalytic activity for reduction of CO 2 with water. Ag L 3 -edge XANES and K-edge EXAFS spectra were measured for various Ag/Ga 2 O 3 samples, which suggested that structural and chemical states of Ag species varied with the loading amount of Ag and the preparation method. The Ag species were metallic Ag particles with an AgGaO 2 -like interface structure in the sample with high loading amount of Ag while predominantly Ag metal clusters in the sample with low loading amount of Ag. The XANES feature just above the edge represented the interaction between the Ag species and the Ga 2 O 3 surface, showing that the Ag metal clusters had more electrons in the d -orbitals by interacting with the Ga 2 O 3 surface, which would contribute the high photocatalytic activity. (paper)

Overlayer structure of subphthalocyanine derivative deposited on Au (111) surface by a spray-jet technique

International Nuclear Information System (INIS)

Suzuki, Hitoshi; Yamada, Toshiki; Miki, Hideki; Mashiko, Shinro

2006-01-01

A new spray-jet technique was used to deposit subphthalocyanine derivative (chloro[tri-tert-butyl subphthalocyaninato]boron (TBSubPc)) on Au (111) surface in an ultra-high vacuum (UHV) chamber. The deposited molecular overlayer was observed with UHV scanning tunneling microscopy (STM) at 77 K. The STM images showed that TBSubPc molecules formed a stripe pattern with regular spacing, indicating that they preferentially adsorbed along the herringbone structure of the Au (111) surface. This behavior was very similar to that of TBSubPc molecules deposited by thermal evaporation

Ion etching of Ag(1 1 0) studied by X-ray and STM

CERN Document Server

Boragno, C; Costantini, G; Felici, R; Ferrer, S; Smilgies, D M; Valbusa, U

2002-01-01

The evolution of the morphology of ion sputtered Ag(1 1 0) has been studied by X-ray technique at the European Synchrotron Radiation in Grenoble and by scanning tunneling microscope. The surface was bombarded with Ar sup + ions at an energy of 1 keV, changing the temperature in the range 100-320 K. The erosion is never layer by layer in the explored temperature range. On the contrary, regular structures (ripples) can be created on the surface, and their orientation rotates by 90 deg. by changing temperature. Also the slope of the mounds/ripples changes with temperature, ranging between 6 deg. and 12 deg. if measured along and between 8 deg. and 10 deg. along .

Atomic mechanisms of γ' precipitate plate growth in the Al-Ag system

International Nuclear Information System (INIS)

Howe, J.M.

1985-03-01

Energy-dispersive x-ray spectroscopy results that the precipitates have the composition Ag 2 Al. High-resolution electron microscopy of γ' precipitates in both // and // orientations shows that all interfaces of the precipitate are largely coherent with the matrix and are faceted along low-energy (111) and (110) matrix plans, due to the influence of surface and elastic strain energies on the transformation. Further comparison between experimental and calculated high-resolution images of the precipitate/matrix interface and of Shockley partial dislocation ledges on the precipitate faces demonstrates that both thickening and lengthening of γ' precipitate plates occurs by the passage of the Shockley partial dislocations along alternate (111) matrix planes by a terrace-ledge-kink mechanism. These images and electron diffraction information also indicate that the γ' precipitates are ordered, where the A-planes in the precipitate contain nearly pure Ag and the B-planes have the composition Al 2 Ag, and that the limiting reaction in the growth process is the substitutional diffusion of Ag cross kinks in the Shockley partial dislocations, which terminate in the Ag-rich A-planes. The terraces between ledges are atomically flat and ledges are uniformly stepped-down from the centers to the edges of isolated precipitates. Convergent-beam electron diffraction (CBED) analyses of γ' precipitates indicate that they have the space group P6 3 /mmc. Effect of specimen thickness on symmetry determinations by CBED was also examined for an α-titanium sample. Results show that the symmetries observed in CBED patterns from thin specimens may be due to the limited thickness of the specimen, rather than to the actual space group of the material

Temperature dependence of the electric field gradient in AgPd and AgPt alloys

International Nuclear Information System (INIS)

Krolas, K.

1977-07-01

The measurements of temperature dependence of the electric field gradient (EFG) on 111 Cd nuclei in AgPd and AgPt alloys were performed using the time dependent perturbed angular correlation method. The EFG caused by impurities distributed in further coordination shells decrease stronaer with increasing temperature than the EFG due to single impurity being the nearest neighbour of the probe atom. These results were explained assuming different modes of thermal vibrations of single impurity atoms and impurity complexes in silver host lattice. (author)

Hydrogen adsorption on bimetallic PdAu(111) surface alloys

DEFF Research Database (Denmark)

Takehiro, Naoki; Liu, Ping; Bergbreiter, Andreas

2014-01-01

The adsorption of hydrogen on structurally well defined PdAu-Pd(111) monolayer surface alloys was investigated in a combined experimental and theoretical study, aiming at a quantitative understanding of the adsorption and desorption properties of individual PdAu nanostructures. Combining...... the structural information obtained by high resolution scanning tunneling microscopy (STM), in particular on the abundance of specific adsorption ensembles at different Pd surface concentrations, with information on the adsorption properties derived from temperature programmed desorption (TPD) spectroscopy...... and high resolution electron energy loss spectroscopy (HREELS) provides conclusions on the minimum ensemble size for dissociative adsorption of hydrogen and on the adsorption energies on different sites active for adsorption. Density functional theory (DFT) based calculations give detailed insight...

Quantum confinement and heavy surface states of Dirac fermions in bismuth (111) films: An analytical approach

Science.gov (United States)

Enaldiev, V. V.; Volkov, V. A.

2018-03-01

Recent high-resolution angle-resolved photoemission spectroscopy experiments have given a reason to believe that pure bismuth is a topologically nontrivial semimetal. We derive an analytic theory of surface and size-quantized states of Dirac fermions in Bi(111) films taking into account the new data. The theory relies on a new phenomenological momentum-dependent boundary condition for the effective Dirac equation. The boundary condition is described by two real parameters that are expressed by a linear combination of the Dresselhaus and Rashba interface spin-orbit interaction parameters. In semi-infinite Bi(111), near the M ¯ point the surface states possess anisotropical parabolic dispersion with very heavy effective mass in the Γ ¯-M ¯ direction order of ten free electron masses and light effective mass in the M ¯-K ¯ direction order of one hundredth of free electron mass. In Bi(111) films with equivalent surfaces, the surface states from top and bottom surfaces are not split. In such a symmetric film with arbitrary thickness, the bottom of the lowest quantum confinement subband in the conduction band coincides with the bottom of the bulk conduction band in the M ¯ point.

BNL alternating gradient synchrotron with four helical magnets to minimize the losses of the polarized proton beam

Directory of Open Access Journals (Sweden)

N. Tsoupas

2013-04-01

Full Text Available The principle of using multiple partial helical magnets to preserve the polarization of the proton beam during its acceleration was applied successfully to the alternating gradient synchrotron (AGS which currently operates with two partial helical magnets. In this paper we further explore this idea by using four partial helical magnets placed symmetrically in the AGS ring. This provides many advantages over the present setup of the AGS, which uses two partial helical magnets. First, the symmetric placement of the four helical magnets and their relatively lower field of operation allows for better control of the AGS optics with reduced values of the beta functions especially near beam injection and allows both the vertical and horizontal tunes to be placed within the “spin tune gap,” therefore eliminating the horizontal and vertical intrinsic spin resonances of the AGS during the acceleration cycle. Second, it provides a wider spin tune gap. Third, the vertical spin direction during beam injection and extraction is closer to vertical. Although the spin tune gap, which is created with four partial helices, can also be created with a single or two partial helices, the high field strength of a single helical magnet which is required to generate such a spin tune gap makes the use of the single helical magnet impractical, and that of the two helical magnets rather difficult. In this paper we will provide results on the spin tune and on the optics of the AGS with four partial helical magnets, and compare them with those from the present setup of the AGS that uses two partial helical magnets. Although in this paper we specifically discuss the effect of the four partial helices on the AGS, this method which can eliminate simultaneously the vertical and horizontal intrinsic spin resonances is a general method and can be applied to any medium energy synchrotron which operates in similar energy range like the AGS and provides the required space to

Surface acidity scales: Experimental measurements of Brønsted acidities on anatase TiO2 and comparison with coinage metal surfaces

Science.gov (United States)

Silbaugh, Trent L.; Boaventura, Jaime S.; Barteau, Mark A.

2016-08-01

The first quantitative surface acidity scale for Brønsted acids on a solid surface is presented through the use of titration-displacement and equilibrium experiments on anatase TiO2. Surface acidities of species on TiO2 correlated with gas phase acidities, as was previously observed in qualitative studies of Brønsted acid displacement on Ag(110), Cu(110) and Au(111). A 90% compression of the surface acidity scale relative to the gas phase was observed due to compensation from the covalent component of the conjugate base - surface bond. Adsorbed conjugate bases need not be completely anionic for correlations with gas phase acidities to hold. Positive and negative substituent effects, such as substituted fluorine and hydrocarbon sidechain dispersion interactions with the surface, may modify the surface acidity scale, in agreement with previous experimental and theoretical work on Au(111).

Effect of strain on surface diffusion and nucleation

DEFF Research Database (Denmark)

Brune, Harald; Bromann, Karsten; Röder, Holger

1995-01-01

The influence of strain on diffusion and nucleation has been studied by means of scanning tunneling microscopy and effective-medium theory for Ag self-diffusion on strained and unstrained (111) surfaces. Experimentally, the diffusion barrier is observed to be substantially lower on a pseudomorphic...... effect on surface diffusion and nucleation in heteroepitaxy and are thus of significance for the film morphology in the kinetic growth regime....

Absence of surface stress change during pentacene thin film growth on the Si(111)-(7 x 7) surface: a buried reconstruction interface

International Nuclear Information System (INIS)

Kury, P; Horn von Hoegen, M; Heringdorf, F-J Meyer zu; Roos, K R

2008-01-01

We use high-resolution surface stress measurements to monitor the surface stress during the growth of pentacene (C 22 H 14 ) on the (7x7) reconstructed silicon (111) surface. No significant change in the surface stress is observed during the pentacene growth. Compared to the changes in the surface stress observed for Si and Ge deposition on the Si(111)-(7x7) surface, the insignificant change in the surface stress observed for the pentacene growth suggests that the pentacene molecules of the first adsorbate layer, although forming strong covalent bonds with the Si adatoms, do not alter the structure of the (7x7) reconstruction. The (7x7) reconstruction remains intact and, with subsequent deposition of pentacene, eventually becomes buried under the growing film. This failure of the pentacene to affect the structure of the reconstruction may represent a fundamental difference between the growth of organic thin films and that of inorganic thin films on semiconductor surfaces

Well-ordered structure of methylene blue monolayers on Au(111) surface: electrochemical scanning tunneling microscopy studies.

Science.gov (United States)

Song, Yonghai; Wang, Li

2009-02-01

Well-ordered structure of methylene blue (MB) monolayers on Au(111) surface has been successfully obtained by controlling the substrate potential. Electrochemical scanning tunneling microscopy (ECSTM) examined the monolayers of MB on Au(111) in 0.1 M HClO(4) and showed long-range ordered, interweaved arrays of MB with quadratic symmetry on the substrate in the potential range of double-layer charging. High-resolution ECSTM image further revealed the details of the MB monolayers structure of c(5 x 5 radical 3)rect and the flat-lying orientation of ad-molecules. The dependence of molecular organization on the substrate potential and the formation mechanism of well-ordered structure on Au(111) surface were investigated in detail. The obtained well-ordered structure at the interface between a metal and an aqueous electrolyte might possibly be used as high-density device for signal memory and templates for the advanced nanopatterning of surfaces. (c) 2008 Wiley-Liss, Inc.

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.

Vanadium and molybdenum oxide thin films on Au(111). Growth and surface characterization

Energy Technology Data Exchange (ETDEWEB)

Guimond, Sebastien

2009-06-04

The growth and the surface structure of well-ordered V{sub 2}O{sub 3}, V{sub 2}O{sub 5} and MoO{sub 3} thin films have been investigated in this work. These films are seen as model systems for the study of elementary reaction steps occurring on vanadia and molybdena-based selective oxidation catalysts. It is shown that well-ordered V{sub 2}O{sub 3}(0001) thin films can be prepared on Au(111). The films are terminated by vanadyl groups which are not part of the V{sub 2}O{sub 3} bulk structure. Electron irradiation specifically removes the oxygen atoms of the vanadyl groups, resulting in a V-terminated surface. The fraction of removed vanadyl groups is controlled by the electron dose. Such surfaces constitute interesting models to probe the relative role of both the vanadyl groups and the undercoordinated V ions at the surface of vanadia catalysts. The growth of well-ordered V{sub 2}O{sub 5}(001) and MoO{sub 3}(010) thin films containing few point defects is reported here for the first time. These films were grown on Au(111) by oxidation under 50 mbar O{sub 2} in a dedicated high pressure cell. Contrary to some of the results found in the literature, the films are not easily reduced by annealing in UHV. This evidences the contribution of radiation and surface contamination in some of the reported thermal reduction experiments. The growth of ultrathin V{sub 2}O{sub 5} and MoO{sub 3} layers on Au(111) results in formation of interface-specific monolayer structures. These layers are coincidence lattices and they do not correspond to any known oxide bulk structure. They are assumed to be stabilized by electronic interaction with Au(111). Their formation illustrates the polymorphic character and the ease of coordination units rearrangement which are characteristic of both oxides. The formation of a second layer apparently precedes the growth of bulk-like crystallites for both oxides. This observation is at odds with a common assumption that crystals nucleate as soon as a

Vanadium and molybdenum oxide thin films on Au(111). Growth and surface characterization

International Nuclear Information System (INIS)

Guimond, Sebastien

2009-01-01

The growth and the surface structure of well-ordered V 2 O 3 , V 2 O 5 and MoO 3 thin films have been investigated in this work. These films are seen as model systems for the study of elementary reaction steps occurring on vanadia and molybdena-based selective oxidation catalysts. It is shown that well-ordered V 2 O 3 (0001) thin films can be prepared on Au(111). The films are terminated by vanadyl groups which are not part of the V 2 O 3 bulk structure. Electron irradiation specifically removes the oxygen atoms of the vanadyl groups, resulting in a V-terminated surface. The fraction of removed vanadyl groups is controlled by the electron dose. Such surfaces constitute interesting models to probe the relative role of both the vanadyl groups and the undercoordinated V ions at the surface of vanadia catalysts. The growth of well-ordered V 2 O 5 (001) and MoO 3 (010) thin films containing few point defects is reported here for the first time. These films were grown on Au(111) by oxidation under 50 mbar O 2 in a dedicated high pressure cell. Contrary to some of the results found in the literature, the films are not easily reduced by annealing in UHV. This evidences the contribution of radiation and surface contamination in some of the reported thermal reduction experiments. The growth of ultrathin V 2 O 5 and MoO 3 layers on Au(111) results in formation of interface-specific monolayer structures. These layers are coincidence lattices and they do not correspond to any known oxide bulk structure. They are assumed to be stabilized by electronic interaction with Au(111). Their formation illustrates the polymorphic character and the ease of coordination units rearrangement which are characteristic of both oxides. The formation of a second layer apparently precedes the growth of bulk-like crystallites for both oxides. This observation is at odds with a common assumption that crystals nucleate as soon as a monolayer is formed dur-ing the preparation of supported vanadia

Mesoscopic self-organization of a self-assembled supramolecular rectangle on highly oriented pyrolytic graphite and Au(111) surfaces.

Science.gov (United States)

Gong, Jian-Ru; Wan, Li-Jun; Yuan, Qun-Hui; Bai, Chun-Li; Jude, Hershel; Stang, Peter J

2005-01-25

A self-assembled supramolecular metallacyclic rectangle was investigated with scanning tunneling microscopy on highly oriented pyrolytic graphite and Au(111) surfaces. The rectangles spontaneously adsorb on both surfaces and self-organize into well ordered adlayers. On highly oriented pyrolytic graphite, the long edge of the rectangle stands on the surface, forming a 2D molecular network. In contrast, the face of the rectangle lays flat on the Au(111) surface, forming linear chains. The structures and intramolecular features obtained through high-resolution scanning tunneling microscopy imaging are discussed.

Facile synthesis of gold-silver nanocages with controllable pores on the surface.

Science.gov (United States)

Chen, Jingyi; McLellan, Joseph M; Siekkinen, Andrew; Xiong, Yujie; Li, Zhi-Yuan; Xia, Younan

2006-11-22

Gold-silver alloy nanocages with controllable pores on the surface have been synthesized via galvanic replacement reaction between truncated Ag nanocubes and aqueous HAuCl4. Unlike in the previous studies, the initiation of replacement reaction started in a controllable way, simultaneously from eight corners of the truncated Ag nanocubes where {111} facets were exposed. The formation of cubic nanocages with pores at all the corners was determined by the capping agent, poly(vinyl pyrrolidone) (PVP), which preferentially covered the {100} facets of a truncated Ag nanocube.

Structural Defects of Silver Hollandite, Ag(x)Mn8O(y), Nanorods: Dramatic Impact on Electrochemistry.

Science.gov (United States)

Wu, Lijun; Xu, Feng; Zhu, Yimei; Brady, Alexander B; Huang, Jianping; Durham, Jessica L; Dooryhee, Eric; Marschilok, Amy C; Takeuchi, Esther S; Takeuchi, Kenneth J

2015-08-25

Hollandites (OMS-2) are an intriguing class of sorbents, catalysts, and energy storage materials with a tunnel structure permitting one-dimensional insertion and deinsertion of ions and small molecules along the c direction. A 7-fold increase in delivered capacity for Li/AgxMn8O16 electrochemical cells (160 versus 23 mAh/g) observed upon a seemingly small change in silver content (x ∼1.1 (L-Ag-OMS-2) and 1.6 (H-Ag-OMS-2)) led us to characterize the structure and defects of the silver hollandite material. Herein, Ag hollandite nanorods are studied through the combined use of local (atomic imaging, electron diffraction, electron energy-loss spectroscopy) and bulk (synchrotron based X-ray diffraction, thermogravimetric analysis) techniques. Selected area diffraction and high resolution transmission electron microscopy show a structure consistent with that refined by XRD; however, the Ag occupancy varies significantly even within neighboring channels. Both local and bulk measurements indicate a greater quantity of oxygen vacancies in L-Ag-OMS-2, resulting in lower average Mn valence relative to H-Ag-OMS-2. Electron energy loss spectroscopy shows a lower Mn oxidation state on the surface relative to the interior of the nanorods, where the average Mn valence is approximately Mn(3.7+) for H-Ag-OMS-2 and Mn(3.5+) for L-Ag-OMS-2 nanorods, respectively. The higher delivered capacity of L-Ag-OMS-2 may be related to more oxygen vacancies compared to H-Ag-OMS-2. Thus, the oxygen vacancies and MnO6 octahedra distortion are assumed to open the MnO6 octahedra walls, facilitating Li diffusion in the ab plane. These results indicate crystallite size and surface defects are significant factors affecting battery performance.

Superstructure of self-aligned hexagonal GaN nanorods formed on nitrided Si(111) surface

Energy Technology Data Exchange (ETDEWEB)

Kumar, Praveen; Tuteja, Mohit; Kesaria, Manoj; Waghmare, U. V.; Shivaprasad, S. M. [Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore 560 064 (India)

2012-09-24

We present here the spontaneous formation of catalyst-free, self-aligned crystalline (wurtzite) nanorods on Si(111) surfaces modified by surface nitridation. Nanorods grown by molecular beam epitaxy on bare Si(111) and non-stoichiometric silicon nitride interface are found to be single crystalline but disoriented. Those grown on single crystalline Si{sub 3}N{sub 4} intermediate layer are highly dense c-oriented hexagonal shaped nanorods. The morphology and the self-assembly of the nanorods shows an ordered epitaxial hexagonal superstructure, suggesting that they are nucleated at screw dislocations at the interface and grow spirally in the c-direction. The aligned nanorod assembly shows high-quality structural and optical emission properties.

Heavy ion acceleration at the AGS

International Nuclear Information System (INIS)

Lee, Y.Y.

1989-01-01

The Brookhaven AGS is alternating gradient synchrotron, 807 meters in circumference, which was originally designed for only protons. Using the 15 MV Brookhaven Tandem Van de Graaff as an injector, the AGS started to accelerate heavy ions of mass lighter than sulfur. Because of the relatively poor vacuum (∼10 -8 Torr), the AGS is not able to accelerate heavier ions which could not be fully stripped of electrons at the Tandem energy. When the AGS Booster, which is under construction, is completed the operation will be extended to all species of heavy ions including gold and uranium. Because ultra-high vacuum (∼10 -11 Torr) is planned, the Booster can accelerate partially stripped elements. The operational experience, the parameters, and scheme of heavy ion acceleration will be presented in detail from injection to extraction, as well as future injection into the new Relativistic Heavy Ion Collider (RHIC). A future plan to improve intensity of the accelerator will also be presented. 5 figs., 4 tabs

Remote Determination of Time-Dependent Stiffness of Surface-Degrading-Polymer Scaffolds Via Synchrotron-Based Imaging.

Science.gov (United States)

Bawolin, N K; Chen, X B

2017-04-01

Surface-degrading polymers have been widely used to fabricate scaffolds with the mechanical properties appropriate for tissue regeneration/repair. During their surface degradation, the material properties of polymers remain approximately unchanged, but the scaffold geometry and thus mechanical properties vary with time. This paper presents a novel method to determine the time-dependent mechanical properties, particularly stiffness, of scaffolds from the geometric changes captured by synchrotron-based imaging, with the help of finite element analysis (FEA). Three-dimensional (3D) tissue scaffolds were fabricated from surface-degrading polymers, and during their degradation, the tissue scaffolds were imaged via the synchrotron-based imaging to characterize their changing geometry. On this basis, the stiffness behavior of scaffolds was estimated from the FEA, and the results obtained were compared to the direct measurements of scaffold stiffness from the load-displacement material testing. The comparison illustrates that the Young's moduli estimated from the FEA and characterized geometry are in agreement with the ones of direct measurements. The developed method of estimating the mechanical behavior was also demonstrated effective with a nondegrading scaffold that displays the nonlinear stress-strain behavior. The in vivo monitoring of Young's modulus by morphology characterization also suggests the feasibility of characterizing experimentally the difference between in vivo and in vitro surface degradation of tissue engineering constructs.

Surface-enhanced Raman scattering active gold nanostructure fabricated by photochemical reaction of synchrotron radiation

Energy Technology Data Exchange (ETDEWEB)

Yamaguchi, Akinobu, E-mail: yamaguti@lasti.u-hyogo.ac.jp [Laboratory of Advance Science and Technology for Industry, University of Hyogo, 3-1-2 Koto, Kamigori, Ako, Hyogo 678-1205 (Japan); Matsumoto, Takeshi [Laboratory of Advance Science and Technology for Industry, University of Hyogo, 3-1-2 Koto, Kamigori, Ako, Hyogo 678-1205 (Japan); Okada, Ikuo; Sakurai, Ikuya [Synchrotoron Radiation Research Center, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8603 (Japan); Utsumi, Yuichi [Laboratory of Advance Science and Technology for Industry, University of Hyogo, 3-1-2 Koto, Kamigori, Ako, Hyogo 678-1205 (Japan)

2015-06-15

The deposition of gold nanoparticles in an electroplating solution containing gold (I) trisodium disulphite under synchrotron X-ray radiation was investigated. The nanoparticles grew and aggregated into clusters with increasing radiation time. This behavior is explained by evaluating the effect of Derjaguin-Landau-Verweyand-Overbeek (DLVO) interactions combining repulsive electrostatic and attractive van der Waals forces on the particle deposition process. The surface-enhanced Raman scattering (SERS) of 4,4′ -bipyridine (4bpy) in aqueous solution was measured using gold nanoparticles immobilized on silicon substrates under systematically-varied X-ray exposure. The substrates provided an in situ SERS spectrum for 1 nM 4bpy. This demonstration creates new opportunities for chemical and environmental analyses through simple SERS measurements. - Highlights: • Gold nanoparticles were produced by photochemical reaction of synchrotron radiation. • The gold nanoparticles grew and aggregated into the higher-order nanostructure. • The behavior is qualitatively explained by analytical estimation. • The surface-enhanced Raman spectroscopy of 4,4′-bipyridine (4bpy) was demonstrated. • The substrate fabricated in a suitable condition provides in situ SERS for 1 nM 4bpy.

Dynamics of very low energy photoelectrons interacting with image charge of Cs/Cu(111) surface

International Nuclear Information System (INIS)

Hayashi, K.; Arafune, R.; Ueda, S.; Uehara, Y.; Ushioda, S.

2005-01-01

We have measured the very low energy photoelectron spectra of Cs-covered Cu(111) surfaces, and determined the mechanism for the appearance of a spike structure due to the interaction of emitted electron with its image charge. At high Cs coverage of 0.10 and 0.14 monolayers (ML), the spike structure appeared at the vacuum level. No such structure was found at low coverage of 0.06 ML. The vacuum level at high coverage lies in the energy gap at the Γ point in the surface Brillouin zone of the Cu(111) surface, while it lies outside the energy gap at low coverage. These results confirm the validity of our proposed mechanism that the spike structure appears when the vacuum level lies in the energy gap

Voltammetry and Electrocatalysis of Achrornobacter Xylosoxidans Copper Nitrite Reductase on Functionalized Au(111)-Electrode Surfaces

DEFF Research Database (Denmark)

Welinder, Anna C.; Zhang, Jingdong; Hansen, Allan G.

2007-01-01

A long-standing issue in protein film voltammetry (PFV), particularly electrocatalytic voltammetry of redox enzyme monolayers, is the variability of protein adsorption modes, reflected in distributions of catalytic activity of the adsorbed protein/enzyme molecules. Use of well-defined, atomically...... planar electrode surfaces is a step towards the resolution of this central issue. We report here the voltammetry of copper nitrite reductase (CNiR, Achromobacter xylosoxidons) on Au(111)-electrode surfaces modified by monolayers of a broad variety of thiol-based linker molecules. These represent......NiR thus shows highly efficient, close to ideal reversible electrocatalytic voltammetry on cysteamine-covered Au(111)-electrode surfaces, most likely due to two cysteamine orientations previously disclosed by in situ scanning tunnelling microscopy. Such a dual orientation exposes both a hydrophobic...

Atomic nature of the Schottky barrier height formation of the Ag/GaAs(001)-2 × 4 interface: An in-situ synchrotron radiation photoemission study

International Nuclear Information System (INIS)

Cheng, Chiu-Ping; Chen, Wan-Sin; Lin, Keng-Yung; Wei, Guo-Jhen; Cheng, Yi-Ting; Lin, Yen-Hsun; Wan, Hsien-Wen; Pi, Tun-Wen; Tung, Raymond T.; Kwo, Jueinai; Hong, Minghwei

2017-01-01

Highlights: • The interaction of Ag on a p-type α2 GaAs(001)-2 × 4 surface has been studied. • The dipole formation mechanism of the Ag/GaAs(001)-2 × 4 interface is proposed. • Determination of the SBH prior to metal formation is found. • Inadequacy of the metal-induced gap-state model for explaining the SBH is evident. - Abstract: The Interface of Ag with p-type α2 GaAs(001)-2 × 4 has been studied to further understand the formation mechanism of the Schottky barrier height (SBH). In the initial phase of Ag deposition, high-resolution core-level data show that Ag adatoms effectively passivate the surface As-As dimers without breaking them apart. The Ag(+)-As(−) dipoles are thus generated with a maximal potential energy of 0.26 eV; a SBH of 0.38 eV was measured. Greater Ag coverage causes elemental segregation of As/Ga atoms, reversing the direction of the net dipole. The band bending effect near the interface shows a downward shift of 0.08 eV, and the final SBH is similar to the value as measured at the initial Ag deposition. Both parameters are secured at 0.25 Å of Ag thickness prior to the observation of metallic behavior of Ag. Inadequacy of the metal-induced gap-state model for explaining SBH is evident.

Atomic nature of the Schottky barrier height formation of the Ag/GaAs(001)-2 × 4 interface: An in-situ synchrotron radiation photoemission study

Energy Technology Data Exchange (ETDEWEB)

Cheng, Chiu-Ping, E-mail: cpcheng@mail.ncyu.edu.tw [Department of Electrophysics, National Chiayi University, Chiayi, 60004, Taiwan, ROC (China); Chen, Wan-Sin [Department of Electrophysics, National Chiayi University, Chiayi, 60004, Taiwan, ROC (China); National Synchrotron Radiation Research Center, Hsinchu, 30076, Taiwan, ROC (China); Lin, Keng-Yung [Graduate Institute of Applied Physics and Department of Physics, National Taiwan University, Taipei, 10617, Taiwan, ROC (China); Wei, Guo-Jhen; Cheng, Yi-Ting [Department of Electrophysics, National Chiayi University, Chiayi, 60004, Taiwan, ROC (China); Lin, Yen-Hsun; Wan, Hsien-Wen [Graduate Institute of Applied Physics and Department of Physics, National Taiwan University, Taipei, 10617, Taiwan, ROC (China); Pi, Tun-Wen, E-mail: pi@nsrrc.org.tw [National Synchrotron Radiation Research Center, Hsinchu, 30076, Taiwan, ROC (China); Tung, Raymond T. [Department of Physics, Brooklyn College, CUNY, NY 11210 (United States); Kwo, Jueinai, E-mail: raynien@phys.nthu.edu.tw [Department of Physics, National Tsing Hua University, Hsinchu, 30013, Taiwan, ROC (China); Hong, Minghwei, E-mail: mhong@phys.ntu.edu.tw [Graduate Institute of Applied Physics and Department of Physics, National Taiwan University, Taipei, 10617, Taiwan, ROC (China)

2017-01-30

Highlights: • The interaction of Ag on a p-type α2 GaAs(001)-2 × 4 surface has been studied. • The dipole formation mechanism of the Ag/GaAs(001)-2 × 4 interface is proposed. • Determination of the SBH prior to metal formation is found. • Inadequacy of the metal-induced gap-state model for explaining the SBH is evident. - Abstract: The Interface of Ag with p-type α2 GaAs(001)-2 × 4 has been studied to further understand the formation mechanism of the Schottky barrier height (SBH). In the initial phase of Ag deposition, high-resolution core-level data show that Ag adatoms effectively passivate the surface As-As dimers without breaking them apart. The Ag(+)-As(−) dipoles are thus generated with a maximal potential energy of 0.26 eV; a SBH of 0.38 eV was measured. Greater Ag coverage causes elemental segregation of As/Ga atoms, reversing the direction of the net dipole. The band bending effect near the interface shows a downward shift of 0.08 eV, and the final SBH is similar to the value as measured at the initial Ag deposition. Both parameters are secured at 0.25 Å of Ag thickness prior to the observation of metallic behavior of Ag. Inadequacy of the metal-induced gap-state model for explaining SBH is evident.

Unoccupied Surface State on Ag(110) as Revealed by Inverse Photoemission

Science.gov (United States)

Reihl, B.; Schlittler, R. R.; Neff, H.

1984-05-01

By use of the new technique of k-resolved inverse photoemission spectroscopy, an unoccupied s-like surface state on Ag(110) has been detected, which lies within the projected L2'-->L1 gap of the bulk. At the X¯ point of the surface Brillouin zone, the energy of the surface state is 1.65 eV above the Fermi level EF, and exhibits a band dispersion E(k∥) towards higher energies. The surface-state emission is immediately quenched when the surface is exposed to very small amounts of oxygen or hydrogen.

Surface structural, morphological, and catalytic studies of homogeneously dispersed anisotropic Ag nanostructures within mesoporous silica

Energy Technology Data Exchange (ETDEWEB)

Sareen, Shweta [Thapar University, School of Chemistry and Biochemistry (India); Mutreja, Vishal [Maharishi Markandeshwar University, Department of Chemistry (India); Pal, Bonamali; Singh, Satnam, E-mail: ssingh@thapar.edu [Thapar University, School of Chemistry and Biochemistry (India)

2016-11-15

Highly dispersed anisotropic Ag nanostructures were synthesized within the channels of 3-aminopropyltrimethoxysilane (APTMS)-modified mesoporous SBA-15 for catalyzing the reduction of p-dinitrobenzene, p-nitrophenol, and p-nitroacetophenone, respectively. A green templating process without involving any reducing agent, by varying the amount (1–10 wt.%) of Ag loading followed by calcination at 350 °C under H{sub 2} led to change in the morphology of Ag nanoparticles from nanospheres (~7–8 nm) to nanorods (aspect ratio ~12–30 nm) without any deformation in mesoporous sieves. In comparison to white bare SBA-15, gray-colored samples were formed with Ag impregnation exhibiting absorption bands at 484 and 840 nm indicating the formation of anisotropic Ag nanostructures within mesoporous matrix. TEM and FE-SEM micrographs confirmed the presence of evenly dispersed Ag nanostructures within as well as on the surface of mesoporous matrix. AFM studies indicated a small decrease in the average roughness of SBA-15 from 20.59 to 19.21 nm for 4 wt.% Ag/m-SBA-15, illustrating the encapsulation of majority of Ag nanoparticles in the siliceous matrix and presence of small amount of Ag nanoparticles on the mesoporous support. Moreover, due to plugging of mesopores with Ag, a significant decrease in surface area from 680 m{sup 2}/g of SBA-15 to 385 m{sup 2}/g was observed. The Ag-impregnated SBA-15 catalyst displayed superior catalytic activity than did bare SBA-15 with 4 wt.% Ag-loaded catalyst exhibiting optimum activity for selective reduction of p-nitrophenol to p-aminophenol (100 %), p-nitroacetophenone to p-aminoacetophenone (100 %), and p-dinitrobenzene to p-nitroaniline (87 %), with a small amount of p-phenylenediamine formation.

Surface-enhanced Raman spectroscopy substrate based on Ag-coated self-assembled polystyrene spheres

Science.gov (United States)

Mikac, Lara; Ivanda, Mile; Gotić, Marijan; Janicki, Vesna; Zorc, Hrvoje; Janči, Tibor; Vidaček, Sanja

2017-10-01

The silver (Ag) films were deposited on the monodispersed polystyrene spheres that were drop-coated on hydrophilic glass substrates in order to form a self-assembled 2D monolayer. Thus prepared Ag films over polystyrene nanospheres (AgFONs) were used to record the surface-enhanced Raman scattering (SERS) spectra of rhodamine 6G (R6G) and pyridine (λex = 514.5 nm). AgFONs were prepared by depositing 120, 180 and 240 nm thick Ag layer on the 1000 nm polystyrene spheres and 80, 120, 160 and 200 nm thick Ag layer on the 350 nm spheres as well as on their mixture (350 + 1000 nm). The silver was deposited by electron beam evaporation technique. The best enhancement of the Raman signal for both test molecules was obtained using 180 nm Ag film deposited on the 1000 nm spheres and using 80 nm Ag film deposited on the 350 nm polystyrene spheres. The lowest detectable concentrations of R6G and pyridine were 10-9 mol L-1 and 1.2 × 10-3 mol L-1, respectively. This study has shown that AgFONs could be regarded as good and reproducible SERS substrate for analytical detection of various organic molecules.

On the nature of citrate-derived surface species on Ag nanoparticles: Insights from X-ray photoelectron spectroscopy

Science.gov (United States)

Mikhlin, Yuri L.; Vorobyev, Sergey A.; Saikova, Svetlana V.; Vishnyakova, Elena A.; Romanchenko, Alexander S.; Zharkov, Sergey M.; Larichev, Yurii V.

2018-01-01

Citrate is an important stabilizing, reducing, and complexing reagent in the wet chemical synthesis of nanoparticles of silver and other metals, however, the exact nature of adsorbates, and its mechanism of action are still uncertain. Here, we applied X-ray photoelectron spectroscopy, soft X-ray absorption near-edge spectroscopy, and other techniques in order to determine the surface composition and to specify the citrate-related species at Ag nanoparticles immobilized from the dense hydrosol prepared using room-temperature reduction of aqueous Ag+ ions with ferrous ions and citrate as stabilizer (Carey Lea method). It was found that, contrary to the common view, the species adsorbed on the Ag nanoparticles are, in large part, products of citrate decomposition comprising an alcohol group and one or two carboxylate bound to the surface Ag, and minor unbound carboxylate group; these may also be mixtures of citrate with lower molecular weight anions. No ketone groups were specified, and very minor surface Ag(I) and Fe (mainly, ferric oxyhydroxides) species were detected. Moreover, the adsorbates were different at AgNPs having various size and shape. The relation between the capping and the particle growth, colloidal stability of the high-concentration sol and properties of AgNPs is briefly considered.

Lateral and vertical manipulations of single atoms on the Ag(1 1 1) surface with the copper single-atom and trimer-apex tips

International Nuclear Information System (INIS)

Xie Yiqun; Yang Tianxing; Ye Xiang; Huang Lei

2011-01-01

We study the lateral and vertical manipulations of single Ag and Cu atoms on the Ag(1 1 1) surface with the Cu single-atom and trimer-apex tips using molecular statics simulations. The reliability of the lateral manipulation with the Cu single-atom tip is investigated, and compared with that for the Ag tips. We find that overall the manipulation reliability (MR) increases with the decreasing tip height, and in a wide tip-height range the MR is better than those for both the Ag single-atom and trimer-apex tips. This is due to the stronger attractive force of the Cu tip and its better stability against the interactions with the Ag surface. With the Cu trimer-apex tip, the single Ag and Cu adatoms can be picked up from the flat Ag(1 1 1) surface, and moreover a reversible vertical manipulation of single Ag atoms on the stepped Ag(1 1 1) surface is possible, suggesting a method to modify two-dimensional Ag nanostructures on the Ag(1 1 1) surface with the Cu trimer-apex tip.

Self-assembly of phosphorylated dihydroceramide at Au(111) electrode surface

Energy Technology Data Exchange (ETDEWEB)

Pawłowski, Jan; Juhaniewicz, Joanna; Sęk, Sławomir, E-mail: slasek@chem.uw.edu.pl

2017-01-15

Although the adsorption of lipids on reconstructed Au(111) surface and formation of highly ordered stripe-like domains are well-known phenomena, the exact orientation of the molecules with respect to the substrate remains unclear. Therefore, in this study we have focused on the structure and arrangement of lipid molecules forming highly ordered stripe-like domains at gold electrode-electrolyte interface. N-palmitoyl-D-erythro-dihydroceramide-1-phosphate was selected as model compound since its ability to transform into hemimicellar structure is limited. This way it was possible to get very stable lipid film with characteristic stripe-like pattern. Application of complementary techniques such as atomic force microscopy and scanning tunneling microscopy enabled detailed characteristics of lipid adlayer adsorbed on Au(111) electrode. Based on careful analysis of the experimental results, we have proposed a model which describes the arrangement of the molecules within the film. In general, it assumes flat-lying orientation of the lipids but only one hydrocarbon chain of phosphorylated dihydroceramide is involved in direct interaction with gold. - Highlights: • STM and AFM methods were used to examine adsorption of model lipid on Au(111). • Self-assembly of model lipid leads to formation of highly organized molecular film. • The model is proposed which reproduces the STM contrast.

Improved surface quality of anisotropically etched silicon {111} planes for mm-scale optics

International Nuclear Information System (INIS)

Cotter, J P; Hinds, E A; Zeimpekis, I; Kraft, M

2013-01-01

We have studied the surface quality of millimetre-scale optical mirrors produced by etching CZ and FZ silicon wafers in potassium hydroxide to expose the {111} planes. We find that the FZ surfaces have four times lower noise power at spatial frequencies up to 500 mm −1 . We conclude that mirrors made using FZ wafers have higher optical quality. (technical note)

He atom-surface scattering: Surface dynamics of insulators, overlayers and crystal growth

International Nuclear Information System (INIS)

Safron, S.A.; Skofronick, J.G.

1994-01-01

This progress report describes work carried out in the study of surface structure and dynamics of ionic insulators, the microscopic interactions controlling epitaxial growth and the formation of overlayers, and energy exchange in multiphonon surface scattering. The approach used is to employ high resolution helium atom scattering to study the geometry and structural features of the surfaces. Experiments have been carried out on the surface dynamics of RbCl and preliminary studies done on CoO and NiO. Epitaxial growth and overlayer dynamics experiments on the systems NaCl/NaCl(001), KBr/NaCl(001), NaCl/KBr(001) and KBr/RbCl(001) have been performed. They have collaborated with two theoretical groups to explore models of overlayer dynamics with which to compare and to interpret their experimental results. They have carried out extensive experiments on the multiphonon scattering of helium atoms from NaCl and, particularly, LiF. Work has begun on self-assembling organic films on gold and silver surfaces (alkyl thiols/Au(111) and Ag(111))

Behavior of Ag nanoparticles in soil: Effects of particle surface coating, aging and sewage sludge amendment

International Nuclear Information System (INIS)

Whitley, Annie R.; Levard, Clément; Oostveen, Emily; Bertsch, Paul M.; Matocha, Chris J.; Kammer, Frank von der; Unrine, Jason M.

2013-01-01

This study addressed the relative importance of particle coating, sewage sludge amendment, and aging on aggregation and dissolution of manufactured Ag nanoparticles (Ag MNPs) in soil pore water. Ag MNPs with citrate (CIT) or polyvinylpyrrolidone (PVP) coatings were incubated with soil or municipal sewage sludge which was then amended to soil (1% or 3% sludge (w/w)). Pore waters were extracted after 1 week and 2 and 6 months and analyzed for chemical speciation, aggregation state and dissolution. Ag MNP coating had profound effects on aggregation state and partitioning to pore water in the absence of sewage sludge, but pre-incubation with sewage sludge negated these effects. This suggests that Ag MNP coating does not need to be taken into account to understand fate of AgMNPs applied to soil through biosolids amendment. Aging of soil also had profound effects that depended on Ag MNP coating and sludge amendment. -- Highlights: •Silver nanoparticle coating affects fate in unamended soils. •Citrated coated silver nanoparticles could be found in pore water for up to six months. •Pre-incubation of silver nanoparticles in sewage sludge negated effects of surface coating. •Weathered or reprecipitated particles found in pore water for up to two months in sludge amended soils. •Particle surface coating, sewage sludge amendment and aging all have important impacts. -- Behavior of manufactured silver nanoparticles in soil depends on surface coating, contact with sewage sludge, and aging

Advanced surface characterization of silver nanocluster segregation in Ag-TiCN bioactive coatings by RBS, GDOES, and ARXPS.

Science.gov (United States)

Escobar Galindo, R; Manninen, N K; Palacio, C; Carvalho, S

2013-07-01

Surface modification by means of wear protective and antibacterial coatings represents, nowadays, a crucial challenge in the biomaterials field in order to enhance the lifetime of bio-devices. It is possible to tailor the properties of the material by using an appropriate combination of high wear resistance (e.g., nitride or carbide coatings) and biocide agents (e.g., noble metals as silver) to fulfill its final application. This behavior is controlled at last by the outmost surface of the coating. Therefore, the analytical characterization of these new materials requires high-resolution analytical techniques able to provide information about surface and depth composition down to the nanometric level. Among these techniques are Rutherford backscattering spectrometry (RBS), glow discharge optical emission spectroscopy (GDOES), and angle resolved X-ray photoelectron spectroscopy (ARXPS). In this work, we present a comparative RBS-GDOES-ARXPS study of the surface characterization of Ag-TiCN coatings with Ag/Ti atomic ratios varying from 0 to 1.49, deposited at room temperature and 200 °C. RBS analysis allowed a precise quantification of the silver content along the coating with a non-uniform Ag depth distribution for the samples with higher Ag content. GDOES surface profiling revealed that the samples with higher Ag content as well as the samples deposited at 200 °C showed an ultrathin (1-10 nm) Ag-rich layer on the coating surface followed by a silver depletion zone (20-30 nm), being the thickness of both layers enhanced with Ag content and deposition temperature. ARXPS analysis confirmed these observations after applying general algorithm involving regularization in addition to singular value decomposition techniques to obtain the concentration depth profiles. Finally, ARXPS measurements were used to provide further information on the surface morphology of the samples obtaining an excellent agreement with SEM observations when a growth model of silver islands with

Nondestructive analysis of silver in gold foil using synchrotron radiation X-ray fluorescence spectrometry

International Nuclear Information System (INIS)

Kasamatsu, Masaaki; Suzuki, Yasuhiro; Suzuki, Shinichi; Nakanishi, Toshio; Shimoda, Osamu; Nishiwaki, Yoshinori; Miyamoto, Naoki

2005-01-01

Small particles of gold foil detached from an indoor decoration might be important evidence to associate a suspect with a crime scene. We have investigated the application of elemental analysis using synchrotron radiation X-ray fluorescence spectrometry to discriminate small particles of gold foil. Eight kinds of gold foil samples collected in Japan were used in the experiments. As a result of synchrotron radiation X-ray fluorescence spectrometry, only two elements, gold and silver, were detected from all gold foil samples. The intensity ratios of AgK α /AuL α showed good correlation with the content ratios of Ag/Au. The variation of intensity ratio within a same sample was sufficiently small compared with those of different samples. Therefore the comparison of this intensity ratio can be an effective method to discriminate small particles originating from different types of gold foil. (author)

Evolution of magnetism of Cr nanoclusters on a Au(111) surface

Science.gov (United States)

Gotsis, Harry; Kioussis, Nicholas; Papaconstantopoulos, Dimitri

2004-03-01

Advances in low-temperature scanning tunneling microscopy under ultrahigh vacuum have provided new opportunities for investigating the magnetic structures of nanoclusters adsorbed on surfaces. Recent STM studies of Cr trimers on the Au(111) surface suggest a switching between two distinct electronic states. We have carried out ab initio electronic structure calculations to investigate the structural, electronic and magnetic properties of isolated Cr atoms, Cr dimers and trimers in different geometry. We will present results for the evolution of magnetic behavior including noncollinear magnetism and provide insight in the connection between magnetism and geometry.

Sensitive determination of dopamine levels via surface-enhanced Raman scattering of Ag nanoparticle dimers.

Science.gov (United States)

Yu, Xiantong; He, XiaoXiao; Yang, Taiqun; Zhao, Litao; Chen, Qichen; Zhang, Sanjun; Chen, Jinquan; Xu, Jianhua

2018-01-01

Dopamine (DA) is an important neurotransmitter in the hypothalamus and pituitary gland, which can produce a direct influence on mammals' emotions in midbrain. Additionally, the level of DA is highly related with some important neurologic diseases such as schizophrenia, Parkinson, and Huntington's diseases, etc. In light of the important roles that DA plays in the disease modulation, it is of considerable significance to develop a sensitive and reproducible approach for monitoring DA. The objective of this study was to develop an efficient approach to quantitatively monitor the level of DA using Ag nanoparticle (NP) dimers and enhanced Raman spectroscopy. Ag NP dimers were synthesized for the sensitive detection of DA via surface-enhanced Raman scattering (SERS). Citrate was used as both the capping agent of NPs and sensing agent to DA, which is self-assembled on the surface of Ag NP dimers by reacting with the surface carboxyl group to form a stable amide bond. To improve accuracy and precision, the multiplicative effects model for surface-enhanced Raman spectroscopy was utilized to analyze the SERS assays. A low limits of detection (LOD) of 20 pM and a wide linear response range from 30 pM to 300 nM were obtained for DA quantitative detection. The SERS enhancement factor was theoretically valued at approximately 10 7 by discrete dipole approximation. DA was self-assembled on the citrate capped surface of Ag NPs dimers through the amide bond. The adsorption energy was estimated to be 256 KJ/mol using the Langmuir isotherm model. The density functional theory was used to simulate the spectral characteristics of SERS during the adsorption of DA on the surface of the Ag dimers. Furthermore, to improve the accuracy and precision of quantitative analysis of SERS assays with a multiplicative effects model for surface-enhanced Raman spectroscopy. A LOD of 20 pM DA-level was obtained, and the linear response ranged from 30 pM to 300 nM for quantitative DA detection. The

Synthesis, morphological control, and antibacterial properties of hollow/solid Ag2S/Ag heterodimers

KAUST Repository

Pang, Maolin

2010-08-11

Ag2S and Ag are important functional materials that have received considerable research interest in recent years. In this work, we develop a solution-based synthetic method to combine these two materials into hollow/solid Ag2S/Ag heterodimers at room temperature. Starting from monodisperse Cu2O solid spheres, CuS hollow spheres can be converted from Cu2O through a modified Kirkendall process, and the obtained CuS can then be used as a solid precursor for preparation of the Ag2S/Ag heterodimers through ion exchange and photo-assisted reduction. We have found that formation of the Ag2S/Ag heterodimers is instantaneous, and the size of Ag nanocrystals on the hollow spheres of Ag2S can be controlled by changing the concentration and power of reducing agents in the synthesis. The growth of Ag nanoparticles on hollow spheres of Ag2S in the dimers is along the [111] direction of the silver crystal; the light absorption properties have also been investigated. Furthermore, coupling or tripling of Ag2S/Ag heterodimers into dumbbell-like trimers ((Ag 2S)2/Ag, linear) and triangular tetramers ((Ag 2S)3/Ag, coplanar) can also be attained at 60°C by adding the bidentate ligand ethylenediamine as a cross-linking agent. To test the applicability of this highly asymmetric dipolar composite, photocatalytic inactivation of Escherichia coli K-12 in the presence of the as-prepared Ag 2S/Ag heterodimers has been carried out under UV irradiation. The added Ag2S/Ag heterodimers show good chemical stability under prolonged UV irradiation, and no appreciable solid dissolution is found. Possible mechanisms regarding the enhanced antibacterial activity have also been addressed. © 2010 American Chemical Society.

Synthesis of surface plasmon resonance (SPR) triggered Ag/TiO2 photocatalyst for degradation of endocrine disturbing compounds

International Nuclear Information System (INIS)

Leong, Kah Hon; Gan, Bee Ling; Ibrahim, Shaliza; Saravanan, Pichiah

2014-01-01

Graphical abstract: - Highlights: • Ag/TiO 2 was synthesized with aid of natural photon stimulated photoreduction. • Deposited Ag prompted well the LSPRs, Schottky barrier for visible light utilization. • Photocatalytic activity was evaluated by degrading EDCs under visible light. • 3.0 wt% Ag/TiO 2 resulted with good photocatalytic efficiency over others. - Abstract: Surface deposition of silver nanoparticles (Ag NPs) onto the 100% anatase titania (Ag/TiO 2 ) for evolution of surface plasmon resonance (SPR) was achieved sustainably with the assistance of solar energy. The preparation resulted in Ag/TiO 2 photocatalyst with varied Ag depositions (0.5 wt%, 1.0 wt%, 3.0 wt% and 5.0 wt%). All obtained photocatalysts were characterized for the evolution of SPR via crystalline phase analysis, morphology, lattice fringes, surface area and pore size characteristics, chemical composition with chemical and electronic state, Raman scattering, optical and photoluminescence properties. The deposition of synthesized Ag NPs exhibited high uniformity and homogeneity and laid pathway for effective utilization of the visible region of electromagnetic spectrum through SPR. The depositions also lead for suppressing recombination rates of electron–hole. The photocatalytic evaluation was carried out by adopting two different class of endocrine disturbing compound (EDC) i.e., amoxicillin (pharmaceutical) and 2,4-dichlorophenol (pesticide) excited with artificial visible light source. Ag/TiO 2 with Ag > 0.5 wt% exhibited significant degradation efficiency for both amoxicillin and 2,4-dichlorophenol. Thus synthesized Ag/TiO 2 revealed the implication of plasmonics on TiO 2 for the enhanced visible light photocatalytic activity

Processes of adsorption/desorption of iodides and cadmium cations onto/from Ag(111

Directory of Open Access Journals (Sweden)

VLADIMIR D. JOVIĆ

2011-02-01

Full Text Available In this work, the adsorption/desorption processes of iodides and cadmium cations in the presence of iodides onto/from Ag(111 were investigated. It was shown that both processes were complex, characterized by several peaks on the cyclic voltammograms (CVs. By PeakFit analysis of the recorded CVs and subsequent fitting of the obtained peaks by the Frumkin adsorption isotherm, the interaction parameter (f and the Gibbs energy of adsorption (DGads for each adsorbed phase were determined. In the case of iodide adsorption, four peaks were characterized by negative values of f, indicating attractive lateral interaction between the adsorbed anions, while two of them possessed value of f < –4, indicating phase transition processes. The adsorption/desorption processes of cadmium cations (underpotential deposition – UPD of cadmium in the presence of iodide anions was characterized by two main peaks, each of them being composed of two or three peaks with negative values of f. By the analysis of charge vs. potential dependences obtained either from the CVs or current transients on potentiostatic pulses, it was concluded that adsorbed iodides did not undergo desorption during the process of Cd UPD, but became replaced by Cd ad-atoms and remained adsorbed on top of a Cd layer and/or in between Cd the ad-atoms.

In situ study of nitrobenzene grafting on Si(111)-H surfaces by infrared spectroscopic ellipsometry

Energy Technology Data Exchange (ETDEWEB)

Rappich, J. [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Institut fuer Silizium-Photovoltaik, Kekulestr. 5, 12489 Berlin (Germany); Hinrichs, K. [ISAS - Institute for Analytical Sciences, Department Berlin, Albert-Einstein-Str. 9, 12489 Berlin (Germany)

2009-12-15

The binding of nitrobenzene (NB) molecules from a solution of 4-nitrobenzene-diazonium-tetrafluoroborate on a Si(111)-H surface was investigated during the electrochemical processing in diluted sulphuric acid by means of infrared spectroscopic ellipsometry (IR-SE). The grafting was monitored by an increase in specific IR absorption bands due to symmetric and anti-symmetric NO{sub 2} stretching vibrations in the 1400-1700 cm{sup -1} regime. The p- and s-polarized reflectances were recorded within 20 s for each spectrum only. NB molecules were detected when bonded to the Si(111) surface but not in the 2 mM solution itself. Oxide formation on the NB grafted Si surface was observed after drying in inert atmosphere and not during the grafting process in the aqueous solution. (author)

Surface topographical and structural analysis of Ag+-implanted polymethylmethacrylate

International Nuclear Information System (INIS)

Arif, Shafaq; Rafique, M. Shahid; Saleemi, Farhat; Naab, Fabian; Toader, Ovidiu; Sagheer, Riffat; Bashir, Shazia; Zia, Rehana; Siraj, Khurram; Iqbal, Saman

2016-01-01

Specimens of polymethylmethacrylate (PMMA) were implanted with 400-keV Ag + ions at different ion fluences ranging from 1 × 10 14 to 5 × 10 15 ions/cm 2 using a 400-kV NEC ion implanter. The surface topographical features of the implanted PMMA were investigated by a confocal microscope. Modifications in the structural properties of the implanted specimens were analyzed in comparison with pristine PMMA by X-ray diffraction (XRD) and Raman spectroscopy. UV–Visible spectroscopy was applied to determine the effects of ion implantation on optical transmittance of the implanted PMMA. The confocal microscopic images revealed the formation of hillock-like microstructures along the ion track on the implanted PMMA surface. The increase in ion fluence led to more nucleation of hillocks. The XRD pattern confirmed the amorphous nature of pristine and implanted PMMA, while the Raman studies justified the transformation of Ag + -implanted PMMA into amorphous carbon at the ion fluence of ⩾5 × 10 14 ions/cm 2 . Moreover, the decrease in optical transmittance of PMMA is associated with the formation of hillocks and ion-induced structural modifications after implantation.

Defect-induced wetting on BaF 2(111) and CaF 2(111) at ambient conditions

Science.gov (United States)

Cardellach, M.; Verdaguer, A.; Fraxedas, J.

2011-12-01

The interaction of water with freshly cleaved (111) surfaces of isostructural BaF2 and CaF2 single crystals at ambient conditions (room temperature and under controlled humidity) has been studied using scanning force microscopy in different operation modes and optical microscopy. Such surfaces exhibit contrasting behaviors for both materials: while on BaF2(111) two-dimensional water layers are formed after accumulation at step edges, CaF2(111) does not promote the formation of such layers. We attribute such opposed behavior to lattice match (mismatch) between hexagonal water ice and the hexagonal (111) surfaces of BaF2(CaF2). Optical microscope images reveal that this behavior also determines the way the surfaces become wetted at a macroscopic level.

Antiferroelectric surface layers in a liquid crystal as observed by synchrotron x-ray scattering

DEFF Research Database (Denmark)

Gramsbergen, E. F.; de Jeu, W. H.; Als-Nielsen, Jens Aage

1986-01-01

The X-ray reflectivity form the surface of a liquid crystal with terminally polar (cyano substituted) molecules has been studied using a high-resolution triple-axis X-ray spectrometer in combination with a synchrotron source. It is demonstrated that at the surface of the smectic Al phase a few...... antiferroelectric double layers develop that can be distinguished from the bulk single layer structure. A model is developed that separates the electron density in a contribution from the molecular form factor, and from the structure factor of the mono- and the bilayers, respectively. It shows that (i) the first...

High-performance flexible surface-enhanced Raman scattering substrates fabricated by depositing Ag nanoislands on the dragonfly wing

Science.gov (United States)

Wang, Yuhong; Wang, Mingli; Shen, Lin; Sun, Xin; Shi, Guochao; Ma, Wanli; Yan, Xiaoya

2018-04-01

Natural dragonfly wing (DW), as a template, was deposited on noble metal sliver (Ag) nanoislands by magnetron sputtering to fabricate a flexible, low-cost, large-scale and environment-friendly surface-enhanced Raman scattering (SERS) substrate (Ag/DW substrate). Generally, materials with regular surface nanostructures are chosen for the templates, the selection of our new material with irregular surface nanostructures for substrates provides a new idea for the preparation of high-performance SERS-active substrates and many biomimetic materials. The optimum sputtering time of metal Ag was also investigated at which the prepared SERS-active substrates revealed remarkable SERS activities to 4-aminothiophenol (4-ATP) and crystal violet (CV). Even more surprisingly, the Ag/DW substrate with such an irregular template had reached the enhancement factor (EF) of ∼1.05 × 105 and the detection limit of 10-10 M to 4-ATP. The 3D finite-different time-domain (3D-FDTD) simulation illustrated that the "hot spots" between neighbouring Ag nanoislands at the top of pillars played a most important role in generating electromagnetic (EM) enhancement and strengthening Raman signals.

Hard synchrotron radiation scattering from a nonideal surface grating from multilayer X-ray mirrors

International Nuclear Information System (INIS)

Punegov, V.I.; Nesterets, Ya.I.; Mytnichenko, S.V.; Kovalenko, N.V.; Chernov, V.A.

2003-01-01

The hard synchrotron radiation scattering from a multilayer surface grating is theoretically and experimentally investigated. The numerical calculations of angular distribution of scattering intensity from X-ray mirror Ni/C are executed with use of recurrence formulae and statistical dynamical theory of diffraction. It is shown, that the essential role in formation of a diffraction pattern plays a diffuse scattering caused by structure imperfection of a multilayer grating [ru

Synchrotron and Simulations Techniques Applied to Problems in Materials Science: Catalysts and Azul Maya Pigments

International Nuclear Information System (INIS)

Chianelli, R.

2005-01-01

Development of synchrotron techniques for the determination of the structure of disordered, amorphous and surface materials has exploded over the past twenty years due to the increasing availability of high flux synchrotron radiation and the continuing development of increasingly powerful synchrotron techniques. These techniques are available to materials scientists who are not necessarily synchrotron scientists through interaction with effective user communities that exist at synchrotrons such as the Stanford Synchrotron Radiation Laboratory (SSRL). In this article we review the application of multiple synchrotron characterization techniques to two classes of materials defined as ''surface compounds.'' One class of surface compounds are materials like MoS 2-x C x that are widely used petroleum catalysts used to improve the environmental properties of transportation fuels. These compounds may be viewed as ''sulfide supported carbides'' in their catalytically active states. The second class of ''surface compounds'' is the ''Maya Blue'' pigments that are based on technology created by the ancient Maya. These compounds are organic/inorganic ''surface complexes'' consisting of the dye indigo and palygorskite, a common clay. The identification of both surface compounds relies on the application of synchrotron techniques as described in this report

Facile Synthesis of Gold-Silver Nanocages with Controllable Pores on the Surface

OpenAIRE

Chen, Jingyi; McLellan, Joseph M.; Siekkinen, Andrew; Xiong, Yujie; Li, Zhi-Yuan; Xia, Younan

2006-01-01

Gold-silver alloy nanocages with controllable pores on the surface have been synthesized via galvanic replacement reaction between truncated Ag nanocubes and aqueous HAuCl4. Unlike the previous studies, the initiation of replacement reaction started in a controllable way, simultaneously from eight corners of the truncated Ag nanocubes where {111} facets were exposed. The formation of cubic nanocages with pores at all the corners was determined by the capping agent, poly(vinyl pyrrolidone) (PV...