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Sample records for au cluster properties

  1. Cosensitization Properties of Glutathione-Protected Au25 Cluster on Ruthenium Dye-Sensitized TiO2 Photoelectrode

    Directory of Open Access Journals (Sweden)

    Kazuya Nakata

    2013-01-01

    Full Text Available Cosensitization by glutathione-protected Au25 clusters on Ru complex, N719-sensitized TiO2 photoelectrodes is demonstrated. Glutathione-protected Au25 clusters showed no significant changes in properties after adsorption onto TiO2 particles, as confirmed by optical absorption spectroscopy, transmission electron microscopy, and laser desorption/ionization mass spectrometry. Adsorption property of the glutathione-protected Au25 clusters depends on the pH, which affects the incident photon-to-current conversion efficiency (IPCE of the TiO2 photoelectrode containing Au25 clusters. When pH 7. The IPCE of a TiO2 photoelectrode sensitized by both glutathione-protected Au25 clusters and N719 was increased compared with photoelectrodes containing either glutathione-protected Au25 clusters or N719, which suggests that glutathione-protected Au25 clusters act as a coadsorbent for N719 on TiO2 photoelectrodes. This is also supported by the results that the IPCE of N719-sensitized TiO2 photoelectrodes increased upon addition of glutathione. Furthermore, cosensitization by glutathione-protected Au25 clusters on N719-sensitized TiO2 photoelectrodes allows that wavelength of photoelectric conversion was extended to the near infrared (NIR region. These results suggest that glutathione-protected Au25 clusters act not only as a coadsorbent to increase IPCE but also as an NIR-active sensitizer.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-11-01

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

  3. Cluster-to-cluster transformation among Au6, Au8 and Au11 nanoclusters.

    Science.gov (United States)

    Ren, Xiuqing; Fu, Junhong; Lin, Xinzhang; Fu, Xuemei; Yan, Jinghui; Wu, Ren'an; Liu, Chao; Huang, Jiahui

    2018-05-22

    We present the cluster-to-cluster transformations among three gold nanoclusters, [Au6(dppp)4]2+ (Au6), [Au8(dppp)4Cl2]2+ (Au8) and [Au11(dppp)5]3+ (Au11). The conversion process follows a rule that states that the transformation of a small cluster to a large cluster is achieved through an oxidation process with an oxidizing agent (H2O2) or with heating, while the conversion of a large cluster to a small one occurs through a reduction process with a reducing agent (NaBH4). All the reactions were monitored using UV-Vis spectroscopy and ESI-MS. This work may provide an alternative approach to the synthesis of novel gold nanoclusters and a further understanding of the structural transformation relationship of gold nanoclusters.

  4. Geometric, stability, and electronic properties of gold-doped Pd clusters (Pd{sub n}Au, n = 3~20)

    Energy Technology Data Exchange (ETDEWEB)

    Huan, Hao; Chen, Yan; Wang, Tao; Ye, Xiang, E-mail: yexiang@shnu.edu.cn [Shanghai Normal University, Department of Physics (China); Gu, Xiao, E-mail: gx@cqu.edu.cn [Chongqing University, Department of Applied Physics (China)

    2016-11-15

    The structure, stability, and electronic properties of Pd{sub n}Au (n = 3~20) clusters are studied by density functional theory. The results show that the clusters studied here prefer three-dimensional structures even with very small atom number. It is found that the binding energies of Pd{sub n}Au clusters are higher than the corresponding pure Pd{sub n} clusters with the same atom number. Most Pd{sub n}Au clusters studied here are magnetic with magnetic moments ranging from 1.0 to 7.0 μ{sub B.} The dissociation energies of Pd atoms are lower than the doped gold atom, that is the doped Au atom will increase the mother clusters stability and activity.

  5. A density functional theory study on structures, stabilities, and electronic and magnetic properties of Au{sub n}C (n = 1–9) clusters

    Energy Technology Data Exchange (ETDEWEB)

    Hou, Xiao-Fei; Yan, Li-Li; Huang, Teng; Hong, Yu; Miao, Shou-Kui [Laboratory of Atmospheric Physico-Chemistry, Anhui Institute of Optics & Fine Mechanics, Chinese Academy of Sciences, Hefei, Anhui 230031 (China); Peng, Xiu-Qiu [School of Environmental Science & Optoelectronic Technology, University of Science and Technology of China, Hefei, Anhui 230026 (China); Liu, Yi-Rong, E-mail: liuyirong@aiofm.ac.cn [Laboratory of Atmospheric Physico-Chemistry, Anhui Institute of Optics & Fine Mechanics, Chinese Academy of Sciences, Hefei, Anhui 230031 (China); Huang, Wei, E-mail: huangwei6@ustc.edu.cn [Laboratory of Atmospheric Physico-Chemistry, Anhui Institute of Optics & Fine Mechanics, Chinese Academy of Sciences, Hefei, Anhui 230031 (China); School of Environmental Science & Optoelectronic Technology, University of Science and Technology of China, Hefei, Anhui 230026 (China)

    2016-06-15

    The equilibrium geometric structures, relative stabilities, electronic stabilities, and electronic and magnetic properties of the Au{sub n}C and Au{sub n+1} (n = 1–9) clusters are systematically investigated using density functional theory (DFT) with hyper-generalized gradient approximation (GGA). The optimized geometries show that one Au atom added to the Au{sub n−1}C cluster is the dominant growth pattern for the Au{sub n}C clusters. In contrast to the pure gold clusters, the Au{sub n}C clusters are most stable in a quasi-planar or three-dimensional (3D) structure because the C dopant induces the local non-planarity, with exceptions of the Au{sub 6,8}C clusters who have 2D structures. The analysis of the relative and electronic stabilities reveals that the Au{sub 4}C and Au{sub 6} clusters are the most stable in the series of studied clusters, respectively. In addition, a natural bond orbital (NBO) analysis shows that the charges in the Au{sub n}C clusters transfer from the Au{sub n} host to the C atom. Moreover, the Au and C atoms interact with each other mostly via covalent bond rather than ionic bond, which can be confirmed through the average ionic character of the Au–C bond. Meanwhile, the charges mainly transfer between 2s and 2p orbitals within the C atom, and among 5d, 6s, and 6p orbitals within the Au atom for the Au{sub n}C clusters. As for the magnetic properties of the Au{sub n}C clusters, the total magnetic moments are 1 μ{sub B} for n = odd clusters, with the total magnetic moments mainly locating on the C atoms for Au{sub 1,3,9}C and on the Au{sub n} host for Au{sub 5,7}C clusters. However, the total magnetic moments of the Au{sub n}C clusters are zero for n = even clusters. Simultaneously, the magnetic moments mainly locate on the 2p orbital within the C atom and on the 5d, 6s orbitals within the Au atom.

  6. The effect of CNTs on structures and catalytic properties of AuPd clusters for H2O2 synthesis.

    Science.gov (United States)

    Yang, Hua-feng; Xie, Peng-yang; Yu, Hui-you; Li, Xiao-nian; Wang, Jian-guo

    2012-12-28

    The structures and catalytic properties of AuPd clusters supported on carbon nanotubes (CNTs) for H(2)O(2) synthesis have been investigated by means of density functional theory calculations. Firstly, the structures of AuPd clusters are strongly influenced by CNTs, in which the bottom layers are mainly composed of Pd and the top layers are a mix of Au and Pd due to the stronger binding of Pd than Au on CNTs. Especially, it is found that O(2) adsorption on the Pd/CNTs interfacial sites is much weaker than that on the only Pd sites, which is in contrast to transition metal oxide (for example TiO(2), Al(2)O(3), CeO(2)) supported metal clusters. Furthermore, Pd ensembles on the interfacial sites have far superior catalytic properties for H(2)O(2) formation than those away from CNT supports due to the changes in electronic structures caused by the CNTs. Therefore, our study provides a physical insight into the enhanced role of carbon supports in H(2)O(2) synthesis over supported AuPd catalysts.

  7. Electronic structure and optical properties of the thiolate-protected Au28(SMe)20 cluster.

    Science.gov (United States)

    Knoppe, Stefan; Malola, Sami; Lehtovaara, Lauri; Bürgi, Thomas; Häkkinen, Hannu

    2013-10-10

    The recently reported crystal structure of the Au28(TBBT)20 cluster (TBBT: p-tert-butylbenzenethiolate) is analyzed with (time-dependent) density functional theory (TD-DFT). Bader charge analysis reveals a novel trimeric Au3(SR)4 binding motif. The cluster can be formulated as Au14(Au2(SR)3)4(Au3(SR)4)2. The electronic structure of the Au14(6+) core and the ligand-protected cluster were analyzed, and their stability can be explained by formation of distorted eight-electron superatoms. Optical absorption and circular dichroism (CD) spectra were calculated and compared to the experiment. Assignment of handedness of the intrinsically chiral cluster is possible.

  8. Photoabsorption spectra of (Mo/W)@Au12Si60 clusters from time-dependent DFT calculations

    KAUST Repository

    Mokkath, Junais Habeeb

    2013-11-14

    The electronic structure and photoabsorption spectrum of encapsulated (Mo/W)@Au12Si60 clusters are theoretically investigated via static and time-dependent density functional theory. The photoabsorption spectrum is calculated both at the scalar relativistic and spin-orbit coupling levels. The encapsulated (Mo/W)@Au12 clusters interact with the Si and thus stabilize the Si60 cage. The spin-orbit coupling strongly affects the optical properties of (Mo/W)@Au12 clusters as it leads to a splitting of spectral lines together with an intensity redistribution, whereas the spectra of (Mo/W)@Au12Si60 clusters show hardly any difference. The nanoscale properties thus can be tuned by choosing the endohedral metal atom, while keeping the optical properties unaffected. © 2013 American Chemical Society.

  9. Photoabsorption spectra of (Mo/W)@Au12Si60 clusters from time-dependent DFT calculations

    KAUST Repository

    Mokkath, Junais Habeeb; Schwingenschlö gl, Udo

    2013-01-01

    The electronic structure and photoabsorption spectrum of encapsulated (Mo/W)@Au12Si60 clusters are theoretically investigated via static and time-dependent density functional theory. The photoabsorption spectrum is calculated both at the scalar relativistic and spin-orbit coupling levels. The encapsulated (Mo/W)@Au12 clusters interact with the Si and thus stabilize the Si60 cage. The spin-orbit coupling strongly affects the optical properties of (Mo/W)@Au12 clusters as it leads to a splitting of spectral lines together with an intensity redistribution, whereas the spectra of (Mo/W)@Au12Si60 clusters show hardly any difference. The nanoscale properties thus can be tuned by choosing the endohedral metal atom, while keeping the optical properties unaffected. © 2013 American Chemical Society.

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

    Science.gov (United States)

    Lemke, Kono H

    2014-05-07

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

  11. Structure and Mobility of Metal Clusters in MOFs: Au, Pd, and AuPd Clusters in MOF-74

    DEFF Research Database (Denmark)

    Vilhelmsen, Lasse; Walton, Krista S.; Sholl, David S.

    2012-01-01

    is just as important for nanocluster adsorption as open Zn or Mg metal sites. Using the large number of clusters generated by the GA, we developed a systematic method for predicting the mobility of adsorbed clusters. Through the investigation of diffusion paths a relationship between the cluster......Understanding the adsorption and mobility of metal–organic framework (MOF)-supported metal nanoclusters is critical to the development of these catalytic materials. We present the first theoretical investigation of Au-, Pd-, and AuPd-supported clusters in a MOF, namely MOF-74. We combine density...... functional theory (DFT) calculations with a genetic algorithm (GA) to reliably predict the structure of the adsorbed clusters. This approach allows comparison of hundreds of adsorbed configurations for each cluster. From the investigation of Au8, Pd8, and Au4Pd4 we find that the organic part of the MOF...

  12. Computational study of AuSi{sub n} (n=1-9) nanoalloy clusters invoking DFT based descriptors

    Energy Technology Data Exchange (ETDEWEB)

    Ranjan, Prabhat; Kumar, Ajay [Department of Mechatronics, Manipal University Jaipur Dehmi Kalan, Jaipur-303007 (India); Chakraborty, Tanmoy, E-mail: tanmoy.chakraborty@jaipur.manipal.edu, E-mail: tanmoychem@gmail.com [Department of Chemistry, Manipal University Jaipur Dehmi Kalan, Jaipur-303007 (India)

    2016-04-13

    Nanoalloy clusters formed between Au and Si are topics of great interest today from both scientific and technological point of view. Due to its remarkable catalytic, electronic, mechanical and magnetic properties Au-Si nanoalloy clusters have extensive applications in the field of microelectronics, catalysis, biomedicine, and jewelry industry. Density Functional Theory (DFT) is a new paradigm of quantum mechanics, which is very much popular to study the electronic properties of materials. Conceptual DFT based descriptors have been invoked to correlate the experimental properties of nanoalloy clusters. In this venture, we have systematically investigated AuSi{sub n} (n=1-9) nanoalloy clusters in the theoretical frame of the B3LYP exchange correlation. The experimental properties of AuSi{sub n} (n=1-9) nanoalloy clusters are correlated in terms of DFT based descriptors viz. HOMO-LUMO gap, Electronegativity (χ), Global Hardness (η), Global Softness (S) and Electrophilicity Index (ω). The calculated HOMO-LUMO gap exhibits interesting odd-even alteration behaviour, indicating that even numbered clusters possess higher stability as compare to their neighbour odd numbered clusters. This study also reflects a very well agreement between experimental bond length and computed data.

  13. Stabilizing ultrasmall Au clusters for enhanced photoredox catalysis.

    Science.gov (United States)

    Weng, Bo; Lu, Kang-Qiang; Tang, Zichao; Chen, Hao Ming; Xu, Yi-Jun

    2018-04-18

    Recently, loading ligand-protected gold (Au) clusters as visible light photosensitizers onto various supports for photoredox catalysis has attracted considerable attention. However, the efficient control of long-term photostability of Au clusters on the metal-support interface remains challenging. Herein, we report a simple and efficient method for enhancing the photostability of glutathione-protected Au clusters (Au GSH clusters) loaded on the surface of SiO 2 sphere by utilizing multifunctional branched poly-ethylenimine (BPEI) as a surface charge modifying, reducing and stabilizing agent. The sequential coating of thickness controlled TiO 2 shells can further significantly improve the photocatalytic efficiency, while such structurally designed core-shell SiO 2 -Au GSH clusters-BPEI@TiO 2 composites maintain high photostability during longtime light illumination conditions. This joint strategy via interfacial modification and composition engineering provides a facile guideline for stabilizing ultrasmall Au clusters and rational design of Au clusters-based composites with improved activity toward targeting applications in photoredox catalysis.

  14. Substrate-dependent Au{sub x} cluster: A new insight into Au{sub x}/CeO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Kong-Jie; Yang, Yan-Ju [School of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004 (China); Lang, Jia-Jian [School of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004 (China); Engineering Laboratory of Specialty Fibers and Nuclear Energy Materials, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); Teng, Bo-Tao, E-mail: tbt@zjnu.cn [School of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004 (China); Wu, Feng-Min [School of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004 (China); Du, Shi-Yu [Engineering Laboratory of Specialty Fibers and Nuclear Energy Materials, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); Wen, Xiao-Dong, E-mail: wxd@sxicc.ac.cn [State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001 (China)

    2016-11-30

    Graphical abstract: 2D Au{sub x} (x < 10) on CeO{sub 2}(110) are more stable than 3D ones, while the stability trend changes for x ≥ 10; Au{sub x} (x ≤ 4) prefer to monatomically disperse on CeO{sub 2}(100) and aggregate to 3D clusters for x > 4. - Highlights: • The stable structures of Au{sub x}/CeO{sub 2} are dependent of index surfaces of CeO{sub 2}. • Au{sub x} prefers to monatomically disperse on CeO{sub 2}(100) at low coverage. • Au{sub x} aggregates to 3D clusters on CeO{sub 2}(100) at high coverage. • 2D Au{sub x} (x < 10) are more stable than the 3D ones on CeO{sub 2}(110). • The effects on the stability of Au{sub x}/CeO{sub 2} are systematically discussed. - Abstract: To theoretically study the structures of metal clusters on oxides is very important and becomes one of the most challenging works in computational heterogeneous catalysis since many factors affect their structures and lead to various possibilities. In this work, it is very interesting to find that the stable structures and stability evolution of Au{sub x} clusters on ceria are varied with different index surfaces of CeO{sub 2}. The corresponding reasons in chemical, geometric and electronic properties are systematically explored. Au{sub x} (x = 1–4) clusters prefer to separately disperse at the O-O bridge sites on CeO{sub 2}(100) due to the low coordination number of surface O; while aggregate due to the strong Au–Au attractions when x is larger than 4. Owing to the uniform distribution of O-O bridge sites on CeO{sub 2}(111) and (100), the most stable configurations of Au{sub x} are 3D structures with bottom atoms more than top ones when x is larger than 4. However, 2D configurations of Au{sub x}/CeO{sub 2}(110) (x < 10) are more stable than the corresponding 3D structures due to the particular O-O arrangement on CeO{sub 2}(110). 3D Au{sub x} clusters across O-O-Y lines are suggested as the most stable configurations for Au{sub x}/CeO{sub 2}(110) (x ≥ 10). The present

  15. Ultrafast relaxation dynamics of electrons in Au clusters capped with dodecanethiol molecules

    International Nuclear Information System (INIS)

    Hamanaka, Y.; Fukagawa, K.; Tai, Y.; Murakami, J.; Nakamura, A.

    2006-01-01

    We have investigated electron relaxation dynamics of size-selected Au clusters capped by dodecanethiol molecules in the cluster sizes of 28-142 atoms using femtosecond pump-probe spectroscopy. Absorption spectra of 28-71-atom clusters show discrete peaks due to the optical transitions between quantized states, while an absorption band due to the surface plasmon is observed in 142-atom clusters. In the differential absorption spectra measured by the pump-probe experiments, a large redshift of 140 meV lasting over 10 ps and absorption bleaching decaying within 2 ps are observed at the absorption peaks of 28-atom clusters. The redshift is ascribed to a charge transfer between Au clusters and dodecanethiol molecules adsorbed on the cluster surface, and the bleaching is due to blocking of the optical transitions between the ground state and the occupied electronic states due to the Pauli's-exclusion principle. Such behavior is in contrast to the 142-atom clusters, where the cooling of hot electrons generated by photo-excitation determines the relaxation dynamics. These results indicate molecular properties of the 28-atom Au cluster-dodecanethiol system

  16. High stability of the goldalloy fullerenes: A density functional theory investigation of M12@Au20 (M = Na, Al, Ag, Sc, Y, La, Lu, and Au) clusters

    International Nuclear Information System (INIS)

    Zhang Meng; Feng Xiao-Juan; Zhao Li-Xia; Zhang Hong-Yu; Luo You-Hua

    2012-01-01

    Discovering highly stable metal fullerenes such as the celebrated C 60 is interesting in cluster science as they have potential applications as building blocks in new nanostructures. We here investigated the structural and electronic properties of the fullerenes M 12 @Au 20 (M = Na, Al, Ag, Sc, Y, La, Lu, and Au), using a first-principles investigation with the density functional theory. It is found that these compound clusters possess a similar cage structure to the icosahedral Au 32 fullerene. La 12 @Au 20 is found to be particularly stable among these clusters. The binding energy of La 12 @Au 20 is 3.43 eV per atom, 1.05 eV larger than that in Au 32 . The highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap of La 12 @Au 20 is only 0.31 eV, suggesting that it should be relatively chemically reactive. (condensed matter: structural, mechanical, and thermal properties)

  17. Geometric, stable and electronic properties of Aun–2Y2 (n = 3–8) clusters

    International Nuclear Information System (INIS)

    Kai-Tian, Qi; Yong, Sheng; Hua-Ping, Mao; Hong-Yan, Wang

    2010-01-01

    Employing first-principles methods, based on the density function theory, and using the LANL2DZ basis sets, the ground-state geometric, the stable and the electronic properties of Au n–2 Y 2 clusters are investigated in this paper. Meanwhile, the differences in property among pure gold clusters, pure yttrium clusters, gold clusters doped with one yttrium atom, and gold clusters doped with two yttrium atoms are studied. We find that when gold clusters are doped by two yttrium atoms, the odd-even oscillatory behaviours of Au n–1 Y and Au n disappear. The properties of Au n–2 Y 2 clusters are close to those of pure yttrium clusters

  18. A redox-switchable Au8-cluster sensor.

    Science.gov (United States)

    Wu, Te-Haw; Hsu, Yu-Yen; Lin, Shu-Yi

    2012-07-09

    The proof of concept of a simple sensing platform based on the fluorescence of a gold cluster consisting of eight atoms, which is easily manipulated by reduction and oxidation of a specific molecule in the absence of chemical linkers, is demonstrated. Without using any coupling reagents to arrange the distance of the donor-acceptor pair, the fluorescence of the Au(8) -cluster is immediately switched off in the presence of 2-pyridinethiol (2-PyT) quencher. Through an upward-curving Stern-Volmer plot, the system shows complex fluorescence quenching with a combination of static and dynamic quenching processes. To analyze the static quenching constant (V) by a "sphere of action" model, the collisional encounter between the Au(8) -cluster and 2-PyT presents a quenching radius (r) ≈5.8 nm, which is larger than the sum of the radii of the Au(8) -cluster and 2-PyT. This implies that fluorescence quenching can occur even though the Au(8) -cluster and 2-PyT are not very close to each other. The quenching pathway may be derived from a photoinduced electron-transfer process of the encounter pair between the Au(8) -cluster (as an electron donor) and 2-PyT (as an electron acceptor) to allow efficient fluorescence quenching in the absence of coupling reagents. Interestingly, the fluorescence is restored by oxidation of 2-PyT to form the corresponding disulfide compound and then quenched again after the reduction of the disulfide. This redox-switchable fluorescent Au(8) -cluster platform is a novel discovery, and its utility as a promising sensor for detecting H(2) O(2) -generating enzymatic transformations is demonstrated. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Au55, a stable glassy cluster: results of ab initio calculations

    Directory of Open Access Journals (Sweden)

    Dieter Vollath

    2017-10-01

    Full Text Available Structure and properties of small nanoparticles are still under discussion. Moreover, some thermodynamic properties and the structural behavior still remain partially unknown. One of the best investigated nanoparticles is the Au55 cluster, which has been analyzed experimentally and theoretically. However, up to now, the results of these studies are still inconsistent. Consequently, we have carried out the present ab initio study of the Au55 cluster, using up-to-date computational concepts, in order to clarify these issues. Our calculations have confirmed the experimental result that the thermodynamically most stable structure is not crystalline, but it is glassy. The non-crystalline structure of this cluster was validated by comparison of the coordination numbers with those of a crystalline cluster. It was found that, in contrast to bulk materials, glass formation is connected to an energy release that is close to the melting enthalpy of bulk gold. Additionally, the surface energy of this cluster was calculated using two different theoretical approaches resulting in values close to the surface energy for bulk gold. It shall be emphasized that it is now possible to give a confidence interval for the value of the surface energy.

  20. Structures, stabilities, and electronic properties for rare-earth lanthanum doped gold clusters

    International Nuclear Information System (INIS)

    Zhao, Ya-Ru

    2015-01-01

    The structures, stabilities, and electronic properties of rare-earth lanthanum doped gold La 2 Au n (n = 1-9) and pure gold Au n (n ≤ 11) clusters have been investigated by using density functional theory. The optimized geometries show that the lowest energy structures of La 2 Au n clusters favour the 3D structure at n ≥ 3. The lanthanum atoms can strongly enhance the stabilities of gold clusters and tend to occupy the most highly coordinated position. By analysing the gap, vertical ionization potential, and chemical hardness, it is found that the La 2 Au 6 isomer possesses higher stability for small-sized La 2 Au n clusters (n = 1-9). The charges in the La 2 Au n clusters transfer from La atoms to the Au n host. In addition, Wiberg bond indices analysis reveals that the intensity of different bonds of La 2 Au n clusters exhibits a sequence of La-La bond > La-Au bond > Au-Au bond.

  1. Production of Au clusters by plasma gas condensation and their incorporation in oxide matrixes by sputtering

    Science.gov (United States)

    Figueiredo, N. M.; Serra, R.; Manninen, N. K.; Cavaleiro, A.

    2018-05-01

    Gold clusters were produced by plasma gas condensation method and studied in great detail for the first time. The influence of argon flow, discharge power applied to the Au target and aggregation chamber length on the size distribution and deposition rate of Au clusters was evaluated. Au clusters with sizes between 5 and 65 nm were deposited with varying deposition rates and size dispersion curves. Nanocomposite Au-TiO2 and Au-Al2O3 coatings were then deposited by alternating sputtering. These coatings were hydrophobic and showed strong colorations due to the surface plasmon resonance effect. By simulating the optical properties of the nanocomposites it was possible to identify each individual contribution to the overall surface plasmon resonance signal. These coatings show great potential to be used as high performance localized surface plasmon resonance sensors or as robust self-cleaning decorative protective layers. The hybrid method used for depositing the nanocomposites offers several advantages over co-sputtering or thermal evaporation processes, since a broader range of particle sizes can be obtained (up to tens of nanometers) without the application of any thermal annealing treatments and the properties of clusters and matrix can be controlled separately.

  2. Density functional study of structural and electronic properties of bimetallic silver-gold clusters: Comparison with pure gold and silver clusters

    Science.gov (United States)

    Bonacic-Koutecky, Vlasta; Burda, Jaroslav; Mitric, Roland; Ge, Maofa; Zampella, Giuseppe; Fantucci, Piercarlo

    2002-08-01

    Bimetallic silver-gold clusters offer an excellent opportunity to study changes in metallic versus "ionic" properties involving charge transfer as a function of the size and the composition, particularly when compared to pure silver and gold clusters. We have determined structures, ionization potentials, and vertical detachment energies for neutral and charged bimetallic AgmAun 3[less-than-or-equal](m+n)[less-than-or-equal]5 clusters. Calculated VDE values compare well with available experimental data. In the stable structures of these clusters Au atoms assume positions which favor the charge transfer from Ag atoms. Heteronuclear bonding is usually preferred to homonuclear bonding in clusters with equal numbers of hetero atoms. In fact, stable structures of neutral Ag2Au2, Ag3Au3, and Ag4Au4 clusters are characterized by the maximum number of hetero bonds and peripheral positions of Au atoms. Bimetallic tetramer as well as hexamer are planar and have common structural properties with corresponding one-component systems, while Ag4Au4 and Ag8 have 3D forms in contrast to Au8 which assumes planar structure. At the density functional level of theory we have shown that this is due to participation of d electrons in bonding of pure Aun clusters while s electrons dominate bonding in pure Agm as well as in bimetallic clusters. In fact, Aun clusters remain planar for larger sizes than Agm and AgnAun clusters. Segregation between two components in bimetallic systems is not favorable, as shown in the example of Ag5Au5 cluster. We have found that the structures of bimetallic clusters with 20 atoms Ag10Au10 and Ag12Au8 are characterized by negatively charged Au subunits embedded in Ag environment. In the latter case, the shape of Au8 is related to a pentagonal bipyramid capped by one atom and contains three exposed negatively charged Au atoms. They might be suitable for activating reactions relevant to catalysis. According to our findings the charge transfer in bimetallic

  3. Application of a parallel genetic algorithm to the global optimization of medium-sized Au-Pd sub-nanometre clusters

    Science.gov (United States)

    Hussein, Heider A.; Demiroglu, Ilker; Johnston, Roy L.

    2018-02-01

    To contribute to the discussion of the high activity and reactivity of Au-Pd system, we have adopted the BPGA-DFT approach to study the structural and energetic properties of medium-sized Au-Pd sub-nanometre clusters with 11-18 atoms. We have examined the structural behaviour and stability as a function of cluster size and composition. The study suggests 2D-3D crossover points for pure Au clusters at 14 and 16 atoms, whereas pure Pd clusters are all found to be 3D. For Au-Pd nanoalloys, the role of cluster size and the influence of doping were found to be extensive and non-monotonic in altering cluster structures. Various stability criteria (e.g. binding energies, second differences in energy, and mixing energies) are used to evaluate the energetics, structures, and tendency of segregation in sub-nanometre Au-Pd clusters. HOMO-LUMO gaps were calculated to give additional information on cluster stability and a systematic homotop search was used to evaluate the energies of the generated global minima of mono-substituted clusters and the preferred doping sites, as well as confirming the validity of the BPGA-DFT approach.

  4. Far-infrared spectra of yttrium-doped gold clusters Au(n)Y (n=1-9).

    Science.gov (United States)

    Lin, Ling; Claes, Pieterjan; Gruene, Philipp; Meijer, Gerard; Fielicke, André; Nguyen, Minh Tho; Lievens, Peter

    2010-06-21

    The geometric, spectroscopic, and electronic properties of neutral yttrium-doped gold clusters Au(n)Y (n=1-9) are studied by far-infrared multiple photon dissociation (FIR-MPD) spectroscopy and quantum chemical calculations. Comparison of the observed and calculated vibrational spectra allows the structures of the isomers present in the molecular beam to be determined. Most of the isomers for which the IR spectra agree best with experiment are calculated to be the energetically most stable ones. Attachment of xenon to the Au(n)Y cluster can cause changes in the IR spectra, which involve band shifts and band splittings. In some cases symmetry changes, as a result of the attachment of xenon atoms, were also observed. All the Au(n)Y clusters considered prefer a low spin state. In contrast to pure gold clusters, which exhibit exclusively planar lowest-energy structures for small sizes, several of the studied species are three-dimensional. This is particularly the case for Au(4)Y and Au(9)Y, while for some other sizes (n=5, 8) the 3D structures have an energy similar to that of their 2D counterparts. Several of the lowest-energy structures are quasi-2D, that is, slightly distorted from planar shapes. For all the studied species the Y atom prefers high coordination, which is different from other metal dopants in gold clusters.

  5. Understanding the structural properties and thermal stabilities of Au–Pd–Pt trimetallic clusters

    International Nuclear Information System (INIS)

    Zhao, Zheng; Li, Mingjiang; Cheng, Daojian; Zhu, Jiqin

    2014-01-01

    Highlights: • Structural properties of Au–Pd–Pt clusters are studied by Monte Carlo simulation. • Melting of Au–Pd–Pt clusters is studied by molecular dynamics simulation. • Au atoms are systematically segregated on the surface of the Au–Pd–Pt clusters. • Linear decrease in cluster melting point with the inverse cluster diameter. - Abstract: In this work, surface segregation phenomena of Au–Pd–Pt trimetallic clusters are investigated by using semi-grand Monte Carlo simulations based on the Gupta potential. It is found that Au atoms are systematically segregated on the surface of the Au–Pd–Pt clusters (6–24 at.% higher than the overall Au concentration), due to the competition among the surface energies of Au, Pd, and Pt. The melting properties of Au–Pd–Pt trimetallic clusters with different composition and size are investigated by using molecular dynamics simulations, based on the same Gupta potential. It is found that the Au–Pd–Pt trimetallic cluster with the highest melting point corresponds to the one with the most stable structure. In addition, linear decrease in cluster melting point with the inverse cluster diameter is predicted for both pure and trimetallic clusters, which is well-known as the Pawlow’s law

  6. Synthesis and stability of monolayer-protected Au38 clusters

    NARCIS (Netherlands)

    Toikkanen, O.; Ruiz, V.; Rönnholm, G.; Kalkkinen, N.; Liljeroth, P.W.; Quinn, B.M.

    2008-01-01

    A synthesis strategy to obtain monodisperse hexanethiolate-protected Au38 clusters based on their resistance to etching upon exposure to a hyperexcess of thiol is reported. The reduction time in the standard Brust−Schiffrin two-phase synthesis was optimized such that Au38 were the only clusters that

  7. Tuning Properties in Silver Clusters

    KAUST Repository

    Joshi, Chakra Prasad

    2015-07-09

    The properties of Ag nanoclusters are not as well understood as those of their more precious Au cousins. However, a recent surge in the exploration of strategies to tune the physicochemical characteristics of Ag clusters addresses this imbalance, leading to new insights into their optical, luminescence, crystal habit, metal-core, ligand-shell and environmental properties. In this Perspective, we provide an overview of the latest strategies along with a brief introduction of the theoretical framework necessary to understand the properties of silver nanoclusters and the basis for their tuning. The advances in cluster research and the future prospects presented in this Perspective will eventually guide the next large systematic study of nanoclusters, resulting in a single collection of data similar to the periodic table of elements.

  8. Tuning Properties in Silver Clusters

    KAUST Repository

    Joshi, Chakra Prasad; Bootharaju, Megalamane Siddaramappa; Bakr, Osman

    2015-01-01

    The properties of Ag nanoclusters are not as well understood as those of their more precious Au cousins. However, a recent surge in the exploration of strategies to tune the physicochemical characteristics of Ag clusters addresses this imbalance, leading to new insights into their optical, luminescence, crystal habit, metal-core, ligand-shell and environmental properties. In this Perspective, we provide an overview of the latest strategies along with a brief introduction of the theoretical framework necessary to understand the properties of silver nanoclusters and the basis for their tuning. The advances in cluster research and the future prospects presented in this Perspective will eventually guide the next large systematic study of nanoclusters, resulting in a single collection of data similar to the periodic table of elements.

  9. Atomic characterization of Au clusters in vapor-liquid-solid grown silicon nanowires

    International Nuclear Information System (INIS)

    Chen, Wanghua; Roca i Cabarrocas, Pere; Pareige, Philippe; Castro, Celia; Xu, Tao; Grandidier, Bruno; Stiévenard, Didier

    2015-01-01

    By correlating atom probe tomography with other conventional microscope techniques (scanning electron microscope, scanning transmission electron microscope, and scanning tunneling microscopy), the distribution and composition of Au clusters in individual vapor-liquid-solid grown Si nanowires is investigated. Taking advantage of the characteristics of atom probe tomography, we have developed a sample preparation method by inclining the sample at certain angle to characterize the nanowire sidewall without using focused ion beam. With three-dimensional atomic scale reconstruction, we provide direct evidence of Au clusters tending to remain on the nanowire sidewall rather than being incorporated into the Si nanowires. Based on the composition measurement of Au clusters (28% ± 1%), we have demonstrated the supersaturation of Si atoms in Au clusters, which supports the hypothesis that Au clusters are formed simultaneously during nanowire growth rather than during the cooling process

  10. Atomic characterization of Au clusters in vapor-liquid-solid grown silicon nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Wanghua; Roca i Cabarrocas, Pere [Laboratoire de Physique des Interfaces et Couches Minces (LPICM), UMR 7647, CNRS, Ecole Polytechnique, 91128 Palaiseau (France); Pareige, Philippe; Castro, Celia [Groupe de Physique des Matériaux (GPM), Université et INSA de Rouen, UMR 6634, CNRS, Av. de l' Université, BP 12, 76801 Saint Etienne du Rouvray (France); Xu, Tao; Grandidier, Bruno; Stiévenard, Didier [Institut d' Electronique et de Microélectronique et de Nanotechnologies (IEMN), UMR 8520, CNRS, Département ISEN, 41 bd Vauban, 59046 Lille Cedex (France)

    2015-09-14

    By correlating atom probe tomography with other conventional microscope techniques (scanning electron microscope, scanning transmission electron microscope, and scanning tunneling microscopy), the distribution and composition of Au clusters in individual vapor-liquid-solid grown Si nanowires is investigated. Taking advantage of the characteristics of atom probe tomography, we have developed a sample preparation method by inclining the sample at certain angle to characterize the nanowire sidewall without using focused ion beam. With three-dimensional atomic scale reconstruction, we provide direct evidence of Au clusters tending to remain on the nanowire sidewall rather than being incorporated into the Si nanowires. Based on the composition measurement of Au clusters (28% ± 1%), we have demonstrated the supersaturation of Si atoms in Au clusters, which supports the hypothesis that Au clusters are formed simultaneously during nanowire growth rather than during the cooling process.

  11. Kinetic Investigation of Homogeneous H(2)-D(2) Equilibration Catalyzed by Pt-Au Cluster Compounds. Characterization of the Cluster [(H)Pt(AuPPh(3))(9)](NO(3))(2).

    Science.gov (United States)

    Rubinstein, Leon I.; Pignolet, Louis H.

    1996-11-06

    The new Pt-Au hydrido cluster compound [(H)Pt(AuPPh(3))(9)](NO(3))(2) (3) has been synthesized and characterized by NMR, FABMS, and single-crystal X-ray diffraction [triclinic, P&onemacr;, a = 17.0452(1) Å, b = 17.4045(2) Å, c = 55.2353(1) Å, alpha = 89.891(1) degrees, beta = 85.287(1) degrees, gamma = 75.173(1) degrees, V = 15784.0(2) Å(3), Z = 4 (two molecules in asymmetric unit), residual R = 0.089 for 45 929 observed reflections and 3367 variables, Mo Kalpha radiation]. The Pt(AuP)(9) core geometry is a distorted icosahedron with three vertices vacant. The Pt-Au, Au-Au, and Au-P distances are within the normal ranges observed in other Pt-Au clusters. This cluster is a catalyst for H(2)-D(2) equilibration in homogeneous solution phase and has been used in a general mechanistic study of this reaction catalyzed by Pt-Au clusters. We previously proposed that a key step in the mechanism for catalytic H(2)-D(2) equilibration is the dissociation of a PPh(3) ligand to give a cluster with an open Au site for bonding of H(2) or D(2). This was based on qualitative observations that PPh(3) inhibited the rate of HD production with [Pt(AuPPh(3))(8)](NO(3))(2) (1) as catalyst. In order to test this hypothesis, phosphine inhibition (on the rate of HD production) and phosphine ligand exchange kinetic experiments were carried out with [(H)(PPh(3))Pt(AuPPh(3))(7)](NO(3))(2) (2) and 3. In this paper we show that the rate constant for phosphine dissociation determined from the PPh(3) inhibition rate study of H(2)-D(2) equilibration with cluster 2 is nearly identical to the rate constant for dissociative phosphine ligand exchange. The slower rate for H(2)-D(2) equilibration observed with 3 compared with 2 (5.5 x 10(-3) vs 7.7 x 10(-2) turnover s(-1)) is explained by its smaller rate constant for phosphine dissociation (2.8 x 10(-5) vs 2.9 x 10(-4) s(-1)). The fact that clusters 2 and 3 show similar kinetic behaviors suggests that the PPh(3) dissociation step in the catalytic H(2

  12. Energy properties of deuterium cluster impacts on TiD targets

    International Nuclear Information System (INIS)

    Yamamura, Yasunori

    1992-01-01

    In order to know the energy properties of deuterium atoms in the cluster impact region, the deuterium cluster impact phenomena have been simulated by using the time-evolution Monte Carlo simulation code DYACAT, where the (D) n (n being 100 to 500 ) with energy 500eV/atom are bombarded on TiD targets. For comparison, the energy properties of 500 eV/atom (Al) 500 cluster impacts on amorphous Au targets have also been simulated. In the case of the deuterium cluster impacts on TiD targets, the high energy tail of the energy distribution of deuterium atoms drops so fast. The temperature of the deuterium cluster impact region is less than 100 ev, and it decreases slightly as the cluster size increases due to the enhanced energy removal with reflected deuterium atoms and sputtered deuterium atoms. While in the case of 500 eV/atom (Al) 500 cluster impacts on Au the high-energy tail of the energy distribution of Al atoms due to the big cluster impact can be well described in terms of the Maxwell-Boltzmann function whose temperature is 270 ev. (author)

  13. 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.

  14. Molecular oxygen adsorption and dissociation on Au12M clusters with M = Cu, Ag or Ir

    Science.gov (United States)

    Jiménez-Díaz, Laura M.; Pérez, Luis A.

    2018-03-01

    In this work, we present a density functional theory study of the structural and electronic properties of isolated neutral clusters of the type Au12M, with M = Cu, Ag, or Ir. On the other hand, there is experimental evidence that gold-silver, gold-copper and gold-iridium nanoparticles have an enhanced catalytic activity for the CO oxidation reaction. In order to address these phenomena, we also performed density functional calculations of the adsorption and dissociation of O2 on these nanoparticles. Moreover, to understand the effects of Cu, Ag, and Ir impurity atoms on the dissociation of O2, we also analyze this reaction in the corresponding pure gold cluster. The results indicate that the substitution of one gold atom in a Au13 cluster by Ag, Cu or Ir diminishes the activation energy barrier for the O2 dissociation by nearly 1 eV. This energy barrier is similar for Au12Ag and Au12Cu, whereas for Au12Ir is even lower. These results suggest that the addition of other transition metal atoms to gold nanoclusters can enhance their catalytic activity towards the CO oxidation reaction, independently of the effect that the substrate could have on supported nanoclusters.

  15. Investigation of the exotic clusters production in Au-Au collisions at √sNN = 200 GeV

    International Nuclear Information System (INIS)

    Besliu, Calin

    2004-01-01

    Recently experimental signals on some exotic clusters (diquarks, pentaquarks and others) have been obtained. Taking into account the experimental results on some new phenomena observed in Au-Au collisions at RHIC-BNL energies, we propose here an analysis of the formation of the exotic clusters using the experimental data obtained in the BRAHMS Experiment from RHIC-BNL. The suppression of the hadronic resonances and the production of some exotic clusters or resonances (diquarks, dibaryons, pentaquarks) could be possible, taking into account the kaons and antiprotons abundances. The experimental results obtained in Au-Au collisions at √s NN = 200 GeV using the BRAHMS experimental setup indicate a very weak weight of the classical resonances (under 2% all). On the other hand, the analysis of the proton-proton, proton-antiproton, kaon-proton, proton-pion-pion combinations, in the final state, indicates the existence of some pentaquarks and meso-baryon states (I = 5/2). These very preliminary results are in agreement with the results mentioned previously. (author)

  16. A critical size for emergence of nonbulk electronic and geometric structures in dodecanethiolate-protected Au clusters.

    Science.gov (United States)

    Negishi, Yuichi; Nakazaki, Tafu; Malola, Sami; Takano, Shinjiro; Niihori, Yoshiki; Kurashige, Wataru; Yamazoe, Seiji; Tsukuda, Tatsuya; Häkkinen, Hannu

    2015-01-28

    We report on how the transition from the bulk structure to the cluster-specific structure occurs in n-dodecanethiolate-protected gold clusters, Au(n)(SC12)m. To elucidate this transition, we isolated a series of Au(n)(SC12)m in the n range from 38 to ∼520, containing five newly identified or newly isolated clusters, Au104(SC12)45, Au(∼226)(SC12)(∼76), Au(∼253)(SC12)(∼90), Au(∼356)(SC12)(∼112), and Au(∼520)(SC12)(∼130), using reverse-phase high-performance liquid chromatography. Low-temperature optical absorption spectroscopy, powder X-ray diffractometry, and density functional theory (DFT) calculations revealed that the Au cores of Au144(SC12)60 and smaller clusters have molecular-like electronic structures and non-fcc geometric structures, whereas the structures of the Au cores of larger clusters resemble those of the bulk gold. A new structure model is proposed for Au104(SC12)45 based on combined approach between experiments and DFT calculations.

  17. Water-soluble phosphine-protected Au9 clusters: Electronic structures and nuclearity conversion via phase transfer

    Science.gov (United States)

    Yao, Hiroshi; Tsubota, Shuhei

    2017-08-01

    In this article, isolation, exploration of electronic structures, and nuclearity conversion of water-soluble triphenylphosphine monosulfonate (TPPS)-protected nonagold (Au9) clusters are outlined. The Au9 clusters are obtained by the reduction of solutions containing TPPS and HAuCl4 and subsequent electrophoretic fractionation. Mass spectrometry and elemental analysis reveal the formation of [Au9(TPPS)8]5- nonagold cluster. UV-vis absorption and magnetic circular dichroism (MCD) spectra of aqueous [Au9(TPPS)8]5- are quite similar to those of [Au9(PPh3)8]3+ in organic solvent, so the solution-phase structures are likely similar for both systems. Simultaneous deconvolution analysis of absorption and MCD spectra demonstrates the presence of some weak electronic transitions that are essentially unresolved in the UV-vis absorption. Quantum chemical calculations for a model compound [Au9(pH3)8]3+ show that the possible (solution-phase) skeletal structure of the nonagold cluster has D2h core symmetry rather than C4-symmetrical centered crown conformation, which is known as the crystal form of the Au9 compound. Moreover, we find a new nuclearity conversion route from Au9 to Au8; that is, phase transfer of aqueous [Au9(TPPS)8]5- into chloroform using tetraoctylammonium bromide yields [Au8(TPPS)8]6- clusters in the absence of excess phosphine.

  18. Gd doped Au nanoclusters: Molecular magnets with novel properties

    KAUST Repository

    Mokkath, Junais Habeeb

    2014-01-01

    The structural, magnetic, and optical properties of subnanometer Au N and AuN-1Gd1 gas phase clusters (N = 2 to 8) are systematically investigated in the framework of (time-dependent) density functional theory, using the B3LYP hybrid exchange correlation functional. The size dependent evolution of the gap between the highest occupied and lowest unoccupied molecular orbitals, the magnetism, and the absorption spectra are studied. The simultaneous appearance of large magnetic moments, significant band gaps, and plasmon resonances in the visible spectral region leads to novel multi-functional nanomaterials for applications in drug delivery, magnetic resonance imaging, and photo-responsive agents. © 2013 Elsevier B.V. All rights reserved.

  19. MicroED Structure of Au146(p-MBA)57 at Subatomic Resolution Reveals a Twinned FCC Cluster.

    Science.gov (United States)

    Vergara, Sandra; Lukes, Dylan A; Martynowycz, Michael W; Santiago, Ulises; Plascencia-Villa, Germán; Weiss, Simon C; de la Cruz, M Jason; Black, David M; Alvarez, Marcos M; López-Lozano, Xochitl; Barnes, Christopher O; Lin, Guowu; Weissker, Hans-Christian; Whetten, Robert L; Gonen, Tamir; Yacaman, Miguel Jose; Calero, Guillermo

    2017-11-16

    Solving the atomic structure of metallic clusters is fundamental to understanding their optical, electronic, and chemical properties. Herein we present the structure of the largest aqueous gold cluster, Au 146 (p-MBA) 57 (p-MBA: para-mercaptobenzoic acid), solved by electron micro-diffraction (MicroED) to subatomic resolution (0.85 Å) and by X-ray diffraction at atomic resolution (1.3 Å). The 146 gold atoms may be decomposed into two constituent sets consisting of 119 core and 27 peripheral atoms. The core atoms are organized in a twinned FCC structure, whereas the surface gold atoms follow a C 2 rotational symmetry about an axis bisecting the twinning plane. The protective layer of 57 p-MBAs fully encloses the cluster and comprises bridging, monomeric, and dimeric staple motifs. Au 146 (p-MBA) 57 is the largest cluster observed exhibiting a bulk-like FCC structure as well as the smallest gold particle exhibiting a stacking fault.

  20. Size exclusion chromatography for semipreparative scale separation of Au38(SR)24 and Au40(SR)24 and larger clusters.

    Science.gov (United States)

    Knoppe, Stefan; Boudon, Julien; Dolamic, Igor; Dass, Amala; Bürgi, Thomas

    2011-07-01

    Size exclusion chromatography (SEC) on a semipreparative scale (10 mg and more) was used to size-select ultrasmall gold nanoclusters (<2 nm) from polydisperse mixtures. In particular, the ubiquitous byproducts of the etching process toward Au(38)(SR)(24) (SR, thiolate) clusters were separated and gained in high monodispersity (based on mass spectrometry). The isolated fractions were characterized by UV-vis spectroscopy, MALDI mass spectrometry, HPLC, and electron microscopy. Most notably, the separation of Au(38)(SR)(24) and Au(40)(SR)(24) clusters is demonstrated.

  1. Antimicrobial photodynamic activity and cytocompatibility of Au25(Capt18 clusters photoexcited by blue LED light irradiation

    Directory of Open Access Journals (Sweden)

    Miyata S

    2017-04-01

    Full Text Available Saori Miyata,1 Hirofumi Miyaji,1 Hideya Kawasaki,2 Masaki Yamamoto,2 Erika Nishida,1 Hiroko Takita,3 Tsukasa Akasaka,4 Natsumi Ushijima,3 Toshihiko Iwanaga,5 Tsutomu Sugaya1 1Department of Periodontology and Endodontology, Hokkaido University Graduate School of Dental Medicine, Kita-ku, Sapporo, 2Department of Chemistry and Materials Engineering, Faculty of Chemistry, Materials and Bioengineering, Kansai University, Suita-shi, Osaka, 3Support Section for Education and Research, Hokkaido University Graduate School of Dental Medicine, 4Department of Biomedical, Dental Materials and Engineering, Graduate School of Dental Medicine, Hokkaido University, 5Department of Anatomy, Laboratory of Histology and Cytology, Hokkaido University Graduate School of Medicine, Kita-ku, Sapporo, Japan Abstract: Antimicrobial photodynamic therapy (aPDT has beneficial effects in dental treatment. We applied captopril-protected gold (Au25(Capt18 clusters as a novel photosensitizer for aPDT. Photoexcited Au clusters under light irradiation generated singlet oxygen (1O2. Accordingly, the antimicrobial and cytotoxic effects of Au25(Capt18 clusters under dental blue light-emitting diode (LED irradiation were evaluated. 1O2 generation of Au25(Capt18 clusters under blue LED irradiation (420–460 nm was detected by a methotrexate (MTX probe. The antimicrobial effects of photoexcited Au clusters (0, 5, 50, and 500 µg/mL on oral bacterial cells, such as Streptococcus mutans, Aggregatibacter actinomycetemcomitans, and Porphyromonas gingivalis, were assessed by morphological observations and bacterial growth experiments. Cytotoxicity testing of Au clusters and blue LED irradiation was then performed against NIH3T3 and MC3T3-E1 cells. In addition, the biological performance of Au clusters (500 µg/mL was compared to an organic dye photosensitizer, methylene blue (MB; 10 and 100 µg/mL. We confirmed the 1O2 generation ability of Au25(Capt18 clusters through the fluorescence

  2. Fullerene faraday cage keeps magnetic properties of inner cluster pristine.

    Science.gov (United States)

    Avdoshenko, Stanislav M

    2018-04-21

    Any single molecular magnets (SMMs) perspective for application is as good as its magnetization stability in ambient conditions. Endohedral metallofullerenes (EMFs) provide a solid basis for promising SMMs. In this study, we investigated the behavior of functionalized EMFs on a gold surface (EMF-L-Au). Having followed the systems molecular dynamics paths, we observed that the chemically locked inner cluster inside fullerene cage will remain locked even at room temperature due to the ligand-effect. We have located multiple possible minima with different charge arrangements between EMF-L-Au fragments. Remarkably, the charge state of the EMF inner cluster remained virtually constant and so magnetic properties are expected to be untouched. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  3. Intense fluorescence of Au 20

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Chongqi; Harbich, Wolfgang; Sementa, Luca; Ghiringhelli, Luca; Apra, Edoardo; Stener, Mauro; Fortunelli, Alessandro; Brune, Harald

    2017-08-21

    Ligand-protected Au clusters are non-bleaching fluorescence markers in bio- and medical applications. We show that their fluorescence is an intrinsic property of the Au cluster itself. We find a very intense and sharp fluorescence peak located at λ =739.2 nm (1.68 eV) for Au20 clusters in a Ne matrix held at 6 K. The fluorescence reflects the HOMO-LUMO diabatic bandgap of the cluster. The cluster shows a very rich absorption fine structure reminiscent of well defined molecule-like quantum levels. These levels are resolved since Au20 has only one stable isomer (tetrahedral), therefore our sample is mono-disperse in cluster size and conformation. Density-functional theory (DFT) and time-dependent DFT calculations clarify the nature of optical absorptionand predict both main absorption peaks and intrinsic fluorescence in good agreement with experiment.

  4. Au70S20(PPh3)12: an intermediate sized metalloid gold cluster stabilized by the Au4S4 ring motif and Au-PPh3 groups.

    Science.gov (United States)

    Kenzler, Sebastian; Schrenk, Claudio; Frojd, Andrew R; Häkkinen, Hannu; Clayborne, Andre Z; Schnepf, Andreas

    2018-01-02

    Reducing (Ph 3 P)AuSC(SiMe 3 ) 3 with l-Selectride® gives the medium-sized metalloid gold cluster Au 70 S 20 (PPh 3 ) 12 . Computational studies show that the phosphine bound Au-atoms not only stabilize the electronic structure of Au 70 S 20 (PPh 3 ) 12 , but also behave as electron acceptors leading to auride-like gold atoms on the exterior.

  5. Modeling the pinning of Au and Ni clusters on graphite

    NARCIS (Netherlands)

    Smith, R.; Nock, C.; Kenny, S.D.; Belbruno, J.J.; Di Vece, M.; Paloma, S.; Palmer, R.E.

    2006-01-01

    The pinning of size-selected AuN and NiN clusters on graphite, for N=7–100, is investigated by means of molecular dynamics simulations and the results are compared to experiment and previous work with Ag clusters. Ab initio calculations of the binding of the metal adatom and dimers on a graphite

  6. Direct atomic imaging and density functional theory study of the Au24Pd1 cluster catalyst.

    Science.gov (United States)

    Bruma, A; Negreiros, F R; Xie, S; Tsukuda, T; Johnston, R L; Fortunelli, A; Li, Z Y

    2013-10-21

    In this study we report a direct, atomic-resolution imaging of calcined Au24Pd1 clusters supported on multiwall carbon nanotubes by employing aberration-corrected scanning transmission electron microscopy. Using gold atoms as mass standards, we confirm the cluster size to be 25 ± 2, in agreement with the Au24Pd1(SR)18 precursor used in the synthesis. Concurrently, a Density-Functional/Basin-Hopping computational algorithm is employed to locate the low-energy configurations of free Au24Pd1 cluster. Cage structures surrounding a single core atom are found to be favored, with a slight preference for Pd to occupy the core site. The cluster shows a tendency toward elongated arrangements, consistent with experimental data. The degree of electron transfer from the Pd dopant to Au is quantified through a Löwdin charge analysis, suggesting that Pd may act as an electron promoter to the surrounding Au atoms when they are involved in catalytic reactions.

  7. Au11Re: A hollow or endohedral binary cluster?

    Science.gov (United States)

    MacLeod Carey, Desmond; Muñoz-Castro, Alvaro

    2018-06-01

    In this letter, we discussed the plausible formation of [Au11Re] as a superatom with an electronic structure accounted by the 1S21P61D10 shell order, denoting similar stability to [W@Au12]. The possible hollow or endohedral structures show a variable HOMO-LUMO gap according to the given structure (from 0.33 to 1.30 eV, at the PBE/ZORA level). Our results show that the energy minimum is an endohedral arrangement, where Re is encapsulated in a D3h-Au11 cage, retaining a higher gold-dopant stoichiometric ratio. This approach is useful for further rationalization and design of novel superatoms expanding the libraries of endohedral clusters.

  8. Photo-induced transformation process at gold clusters-semiconductor interface: Implications for the complexity of gold clusters-based photocatalysis

    Science.gov (United States)

    Liu, Siqi; Xu, Yi-Jun

    2016-03-01

    The recent thrust in utilizing atomically precise organic ligands protected gold clusters (Au clusters) as photosensitizer coupled with semiconductors for nano-catalysts has led to the claims of improved efficiency in photocatalysis. Nonetheless, the influence of photo-stability of organic ligands protected-Au clusters at the Au/semiconductor interface on the photocatalytic properties remains rather elusive. Taking Au clusters-TiO2 composites as a prototype, we for the first time demonstrate the photo-induced transformation of small molecular-like Au clusters to larger metallic Au nanoparticles under different illumination conditions, which leads to the diverse photocatalytic reaction mechanism. This transformation process undergoes a diffusion/aggregation mechanism accompanied with the onslaught of Au clusters by active oxygen species and holes resulting from photo-excited TiO2 and Au clusters. However, such Au clusters aggregation can be efficiently inhibited by tuning reaction conditions. This work would trigger rational structural design and fine condition control of organic ligands protected-metal clusters-semiconductor composites for diverse photocatalytic applications with long-term photo-stability.

  9. Probing the structural and electronic properties of cationic rubidium-gold clusters: [AunRb]+ (n = 1-10)

    Science.gov (United States)

    Zhao, Ya-Ru; Zhang, Hai-Rong; Qian, Yu; Duan, Xu-Chao; Hu, Yan-Fei

    2016-03-01

    Density functional theory has been applied to study the geometric structures, relative stabilities, and electronic properties of cationic [AunRb]+ and Aun + 1+ (n = 1-10) clusters. For the lowest energy structures of [AunRb]+ clusters, the planar to three-dimensional transformation is found to occur at cluster size n = 4 and the Rb atoms prefer being located at the most highly coordinated position. The trends of the averaged atomic binding energies, fragmentation energies, second-order difference of energies, and energy gaps show pronounced even-odd alternations. It indicated that the clusters containing odd number of atoms maintain greater stability than the clusters in the vicinity. In particular, the [Au6Rb]+ clusters are the most stable isomer for [AunRb]+ clusters in the region of n = 1-10. The charges in [AunRb]+ clusters transfer from the Rb atoms to Aun host. Density of states revealed that the Au-5d, Au-5p, and Rb-4p orbitals hardly participated in bonding. In addition, it is found that the most favourable channel of the [AunRb]+ clusters is Rb+ cation ejection. The electronic localisation function (ELF) analysis of the [AunRb]+ clusters shown that strong interactions are not revealed in this study.

  10. Digital Signal Processing Based on a Clustering Algorithm for Ir/Au TES Microcalorimeter

    Science.gov (United States)

    Zen, N.; Kunieda, Y.; Takahashi, H.; Hiramoto, K.; Nakazawa, M.; Fukuda, D.; Ukibe, M.; Ohkubo, M.

    2006-02-01

    In recent years, cryogenic microcalorimeters using their superconducting transition edge have been under development for possible application to the research for astronomical X-ray observations. To improve the energy resolution of superconducting transition edge sensors (TES), several correction methods have been developed. Among them, a clustering method based on digital signal processing has recently been proposed. In this paper, we applied the clustering method to Ir/Au bilayer TES. This method resulted in almost a 10% improvement in the energy resolution. Conversely, from the point of view of imaging X-ray spectroscopy, we applied the clustering method to pixellated Ir/Au-TES devices. We will thus show how a clustering method which sorts signals by their shapes is also useful for position identification

  11. Pt/Au nanoalloy supported on alumina and chlorided alumina: DFT and experimental analysis

    Science.gov (United States)

    Sharifi, N.; Falamaki, C.; Ghorbanzadeh Ahangari, M.

    2018-04-01

    Density functional theory (DFT) was used to explore the adsorption of Pt/Au nanoalloy onto a pure and chlorided γ-Al2O3(110) surface, which has been applied in numerous catalytic reactions. First, we considered the adsorption properties of Pt clusters (n ≤ 5) onto the Al2O3(110) surface to determine the most stable Pt cluster on alumina surface in reforming processes. After full structural relaxations of Pt clusters at various configurations on alumina, our computed results expressed that the minimum binding energy (‑5.67 eV) is accrued for Pt4 cluster and the distance between the nearest Pt atom in the cluster to the alumina surface is equal to 1.13 Å. Then, we investigated the binding energies, geometries, and electronic properties of adsorbed Aun clusters (n ≤ 6) on the γ-Al2O3(110) surface. Our studied showed that Au5 was the most thermodynamically stable structure on γ-Al2O3. Finally, we inspected these properties for adsorbed Au clusters onto the Pt4-decorated alumina (Aun/Pt4-alumina) system. The binding energy of the Au4/Pt4-alumina system was ‑5.01 eV, and the distance between Au4 cluster and Pt4-alumina was 1.33 Å. The Au4/Pt4alumina system was found to be the most stable nanometer-sized catalyst design. At last, our first-principles calculations predicted that the best position of embedment Cl on the Au4/Pt4-alumina.

  12. Equilibrium geometries, electronic and magnetic properties of small AunNi- (n = 1-9) clusters

    Science.gov (United States)

    Tang, Cui-Ming; Chen, Xiao-Xu; Yang, Xiang-Dong

    2014-05-01

    Geometrical, electronic and magnetic properties of small AunNi- (n = 1-9) clusters have been investigated based on density functional theory (DFT) at PW91P86 level. An extensive structural search shows that the relative stable structures of AunNi- (n = 1-9) clusters adopt 2D structure for n = 1-5, 7 and 3D structure for n = 6, 8-9. And the substitution of a Ni atom for an Au atom in the Au-n+1 cluster obviously changes the structure of the host cluster. Moreover, an odd-even alternation phenomenon has been found for HOMO-LUMO energy gaps, indicating that the relative stable structures of the AunNi- clusters with odd-numbered gold atoms have a higher relative stability. Finally, the natural population analysis (NPA) and the vertical detachment energies (VDE) are studied, respectively. The theoretical values of VDE are reported for the first time to our best knowledge.

  13. Systematic Study on the Self-Assembled Hexagonal Au Voids, Nano-Clusters and Nanoparticles on GaN (0001.

    Directory of Open Access Journals (Sweden)

    Puran Pandey

    Full Text Available Au nano-clusters and nanoparticles (NPs have been widely utilized in various electronic, optoelectronic, and bio-medical applications due to their great potentials. The size, density and configuration of Au NPs play a vital role in the performance of these devices. In this paper, we present a systematic study on the self-assembled hexagonal Au voids, nano-clusters and NPs fabricated on GaN (0001 by the variation of annealing temperature and deposition amount. At relatively low annealing temperatures between 400 and 600°C, the fabrication of hexagonal shaped Au voids and Au nano-clusters are observed and discussed based on the diffusion limited aggregation model. The size and density of voids and nano-clusters can systematically be controlled. The self-assembled Au NPs are fabricated at comparatively high temperatures from 650 to 800°C based on the Volmer-Weber growth model and also the size and density can be tuned accordingly. The results are symmetrically analyzed and discussed in conjunction with the diffusion theory and thermodynamics by utilizing AFM and SEM images, EDS maps and spectra, FFT power spectra, cross-sectional line-profiles and size and density plots.

  14. Controlled assembly and single electron charging of monolayer protected Au144 clusters: an electrochemistry and scanning tunneling spectroscopy study

    Science.gov (United States)

    Bodappa, Nataraju; Fluch, Ulrike; Fu, Yongchun; Mayor, Marcel; Moreno-García, Pavel; Siegenthaler, Hans; Wandlowski, Thomas

    2014-11-01

    Single gold particles may serve as room temperature single electron memory units because of their size dependent electronic level spacing. Here, we present a proof-of-concept study by electrochemically controlled scanning probe experiments performed on tailor-made Au particles of narrow dispersity. In particular, the charge transport characteristics through chemically synthesized hexane-1-thiol and 4-pyridylbenzene-1-thiol mixed monolayer protected Au144 clusters (MPCs) by differential pulse voltammetry (DPV) and electrochemical scanning tunneling spectroscopy (EC-STS) are reported. The pyridyl groups exposed by the Au-MPCs enable their immobilization on Pt(111) substrates. By varying the humidity during their deposition, samples coated by stacks of compact monolayers of Au-MPCs or decorated with individual, laterally separated Au-MPCs are obtained. DPV experiments with stacked monolayers of Au144-MPCs and EC-STS experiments with laterally separated individual Au144-MPCs are performed both in aqueous and ionic liquid electrolytes. Lower capacitance values were observed for individual clusters compared to ensemble clusters. This trend remains the same irrespective of the composition of the electrolyte surrounding the Au144-MPC. However, the resolution of the energy level spacing of the single clusters is strongly affected by the proximity of neighboring particles.Single gold particles may serve as room temperature single electron memory units because of their size dependent electronic level spacing. Here, we present a proof-of-concept study by electrochemically controlled scanning probe experiments performed on tailor-made Au particles of narrow dispersity. In particular, the charge transport characteristics through chemically synthesized hexane-1-thiol and 4-pyridylbenzene-1-thiol mixed monolayer protected Au144 clusters (MPCs) by differential pulse voltammetry (DPV) and electrochemical scanning tunneling spectroscopy (EC-STS) are reported. The pyridyl groups

  15. The Electronic Properties and L3 XANES of Au and Nano-Au

    International Nuclear Information System (INIS)

    Yiu, Y.M.; Zhang, P.; Sham, T.K.

    2004-01-01

    The electronic properties of Au crystal and nano Au have been investigated by theory and experiment. Molecularly capped nano-Au was synthesized using the two-phase method. Au nano-particles have been characterized by X-Ray Diffraction (XRD) and Transmission Electron Microscopy (TEM). They retain the fcc crystal structure. Their sizes have been determined to be in a range from 5.5 nm to 1.7 nm. The L3 X-ray Absorption Near Edge Structure (XANES) of nano-Au and Au foil have been recorded using synchrotron radiation, and examined by theoretical calculation based on the first principles. Both theory and experiment show that the nano-Au particles have essentially all the Au L3 XANES features of bulk Au in the near edge region with less pronounced resonance peaks. It is also shown that nano Au exhibits lower 4f binding energy than bulk Au in good agreement with quantum confined Au systems reported previously.

  16. Ligand-protected gold clusters: the structure, synthesis and applications

    International Nuclear Information System (INIS)

    Pichugina, D A; Kuz'menko, N E; Shestakov, A F

    2015-01-01

    Modern concepts of the structure and properties of atomic gold clusters protected by thiolate, selenolate, phosphine and phenylacetylene ligands are analyzed. Within the framework of the superatom theory, the 'divide and protect' approach and the structure rule, the stability and composition of a cluster are determined by the structure of the cluster core, the type of ligands and the total number of valence electrons. Methods of selective synthesis of gold clusters in solution and on the surface of inorganic composites based, in particular, on the reaction of Au n with RS, RSe, PhC≡C, Hal ligands or functional groups of proteins, on stabilization of clusters in cavities of the α-, β and γ-cyclodextrin molecules (Au 15 and Au 25 ) and on anchorage to a support surface (Au 25 /SiO 2 , Au 20 /C, Au 10 /FeO x ) are reviewed. Problems in this field are also discussed. Among the methods for cluster structure prediction, particular attention is given to the theoretical approaches based on the density functional theory (DFT). The structures of a number of synthesized clusters are described using the results obtained by X-ray diffraction analysis and DFT calculations. A possible mechanism of formation of the SR(AuSR) n 'staple' units in the cluster shell is proposed. The structure and properties of bimetallic clusters M x Au n L m (M=Pd, Pt, Ag, Cu) are discussed. The Pd or Pt atom is located at the centre of the cluster, whereas Ag and Cu atoms form bimetallic compounds in which the heteroatom is located on the surface of the cluster core or in the 'staple' units. The optical properties, fluorescence and luminescence of ligand-protected gold clusters originate from the quantum effects of the Au atoms in the cluster core and in the oligomeric SR(AuSR) x units in the cluster shell. Homogeneous and heterogeneous reactions catalyzed by atomic gold clusters are discussed in the context of the reaction mechanism and the nature of the active

  17. Ligand-protected gold clusters: the structure, synthesis and applications

    Science.gov (United States)

    Pichugina, D. A.; Kuz'menko, N. E.; Shestakov, A. F.

    2015-11-01

    Modern concepts of the structure and properties of atomic gold clusters protected by thiolate, selenolate, phosphine and phenylacetylene ligands are analyzed. Within the framework of the superatom theory, the 'divide and protect' approach and the structure rule, the stability and composition of a cluster are determined by the structure of the cluster core, the type of ligands and the total number of valence electrons. Methods of selective synthesis of gold clusters in solution and on the surface of inorganic composites based, in particular, on the reaction of Aun with RS, RSe, PhC≡C, Hal ligands or functional groups of proteins, on stabilization of clusters in cavities of the α-, β and γ-cyclodextrin molecules (Au15 and Au25) and on anchorage to a support surface (Au25/SiO2, Au20/C, Au10/FeOx) are reviewed. Problems in this field are also discussed. Among the methods for cluster structure prediction, particular attention is given to the theoretical approaches based on the density functional theory (DFT). The structures of a number of synthesized clusters are described using the results obtained by X-ray diffraction analysis and DFT calculations. A possible mechanism of formation of the SR(AuSR)n 'staple' units in the cluster shell is proposed. The structure and properties of bimetallic clusters MxAunLm (M=Pd, Pt, Ag, Cu) are discussed. The Pd or Pt atom is located at the centre of the cluster, whereas Ag and Cu atoms form bimetallic compounds in which the heteroatom is located on the surface of the cluster core or in the 'staple' units. The optical properties, fluorescence and luminescence of ligand-protected gold clusters originate from the quantum effects of the Au atoms in the cluster core and in the oligomeric SR(AuSR)x units in the cluster shell. Homogeneous and heterogeneous reactions catalyzed by atomic gold clusters are discussed in the context of the reaction mechanism and the nature of the active sites. The bibliography includes 345 references.

  18. Magnetic properties of a Cr trimer on Au(1 1 1) surface

    International Nuclear Information System (INIS)

    Antal, A.; Udvardi, L.; Ujfalussy, B.; Lazarovits, B.; Szunyogh, L.; Weinberger, P.

    2007-01-01

    A Cr trimer on Au(1 1 1) surface has been studied by means of a relativistic Green's function embedding technique [B. Ujfalussy, B. Lazarovits, L. Szunyogh, G.M. Stocks, P. Weinberger, Phys. Rev. B 70 (2004) 100404(R)]. In terms of the magnetic force theorem we fit parameters of an extended Heisenberg model. We then solve the Landau-Lifshitz-Gilbert equations in order to find the ground-state and to study the spin-dynamical properties of the cluster

  19. Fabrication and characterization of thin films of covalently interconnected Au{sub 55} clusters; Herstellung und Charakterisierung duenner Filme aus kovalent vernetzten Au{sub 55}-Clustern

    Energy Technology Data Exchange (ETDEWEB)

    Pollmeier, K.

    2006-07-01

    The aim of the present thesis was the synthesis of novel ligands for the Au{sub 55} for the production of interconnected arrangements. First an approach could be optimized, where Au{sub 55}(PPh{sub 3}){sub 12}Cl{sub 6} on PVP was arranged on the phase boundary of water and dichloromethane, whereby the system was further chemically stabilized by addition of a phosphate containing buffer solution and the change of the polymer connected with this. The obtained cluster layers exhibited extensions of several mm{sup 2}, whereby however the layers were not completely closed. Additionally on the layers stabilized with PVP aging problems and the formation of nanocrystals resulting from this could be observed. Next it was tried to connect the gold clusters covalently together. Furthermore the preparation of octavinyldisilanolsilsesquioxane-stabilized Au{sub 55} clusters was shown. In the first performed polymerization attempts by this cluster layers of many cm{sup 2} could be produced. In a further reaction the polymerization of the gold cluster by means of vinyl-substituated triphylene phosphate was successfully performed.

  20. Properties of the gold-sulphur interface: from self-assembled monolayers to clusters.

    Science.gov (United States)

    Bürgi, Thomas

    2015-10-14

    The gold-sulphur interface of self-assembled monolayers (SAMs) was extensively studied some time ago. More recently tremendous progress has been made in the preparation and characterization of thiolate-protected gold clusters. In this feature article we address different properties of the two systems such as their structure, the mobility of the thiolates on the surface and other dynamical aspects, the chirality of the structures and characteristics related to it and their vibrational properties. SAMs and clusters are in the focus of different communities that typically use different experimental approaches to study the respective systems. However, it seems that the nature of the Au-S interfaces in the two cases is quite similar. Recent single crystal X-ray structures of thiolate-protected gold clusters reveal staple motifs characterized by gold ad-atoms sandwiched between two sulphur atoms. This finding contradicts older work on SAMs. However, newer studies on SAMs also reveal ad-atoms. Whether this finding can be generalized remains to be shown. In any case, more and more studies highlight the dynamic nature of the Au-S interface, both on flat surfaces and in clusters. At temperatures slightly above ambient thiolates migrate on the gold surface and on clusters. Evidence for desorption of thiolates at room temperature, at least under certain conditions, has been demonstrated for both systems. The adsorbed thiolate can lead to chirality at different lengths scales, which has been shown both on surfaces and for clusters. Chirality emerges from the organization of the thiolates as well as locally at the molecular level. Chirality can also be transferred from a chiral surface to an adsorbate, as evidenced by vibrational spectroscopy.

  1. Properties of the gold-sulphur interface: from self-assembled monolayers to clusters

    Science.gov (United States)

    Bürgi, Thomas

    2015-09-01

    The gold-sulphur interface of self-assembled monolayers (SAMs) was extensively studied some time ago. More recently tremendous progress has been made in the preparation and characterization of thiolate-protected gold clusters. In this feature article we address different properties of the two systems such as their structure, the mobility of the thiolates on the surface and other dynamical aspects, the chirality of the structures and characteristics related to it and their vibrational properties. SAMs and clusters are in the focus of different communities that typically use different experimental approaches to study the respective systems. However, it seems that the nature of the Au-S interfaces in the two cases is quite similar. Recent single crystal X-ray structures of thiolate-protected gold clusters reveal staple motifs characterized by gold ad-atoms sandwiched between two sulphur atoms. This finding contradicts older work on SAMs. However, newer studies on SAMs also reveal ad-atoms. Whether this finding can be generalized remains to be shown. In any case, more and more studies highlight the dynamic nature of the Au-S interface, both on flat surfaces and in clusters. At temperatures slightly above ambient thiolates migrate on the gold surface and on clusters. Evidence for desorption of thiolates at room temperature, at least under certain conditions, has been demonstrated for both systems. The adsorbed thiolate can lead to chirality at different lengths scales, which has been shown both on surfaces and for clusters. Chirality emerges from the organization of the thiolates as well as locally at the molecular level. Chirality can also be transferred from a chiral surface to an adsorbate, as evidenced by vibrational spectroscopy.

  2. Templated Atom-Precise Galvanic Synthesis and Structure Elucidation of a [Ag 24 Au(SR) 18 ] − Nanocluster

    KAUST Repository

    Bootharaju, Megalamane Siddaramappa

    2015-11-27

    Synthesis of atom-precise alloy nanoclusters with uniform composition is challenging when the alloying atoms are similar in size (for example, Ag and Au). A galvanic exchange strategy has been devised to produce a compositionally uniform [Ag24Au(SR)18]- cluster (SR: thiolate) using a pure [Ag25(SR)18]- cluster as a template. Conversely, the direct synthesis of Ag24Au cluster leads to a mixture of [Ag25-xAux(SR)18]-, x=1-8. Mass spectrometry and crystallography of [Ag24Au(SR)18]- reveal the presence of the Au heteroatom at the Ag25 center, forming Ag24Au. The successful exchange of the central Ag of Ag25 with Au causes perturbations in the Ag25 crystal structure, which are reflected in the absorption, luminescence, and ambient stability of the particle. These properties are compared with those of Ag25 and Ag24Pd clusters with same ligand and structural framework, providing new insights into the modulation of cluster properties with dopants at the single-atom level.

  3. Light controllable catalytic activity of Au clusters decorated with photochromic molecules

    Science.gov (United States)

    Guo, Na; Meng Yam, Kah; Zhang, Chun

    2018-06-01

    By ab initio calculations, we show that when decorated with a photochromic molecule, the catalytic activity of an Au nanocluster can be reversibly controlled by light. The combination of a photochromic thiol-pentacarbonyl azobenzene (TPA) molecule and an Au8 cluster is chosen as a model catalyst. The TPA molecule has two configurations (trans and cis) that can be reversibly converted to each other upon photo-excitation. Our calculations show that when the TPA takes the trans configuration, the combined system (trans-Au8) is an excellent catalyst for CO oxidation. The reaction barrier of the catalyzed CO oxidation is less than 0.4 eV. While, the reaction barrier of CO oxidation catalyzed by cis-Au8 is very high (>2.7 eV), indicating that the catalyst is inactive. These results pave the way for a new class of light controllable nanoscale catalysts.

  4. Electrochemical fabrication of clean dendritic Au supported Pt clusters for electrocatalytic oxidation of formic acid

    International Nuclear Information System (INIS)

    Xia Yue; Liu Jun; Huang Wei; Li Zelin

    2012-01-01

    Highlights: ► A smooth Au surface was rebuilt into clean dendrite via square wave potential pulses. ► It was performed in blank H 2 SO 4 solution without Au(III) species and other additives. ► Dendritic Au provided certain advantage for dispersing Pt due to its unique structure. ► Pt-decorated dendritic Au demonstrated high activity for the HCOOH electrooxidation. - Abstract: We report here the fabrication of clean dendritic gold (DG) directly on a smooth Au electrode via square wave potential pulses (SWPPs) in a blank H 2 SO 4 solution containing no Au(III) species and additives. The effects of potential range, frequency and duration time of SWPPs and H 2 SO 4 concentration on the construction of DG were systematically investigated. A possible mechanism was proposed to explain the growth of DG. The whole process was templateless and surfactantless, and therefore effectively avoided possible contaminations that occurred in other synthetic routes. Further, the prepared DG electrode functioned as a scaffold to support electrodeposited Pt clusters, producing Pt-decorated DG (Pt-DG) electrodes. The electrocatalytic properties of Pt-DG electrodes with various Pt loadings were examined for the oxidation of formic acid. The low Pt loading Pt-DG demonstrated different electrochemical behavior from that on Pt-decorated smooth gold (Pt-SG) and on Pt-decorated gold nanoparticles because there were more defect sites like steps and edges on the DG surface. Ensemble effect, as well as electronic effect, accounts for the improved electrocatalytic activity of low Pt loading Pt-DG.

  5. Electrochemical Properties of Alkanethiol Monolayers Adsorbed on Nanoporous Au Surfaces

    International Nuclear Information System (INIS)

    Chu, Yeon Yi; Seo, Bora; Kim, Jong Won

    2010-01-01

    We investigated the electrochemical properties of alkanethiol monolayers adsorbed on NPG surfaces by cyclic voltammetry and electrochemical impedance spectroscopy, and the results are compared to those on flat Au surfaces. The reductive desorption of alkanethiols on NPG surfaces is observed in more negative potential regions than that on flat Au surfaces due the stronger S-Au interaction on NPG surfaces. While the electron transfer through alkanethiol monolayers on flat Au surfaces occurs via a tunneling process through the monolayer films, the redox species can permeate through the monolayers on NPG surfaces to transfer the electrons to the Au surfaces. The results presented here will help to elucidate the intrinsic electrochemical properties of alkanethiol monolayers adsorbed on curved Au surfaces, particularly on the surface of AuNPs. Self-assembled monolayers (SAMs) of thiolate molecules on Au surfaces have been the subject of intensive research for the last few decades due to their unique physical and chemical properties. The well-organized surface structures of thiolate SAMs with various end-group functionalities can be further utilized for many applications in biology and nanotechnology. In addition to the practical applications, SAMs of thiolate molecules on Au surfaces also provide unique opportunities to address fundamental issues in surface chemistry such as self-organized surface structures, electron transfer behaviors, and moleculesubstrate interactions. Although there have been numerous reports on the fundamental physical and chemical properties of thiolate SAMs on Au surfaces, most of them were investigated on flat Au surfaces, typically on well-defined Au(111) surfaces

  6. Electronic and photovoltaic properties of Au/pyronine G(Y)/p-GaAs/Au:Zn heterojunction

    International Nuclear Information System (INIS)

    Soliman, H.S.; Farag, A.A.M.; Khosifan, N.M.; Solami, T.S.

    2012-01-01

    Highlights: ► The electrical and photovoltaic properties of thermally evaporated pyronine PYR(G) films on GaAs single crystal have been investigated. ► The photovoltaic properties of Au/PYR/GaAs/Au:Zn were investigated under illumination (20 mW/cm 2 ) through the finger mesh gold electrode. - Abstract: The electrical and photovoltaic properties of thermally vacuum deposited pyronine G(Y), PYR(G), thin films on GaAs single crystal were investigated. The current–voltage (I–V) characteristic of Au/PYR(G)/GaAs/Au:Zn heterojunction diode under dark condition was measured at different temperatures in the range 298–373 K. The device exhibits a rectifying property. The current in the prepared heterojunction was found to obey the thermionic emission model assisted by tunneling in the voltage range (0 s , shunt resistance, R sh , ideality factor, n, and the barrier height, Φ b . The variation of 1/C 2 with voltage shows a straight line at high frequency that indicates the formation of barrier between PYR(G) and GaAs and the potential barrier height is found to be 0.82 eV at room temperature (298 K). The photovoltaic properties of Au/PYR(G)/GaAs/Au:Zn heterojunction were investigated under illumination by using light intensity of 20 mW/cm 2 through the finger mesh gold electrode. The short circuit current (I sc ), open circuit voltages (V oc ), fill factor (FF) and the power conversion efficiency (η) of the device were evaluated from the I–V characteristics under illumination.

  7. Fermi surfaces properties of AuAl2, AuGa2, and AuIn2 with the CaF2-type cubic structure

    Science.gov (United States)

    Nishimura, K.; Kakihana, M.; Suzuki, F.; Yara, T.; Hedo, M.; Nakama, T.; Ōnuki, Y.; Harima, H.

    2018-05-01

    We grew high-quality single crystals of AuAl2, AuGa2, and AuIn2 with the fluorite (CaF2)-type cubic structure and determined the Fermi surface properties by the de Haas-van Alphen (dHvA) experiments using full-potential LAPW bad calculations. The Fermi surface and optical properties for three compounds were once studied from an interest of colors because AuAl2 has a striking bright reddish-purple color, whereas AuGa2 and AuIn2 are, respectively, neutral and bluish. The detected dHvA frequencies in the present study are found to be in a wide range of (0.1-13)×107 Oe. The main dHvA branches for three compounds are in excellent agreement with the theoretical ones, but some dHvA branches with small dHvA frequencies are slightly deviated from the theoretical ones, especially in AuGa2 and AuIn2.

  8. Reduced sintering of mass-selected Au clusters on SiO2 by alloying with Ti: an aberration-corrected STEM and computational study

    DEFF Research Database (Denmark)

    Niu, Yubiao; Schlexer, Philomena; Sebök, Béla

    2018-01-01

    with a reactive metal, Ti. Mass-selected Au/Ti clusters (400 000 amu) and Au2057 clusters (405 229 amu) were produced with a magnetron sputtering, gas condensation cluster beam source in conjunction with a lateral time-of-flight mass filter, deposited onto a silica support and characterised by XPS and LEIS....... The sintering dynamics of mass-selected Au and Au/Ti alloy nanoclusters were investigated in real space and real time with atomic resolution aberration-corrected HAADF-STEM imaging, supported by model DFT calculations. A strong anchoring effect was revealed in the case of the Au/Ti clusters, because of a much...

  9. Reduced sintering of mass-selected Au clusters on SiO2 by alloying with Ti: an aberration-corrected STEM and computational study

    DEFF Research Database (Denmark)

    Niu, Yubiao; Schlexer, Philomena; Sebök, Béla

    2018-01-01

    Au nanoparticles represent the most remarkable example of a size effect in heterogeneous catalysis. However, a major issue hindering the use of Au nanoparticles in technological applications is their rapid sintering. We explore the potential of stabilizing Au nanoclusters on SiO2 by alloying them...... in the Au/Ti clusters, but in line with the model computational investigation, Au atoms were still present on the surface. Thus size-selected, deposited nanoalloy Au/Ti clusters appear to be promising candidates for sustainable gold-based nanocatalysis....

  10. Dual structural transition in small nanoparticles of Cu-Au alloy

    Science.gov (United States)

    Gafner, Yuri; Gafner, Svetlana; Redel, Larisa; Zamulin, Ivan

    2018-02-01

    Cu-Au alloy nanoparticles are known to be widely used in the catalysis of various chemical reactions as it was experimentally defined that in many cases the partial substitution of copper with gold increases catalytic activity. However, providing the reaction capacity of alloy nanoparticles the surface electronic structure strongly depends on their atomic ordering. Therefore, to theoretically determine catalytic properties, one needs to use a most real structural model complying with Cu-Au nanoparticles under various external influences. So, thermal stability limits were studied for the initial L12 phase in Cu3Au nanoalloy clusters up to 8.0 nm and Cu-Au clusters up to 3.0 nm at various degrees of Au atom concentration, with molecular dynamics method using a modified tight-binding TB-SMA potential. Dual structural transition L12 → FCC and further FCC → Ih is shown to be possible under the thermal factor in Cu3Au and Cu-Au clusters with the diameter up to 3.0 nm. The temperature of the structural transition FCC → Ih is established to decrease for small particles of Cu-Au alloy under the increase of Au atom concentration. For clusters with this structural transition, the melting point is found to be a linear increasing function of concentration, and for clusters without FCC → Ih structural transition, the melting point is a linear decreasing function of Au content. Thus, the article shows that doping Cu nanoclusters with Au atoms allows to control the forming structure as well as the melting point.

  11. Density functional study of the stability and magnetic behaviour of Au{sub n}TM{sup +} clusters (TM=Au,Sc,Ti,V,Cr,Mn,Fe; 1{<=}n{<=}9)

    Energy Technology Data Exchange (ETDEWEB)

    Torres, M.B. [Dpto. de Matematicas y Computacion, Univ. de Burgos, Avda. de Cantabria s/n, 09006-Burgos (Spain); Fernandez, E.M.; Balbas, L.C. [Dpto. de Fisica Teorica, Univ. de Valladolid, Prado de la Magdalena s/n, 47011-Valladolid (Spain)

    2005-03-01

    We study the element- and size-dependent electron stability of Au{sub n}TM{sup +} clusters (TM=Sc,Ti,V,Cr,Mn,Fe,Au; 1{<=}n{<=}9) by means of first-principles density functional calculations. The interplay between the cluster atomic arrangements and their electronic and magnetic structure is investigated for the few lower energy isomeric-states in dependence of the TM-atom and its environment in the cluster. We explain the experimental magic-numbers, observed recently, as well as the trend of the impurity local magnetic moment in dependence with the size of the cluster and the position of the impurity in the host. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  12. CO Oxidation by Subnanometer AgxAu3–x Supported Clusters via Density Functional Theory Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Negreiros, Fabio R.; Sementa, Luca; Barcaro, Giovanni; Vajda, S.; Apra, Edoardo; Fortunelli, Alessandro

    2012-09-07

    The activity of AgxAu3–x/MgO(100) clusters in CO oxidation is investigated computationally via systematic sampling techniques. It is found that these subnanometer species transform after ligand adsorption into reaction complexes which catalyze CO oxidation through a variety of different mechanisms, occurring via both Langmuir–Hinshelwood and Eley–Rideal paths and in some cases directly involving the oxide support. The alloyed Ag2Au1 cluster is proposed as the best catalyst in terms of efficiency and robustness.

  13. Electronic Structure of Au25 Clusters: Between Discrete and Continuous

    KAUST Repository

    Katsiev, Khabiboulakh

    2016-07-15

    Here, an approach based on synchrotron resonant photoemission is emplyed to explore the transition between quantization and hybridization of the electronic structure in atomically precise ligand-stabilized nanoparticles. While the presence of ligands maintains quantization in Au25 clusters, their removal renders increased hybridization of the electronic states at the vicinity of the Fermi level. These observations are supported by DFT studies.

  14. Electronic Structure of Au25 Clusters: Between Discrete and Continuous

    KAUST Repository

    Katsiev, Khabiboulakh; Lozova, Nataliya; Wang, Lu; Katla, Saikrishna; Li, Ruipeng; Mei, Wai Ning; Skrabalak, Sara; Challa, Challa; Losovyj, Yaroslav

    2016-01-01

    Here, an approach based on synchrotron resonant photoemission is emplyed to explore the transition between quantization and hybridization of the electronic structure in atomically precise ligand-stabilized nanoparticles. While the presence of ligands maintains quantization in Au25 clusters, their removal renders increased hybridization of the electronic states at the vicinity of the Fermi level. These observations are supported by DFT studies.

  15. Chemically induced magnetism in atomically precise gold clusters.

    Science.gov (United States)

    Krishna, Katla Sai; Tarakeshwar, Pilarisetty; Mujica, Vladimiro; Kumar, Challa S S R

    2014-03-12

    Comparative theoretical and experimental investigations are reported into chemically induced magnetism in atomically-precise, ligand-stabilized gold clusters Au25 , Au38 and Au55 . The results indicate that [Au25 (PPh3 )10 (SC12 H25 )5 Cl2 ](2+) and Au38 (SC12 H25 )24 are diamagnetic, Au25 (SC2 H4 Ph)18 is paramagnetic, and Au55 (PPh3 )12 Cl6 , is ferromagnetic at room temperature. Understanding the magnetic properties resulting from quantum size effects in such atomically precise gold clusters could lead to new fundamental discoveries and applications. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. [Hyp-Au-Sn9(Hyp)3-Au-Sn9(Hyp)3-Au-Hyp]-: the longest intermetalloid chain compound of tin.

    Science.gov (United States)

    Binder, Mareike; Schrenk, Claudio; Block, Theresa; Pöttgen, Rainer; Schnepf, Andreas

    2017-10-12

    The reaction of the metalloid tin cluster [Sn 10 (Hyp) 4 ] 2- with (Ph 3 P)Au-SHyp (Hyp = Si(SiMe 3 ) 3 ) gave an intermetalloid cluster [Au 3 Sn 18 (Hyp) 8 ] - 1, which is the longest intermetalloid chain compound of tin to date. 1 shows a structural resemblance to binary AuSn phases, which is expected for intermetalloid clusters.

  17. Synthesis and Catalytic Properties of Au Pd Nanoflowers

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Jianguang [Department of Chemistry, Duke University; Wilson, Adria [Duke University; Howe, Jane Y [ORNL; Chi, Miaofang [ORNL; Wiley, Benjamin J [Duke University

    2011-01-01

    Reduction of Pd ions by hydroquinone in the presence of gold nanoparticles and polyvinylpyrrolidone resulted in the formation of nanoflowers with a Au core and Pd petals. Addition of HCl to the synthesis halted the reduction by hydroquinone and enabled the acquisition of snapshots of the nanoflowers at different stages of growth. TEM images of the reaction after 10 s show that the nanoflower morphology resulted from the homogeneous nucleation of Pd clusters in solution and their subsequent attachment to gold seeds coated with a thin (0.8 0.1 nm) shell of Pd. UV visible spectra also indicate Pd clusters formed in the early stages of the reaction and disappeared as the nanoflowers grew. The speed at which this reaction can be halted is useful not only for producing a variety of bimetallic nanostructures with precisely controlled dimensions and morphologies but also for understanding the growth mechanism of these structures. The ability of the AuPd core shell structure to catalyze the Suzuki coupling reaction of iodobenzene to phenylboronic acid was probed and compared against the activity of Pd nanocubes and thin-shelled AuPd core shell nanoparticles. The results of this study suggest that Suzuki coupling was not affected by the surface structure or subsurface composition of the nanoparticles, but instead was primarily catalyzed by molecular Pd species that leached from the nanostructures.

  18. Synthesis and catalytic properties of Au-Pd nanoflowers.

    Science.gov (United States)

    Xu, Jianguang; Wilson, Adria R; Rathmell, Aaron R; Howe, Jane; Chi, Miaofang; Wiley, Benjamin J

    2011-08-23

    Reduction of Pd ions by hydroquinone in the presence of gold nanoparticles and polyvinylpyrrolidone resulted in the formation of nanoflowers with a Au core and Pd petals. Addition of HCl to the synthesis halted the reduction by hydroquinone and enabled the acquisition of snapshots of the nanoflowers at different stages of growth. TEM images of the reaction after 10 s show that the nanoflower morphology resulted from the homogeneous nucleation of Pd clusters in solution and their subsequent attachment to gold seeds coated with a thin (0.8 ± 0.1 nm) shell of Pd. UV-visible spectra also indicate Pd clusters formed in the early stages of the reaction and disappeared as the nanoflowers grew. The speed at which this reaction can be halted is useful not only for producing a variety of bimetallic nanostructures with precisely controlled dimensions and morphologies but also for understanding the growth mechanism of these structures. The ability of the AuPd core-shell structure to catalyze the Suzuki coupling reaction of iodobenzene to phenylboronic acid was probed and compared against the activity of Pd nanocubes and thin-shelled AuPd core-shell nanoparticles. The results of this study suggest that Suzuki coupling was not affected by the surface structure or subsurface composition of the nanoparticles, but instead was primarily catalyzed by molecular Pd species that leached from the nanostructures. © 2011 American Chemical Society

  19. Electronic and vibrational signatures of the Au102(p-MBA)44 cluster.

    Science.gov (United States)

    Hulkko, Eero; Lopez-Acevedo, Olga; Koivisto, Jaakko; Levi-Kalisman, Yael; Kornberg, Roger D; Pettersson, Mika; Häkkinen, Hannu

    2011-03-23

    Optical absorption of a gold nanocluster of 102 Au atoms protected by 44 para-mercaptobenzoic acid (p-MBA) ligands is measured in the range of 0.05-6.2 eV (mid-IR to UV) by a combination of several techniques for purified samples in solid and solution phases. The results are compared to calculations for a model cluster Au(102)(SMe)(44) based on the time-dependent density functional theory in the linear-response regime and using the known structure of Au(102)(p-MBA)(44). The measured and calculated molar absorption coefficients in the NIR-vis region are comparable, within a factor of 2, in the absolute scale. Several characteristic features are observed in the absorption in the range of 1.5-3.5 eV. The onset of the electronic transitions in the mid-IR region is experimentally observed at 0.45 ± 0.05 eV which compares well with the lowest calculated transition at 0.55 eV. Vibrations in the ligand layer give rise to fingerprint IR features below the onset of low-energy metal-to-metal electronic transitions. Partial exchange of the p-MBA ligand to glutathione does not affect the onset of the electronic transitions, which indicates that the metal core of the cluster is not affected by the ligand exchange. The full spectroscopic characterization of the Au(102)(p-MBA)(44) reported here for the first time gives benchmarks for further studies of manipulation and functionalization of this nanocluster to various applications.

  20. Approximate treatment of semicore states in GW calculations with application to Au clusters.

    Science.gov (United States)

    Xian, Jiawei; Baroni, Stefano; Umari, P

    2014-03-28

    We address the treatment of transition metal atoms in GW electronic-structure calculations within the plane-wave pseudo-potential formalism. The contributions of s and p semi-core electrons to the self-energy, which are essential to grant an acceptable accuracy, are dealt with using a recently proposed scheme whereby the exchange components are treated exactly at the G0W0 level, whereas a suitable approximation to the correlation components is devised. This scheme is benchmarked for small gold nano-clusters, resulting in ionization potentials, electron affinities, and density of states in very good agreement with those obtained from calculations where s and p semicore states are treated as valence orbitals, and allowing us to apply this same scheme to clusters of intermediate size, Au20 and Au32, that would be otherwise very difficult to deal with.

  1. Approximate treatment of semicore states in GW calculations with application to Au clusters

    Energy Technology Data Exchange (ETDEWEB)

    Xian, Jiawei [SISSA – Scuola Internazionale Superiore di Studi Avanzati, Via Bonomea 265, I-34136 Trieste (Italy); Baroni, Stefano [SISSA – Scuola Internazionale Superiore di Studi Avanzati, Via Bonomea 265, I-34136 Trieste (Italy); CNR-IOM Democritos, Theory-Elettra group, Trieste (Italy); Umari, P., E-mail: paolo.umari@unipd.it [CNR-IOM Democritos, Theory-Elettra group, Trieste (Italy); Dipartimento di Fisica e Astronomia, Università di Padova, Via Marzolo 8, I-35131 Padova (Italy)

    2014-03-28

    We address the treatment of transition metal atoms in GW electronic-structure calculations within the plane-wave pseudo-potential formalism. The contributions of s and p semi-core electrons to the self-energy, which are essential to grant an acceptable accuracy, are dealt with using a recently proposed scheme whereby the exchange components are treated exactly at the G{sub 0}W{sub 0} level, whereas a suitable approximation to the correlation components is devised. This scheme is benchmarked for small gold nano-clusters, resulting in ionization potentials, electron affinities, and density of states in very good agreement with those obtained from calculations where s and p semicore states are treated as valence orbitals, and allowing us to apply this same scheme to clusters of intermediate size, Au{sub 20} and Au{sub 32}, that would be otherwise very difficult to deal with.

  2. Approximate treatment of semicore states in GW calculations with application to Au clusters

    International Nuclear Information System (INIS)

    Xian, Jiawei; Baroni, Stefano; Umari, P.

    2014-01-01

    We address the treatment of transition metal atoms in GW electronic-structure calculations within the plane-wave pseudo-potential formalism. The contributions of s and p semi-core electrons to the self-energy, which are essential to grant an acceptable accuracy, are dealt with using a recently proposed scheme whereby the exchange components are treated exactly at the G 0 W 0 level, whereas a suitable approximation to the correlation components is devised. This scheme is benchmarked for small gold nano-clusters, resulting in ionization potentials, electron affinities, and density of states in very good agreement with those obtained from calculations where s and p semicore states are treated as valence orbitals, and allowing us to apply this same scheme to clusters of intermediate size, Au 20 and Au 32 , that would be otherwise very difficult to deal with

  3. Potential use of SERS-assisted theranostic strategy based on Fe{sub 3}O{sub 4}/Au cluster/shell nanocomposites for bio-detection, MRI, and magnetic hyperthermia

    Energy Technology Data Exchange (ETDEWEB)

    Han, Yu; Lei, Sheng-lan [Department of Biomaterials, College of Materials, Xiamen University, Xiamen 361005 (China); Lu, Jian-hua [Department of Electronic Science, College of Physical Science and Technology, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance Research, Xiamen University, Xiamen 361005 (China); He, Yuan [Department of Biomaterials, College of Materials, Xiamen University, Xiamen 361005 (China); Chen, Zhi-wei, E-mail: chenzhiwei@xmu.edu.cn [Department of Electronic Science, College of Physical Science and Technology, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance Research, Xiamen University, Xiamen 361005 (China); Ren, Lei, E-mail: renlei@xmu.edu.cn [Department of Biomaterials, College of Materials, Xiamen University, Xiamen 361005 (China); State Key Laboratory for Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen 361005 (China); Fujian Collaborative Innovation Center for Exploitation and Utilization of Marine Biological Resources, Xiamen 361005 (China); Zhou, Xi [Department of Biomaterials, College of Materials, Xiamen University, Xiamen 361005 (China); Fujian Provincial Key Laboratory of Fire Retardant Materials, Xiamen University, Xiamen 361005 (China); Fujian Collaborative Innovation Center for Exploitation and Utilization of Marine Biological Resources, Xiamen 361005 (China)

    2016-07-01

    A surface-enhanced Raman scattering (SERS)-assisted theranostic strategy was designed based on a synthesized multifunctional Fe{sub 3}O{sub 4}/Au cluster/shell nanocomposite. This theranostic strategy was used for free prostate specific antigen (free-PSA) detection, magnetic resonance imaging (MRI), and magnetic hyperthermia. The lowest protein concentration detected was 1 ng mL{sup −1}, and the limit of detection (LOD) of the calculated PSA was 0.75 ng mL{sup −1}. Then, MRI was carried out to visualize the tumor cell. Lastly, magnetic hyperthermia was employed and revealed a favorable killing effect for the tumor cells. Thus, this SERS-assisted strategy based on a Fe{sub 3}O{sub 4}/Au cluster/shell nanocomposite showed great advantages in theranostic treatment. - Graphical abstract: Fe{sub 3}O{sub 4}/Au cluster/shell composite can be used for specific protein detection, magnetic resonance imaging and magnetic hyperthermia therapy. - Highlights: • We designed a SERS-assisted theranostic strategy based on the mutifunctional nanocomposites using gold shelled Fe{sub 3}O{sub 4} clusters. • Fe{sub 3}O{sub 4}/Au nanoparticles with theranostics and SERS for early diagnosis of PSA were reported for the first time. • The LOD of detection for PSA was lowed as 0.75 ng mL{sup −1}, and the total detection time was shorten to less than 1 h. • Fe{sub 3}O{sub 4} clusters had spin-spin (T{sub 2}) contrast enhancement and increased magnetic response. • Gold nanoshells supplied excellent chemical stability, biocompatibility, better heating property for magnetic hyperthermia.

  4. Mechanical properties and grindability of experimental Ti-Au alloys.

    Science.gov (United States)

    Takahashi, Masatoshi; Kikuchi, Masafumi; Okuno, Osamu

    2004-06-01

    Experimental Ti-Au alloys (5, 10, 20 and 40 mass% Au) were made. Mechanical properties and grindability of the castings of the Ti-Au alloys were examined. As the concentration of gold increased to 20%, the yield strength and the tensile strength of the Ti-Au alloys became higher without markedly deteriorating their ductility. This higher strength can be explained by the solid-solution strengthening of the a titanium. The Ti-40%Au alloy became brittle because the intermetallic compound Ti3Au precipitated intensively near the grain boundaries. There was no significant difference in the grinding rate and grinding ratio among all the Ti-Au alloys and the pure titanium at any speed.

  5. Electronic and magnetic properties of MnAu nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, Safi 46000 (Morocco); LMPHE (URAC 12), Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco); Hlil, E.K. [Institut Néel, CNRS et Université Joseph Fourier, BP 166, F-38042 Grenoble Cedex 9 (France); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Benyoussef, A. [LMPHE (URAC 12), Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Mounkachi, O; El moussaoui, H. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco)

    2014-03-15

    Self-consistent ab initio calculations, based on DFT (Density Functional Theory) approach and using FLAPW (Full potential Linear Augmented Plane Wave) method, are performed to investigate both electronic and magnetic properties of the MnAu nanoparticles. Polarized spin is included in calculations within the framework of the antiferromagnetic. The Mn magnetic moments where considered to be along c axes. Obtained data from ab initio calculations are used as input for the high temperature series expansions (HTSEs) calculations to compute other magnetic parameters. The zero-field high temperature static susceptibility series of the magnetic moment (m) and nearest-neighbour Heisenberg and XY models on a MnAu nanoparticles is thoroughly analyzed by means of a power series coherent anomaly method (CAM) for different nanoparticles. The exchanges interactions between the magnetic atoms are obtained for MnAu nanoparticles. - Highlights: • The electronic properties of the MnAu nanoparticles are studied using the DFT and FLAPW. • Magnetic moment is computed. • The ab initio calculations are used as input for HTSEs to compute other magnetic parameters. • The exchanges interactions and blocking temperature are obtained for MnAu nanoparticles.

  6. Electronic and magnetic properties of MnAu nanoparticles

    International Nuclear Information System (INIS)

    Masrour, R.; Hlil, E.K.; Hamedoun, M.; Benyoussef, A.; Mounkachi, O; El moussaoui, H.

    2014-01-01

    Self-consistent ab initio calculations, based on DFT (Density Functional Theory) approach and using FLAPW (Full potential Linear Augmented Plane Wave) method, are performed to investigate both electronic and magnetic properties of the MnAu nanoparticles. Polarized spin is included in calculations within the framework of the antiferromagnetic. The Mn magnetic moments where considered to be along c axes. Obtained data from ab initio calculations are used as input for the high temperature series expansions (HTSEs) calculations to compute other magnetic parameters. The zero-field high temperature static susceptibility series of the magnetic moment (m) and nearest-neighbour Heisenberg and XY models on a MnAu nanoparticles is thoroughly analyzed by means of a power series coherent anomaly method (CAM) for different nanoparticles. The exchanges interactions between the magnetic atoms are obtained for MnAu nanoparticles. - Highlights: • The electronic properties of the MnAu nanoparticles are studied using the DFT and FLAPW. • Magnetic moment is computed. • The ab initio calculations are used as input for HTSEs to compute other magnetic parameters. • The exchanges interactions and blocking temperature are obtained for MnAu nanoparticles

  7. Systematic Study of Au6 to Au12 Gold Clusters on MgO(100) F Centers Using Density-Functional Theory

    DEFF Research Database (Denmark)

    Vilhelmsen, Lasse; Hammer, Bjørk

    2012-01-01

    We present an optimized genetic algorithm used in conjunction with density-functional theory in the search for stable gold clusters and O2 adsorption ensembles in F centers at MgO(100). For Au8 the method recovers known structures and identifies several more stable ones. When O2 adsorption...

  8. Centrality dependence of bulk fireball properties in √(sNN)=200 GeV Au-Au collisions

    International Nuclear Information System (INIS)

    Rafelski, Johann; Letessier, Jean; Torrieri, Giorgio

    2005-01-01

    We explore the centrality dependence of the properties of the dense hadronic matter created in √(s NN )=200 GeV Au-Au collisions at the Relativistic Heavy Ion Collider. Using the statistical hadronization model, we fit particle yields known for 11 centrality bins. We present the resulting model parameters, rapidity yields of physical quantities, and the physical properties of bulk matter at hadronization as function of centrality. We discuss the production of strangeness and entropy

  9. Coupling between magnetic and optical properties of stable Au-Fe solid solution nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    De Julian Fernandez, C; Novak, R L; Bogani, L; Caneschi, A [INSTM RU at the Department of Chemistry of the University of Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino (Italy); Mattei, G; Mazzoldi, P [Department of Physics, CNISM and University of Padova, via Marzolo 8, 35131 Padova (Italy); Paz, E; Palomares, F J [Instituto de Ciencia de Materiales de Madrid (CSIC), Cantoblanco, 28049 Madrid (Spain); Cavigli, L, E-mail: cesar.dejulian@unifi.it [Department of Physics-LENS, University of Florence, via Sansone 1, 50019 Sesto Fiorentino (Italy)

    2010-04-23

    Au-Fe nanoparticles constitute one of the simplest prototypes of a multifunctional nanomaterial that can exhibit both magnetic and optical (plasmonic) properties. This solid solution, not feasible in the bulk phase diagram in thermal equilibrium, can be formed as a nanostructure by out-of-equilibrium processes. Here, the novel magnetic, optical and magneto-optical properties of ion-implanted Au-Fe solid solution nanoparticles dispersed in a SiO{sub 2} matrix are investigated and correlated. The surface plasmon resonance of the Au-Fe nanoparticles with almost equicomposition is strongly damped when compared to pure Au and to Au-rich Au-Fe nanoparticles. In all cases, the Au atoms are magnetically polarized, as measured by x-ray magnetic circular dichroism, and ferromagnetically coupled with Fe atoms. Although the chemical stability of Au-Fe nanoparticles is larger than that of Fe nanoparticles, both the magnetic moment per Fe atom and the order temperature are smaller. These results suggest that electronic and magnetic properties are more influenced by the hybridization of the electronic bands in the Au-Fe solid solution than by size effects. On the other hand, the magneto-optical transitions allowed in the vis-nIR spectral regions are very similar. In addition, we also observe, after studying the properties of thermally treated samples, that the Au-Fe alloy is stabilized, not by surface effects, but by the combination of the out-of-equilibrium nature of the ion implantation technique and by changes in the properties due to size effects.

  10. Coupling between magnetic and optical properties of stable Au-Fe solid solution nanoparticles

    International Nuclear Information System (INIS)

    De Julian Fernandez, C; Novak, R L; Bogani, L; Caneschi, A; Mattei, G; Mazzoldi, P; Paz, E; Palomares, F J; Cavigli, L

    2010-01-01

    Au-Fe nanoparticles constitute one of the simplest prototypes of a multifunctional nanomaterial that can exhibit both magnetic and optical (plasmonic) properties. This solid solution, not feasible in the bulk phase diagram in thermal equilibrium, can be formed as a nanostructure by out-of-equilibrium processes. Here, the novel magnetic, optical and magneto-optical properties of ion-implanted Au-Fe solid solution nanoparticles dispersed in a SiO 2 matrix are investigated and correlated. The surface plasmon resonance of the Au-Fe nanoparticles with almost equicomposition is strongly damped when compared to pure Au and to Au-rich Au-Fe nanoparticles. In all cases, the Au atoms are magnetically polarized, as measured by x-ray magnetic circular dichroism, and ferromagnetically coupled with Fe atoms. Although the chemical stability of Au-Fe nanoparticles is larger than that of Fe nanoparticles, both the magnetic moment per Fe atom and the order temperature are smaller. These results suggest that electronic and magnetic properties are more influenced by the hybridization of the electronic bands in the Au-Fe solid solution than by size effects. On the other hand, the magneto-optical transitions allowed in the vis-nIR spectral regions are very similar. In addition, we also observe, after studying the properties of thermally treated samples, that the Au-Fe alloy is stabilized, not by surface effects, but by the combination of the out-of-equilibrium nature of the ion implantation technique and by changes in the properties due to size effects.

  11. Coupling between magnetic and optical properties of stable Au-Fe solid solution nanoparticles

    Science.gov (United States)

    de Julián Fernández, C.; Mattei, G.; Paz, E.; Novak, R. L.; Cavigli, L.; Bogani, L.; Palomares, F. J.; Mazzoldi, P.; Caneschi, A.

    2010-04-01

    Au-Fe nanoparticles constitute one of the simplest prototypes of a multifunctional nanomaterial that can exhibit both magnetic and optical (plasmonic) properties. This solid solution, not feasible in the bulk phase diagram in thermal equilibrium, can be formed as a nanostructure by out-of-equilibrium processes. Here, the novel magnetic, optical and magneto-optical properties of ion-implanted Au-Fe solid solution nanoparticles dispersed in a SiO2 matrix are investigated and correlated. The surface plasmon resonance of the Au-Fe nanoparticles with almost equicomposition is strongly damped when compared to pure Au and to Au-rich Au-Fe nanoparticles. In all cases, the Au atoms are magnetically polarized, as measured by x-ray magnetic circular dichroism, and ferromagnetically coupled with Fe atoms. Although the chemical stability of Au-Fe nanoparticles is larger than that of Fe nanoparticles, both the magnetic moment per Fe atom and the order temperature are smaller. These results suggest that electronic and magnetic properties are more influenced by the hybridization of the electronic bands in the Au-Fe solid solution than by size effects. On the other hand, the magneto-optical transitions allowed in the vis-nIR spectral regions are very similar. In addition, we also observe, after studying the properties of thermally treated samples, that the Au-Fe alloy is stabilized, not by surface effects, but by the combination of the out-of-equilibrium nature of the ion implantation technique and by changes in the properties due to size effects.

  12. Transport characteristics in Au/pentacene/Au diodes

    Science.gov (United States)

    Hayashi, Toshiaki; Naka, Akiyoshi; Hiroki, Masanobu; Yokota, Tomoyuki; Someya, Takao; Fujiwara, Akira

    2018-03-01

    We have used scanning and transmission electron microscopes (SEM and TEM) to study the structure of a pentacene thin film grown on a Au layer with and shown that it consists of randomly oriented amorphous pentacene clusters. We have also investigated the transport properties of amorphous pentacene in a metal-semiconductor-metal (MSM) diode structure and shown that the current is logarithmically proportional to the square root of the applied voltage, which indicates that transport occurs as the result of hopping between localized sites randomly distributed in space and energy.

  13. Ethanol Sensing Properties of Au-functionalized NiO Nanoparticles

    International Nuclear Information System (INIS)

    Park, Sunghoon; Kheel, Hyejoon; Sun, Gun-Joo; Hyun, Soong Keun; Park, Sang Eon; Lee, Chongmu

    2016-01-01

    Pristine and Au-functionalized nickel oxide (NiO) nanoparticles were synthesized via a simple solvo thermal route and the ethanol sensing properties of multiple-networked Au-doped and undoped NiO nanoparticle sensors were examined. The pristine and Au-functionalized NiO nanoparticle sensor showed responses of 442 and 273%, respectively, to 1000 ppm of ethanol at 325 .deg. C. The Au-functionalized NiO nanoparticle sensor showed faster response than the pristine NiO counterpart, whereas the recovery time of the former was similar to that of the latter. The optimal operating temperature of the pristine and Au-functionalized NiO nanoparticles was 325 and 350 .deg. C, respectively, by Au-doping. Both the pristine and Au-functionalized NiO nanoparticle sensors showed selectivity for ethanol gas over methanol, acetone, benzene, and toluene gases. The underlying mechanism of the enhanced sensing performance of the Au-functionalized NiO nanoparticles toward ethanol might be due to modulation of the depletion layer formed around Au particles and the Schottky barriers formed at the Au-NiO junction accompanying ethanol adsorption and desorption, the spill-over effect and high catalytic activity of Au nanoparticles and the smaller diameter of the particles in the Au-functionalized NiO sensor.

  14. Ethanol Sensing Properties of Au-functionalized NiO Nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Park, Sunghoon; Kheel, Hyejoon; Sun, Gun-Joo; Hyun, Soong Keun; Park, Sang Eon; Lee, Chongmu [Inha University, Incheon (Korea, Republic of)

    2016-05-15

    Pristine and Au-functionalized nickel oxide (NiO) nanoparticles were synthesized via a simple solvo thermal route and the ethanol sensing properties of multiple-networked Au-doped and undoped NiO nanoparticle sensors were examined. The pristine and Au-functionalized NiO nanoparticle sensor showed responses of 442 and 273%, respectively, to 1000 ppm of ethanol at 325 .deg. C. The Au-functionalized NiO nanoparticle sensor showed faster response than the pristine NiO counterpart, whereas the recovery time of the former was similar to that of the latter. The optimal operating temperature of the pristine and Au-functionalized NiO nanoparticles was 325 and 350 .deg. C, respectively, by Au-doping. Both the pristine and Au-functionalized NiO nanoparticle sensors showed selectivity for ethanol gas over methanol, acetone, benzene, and toluene gases. The underlying mechanism of the enhanced sensing performance of the Au-functionalized NiO nanoparticles toward ethanol might be due to modulation of the depletion layer formed around Au particles and the Schottky barriers formed at the Au-NiO junction accompanying ethanol adsorption and desorption, the spill-over effect and high catalytic activity of Au nanoparticles and the smaller diameter of the particles in the Au-functionalized NiO sensor.

  15. Anomalous properties of technetium clusters

    International Nuclear Information System (INIS)

    Kryuchkov, S.V.

    1985-01-01

    On the basis of critical evaluation of literature data in the field of chemistry of technetium cluster compounds with ligands of a weak field a conclusion is made on specific, ''anomalous'' properties of technetium cluster complexes which consist in an increased ability of the given element to the formation of a series of binuclear and multinuclear clusters, similar in composition and structure and easily transforming in each other. The majority of technetium clusters unlike similar compounds of other elements are paramagnetic with one unpaired electron on ''metallic'' MO of loosening type. All theoretical conceptions known today on the electronic structure of technetium clusters are considered. It is pointed out, that the best results in the explanation of ''anomalous'' properties of technetium clusters can be obtained in the framework of nonempirical methods of self-consistent field taking into account configuration interactions. It is also shown, that certain properties of technetium clusters can be explained on the basis of qualitative model of Coulomb repulsion of metal atoms in clusters. The conclusion is made, that technetium position in the Periodic table, as well as recently detected technetium property to the decrease of effective charge on its atoms during M-M bond formation promote a high ability of the element to cluster formation both with weak field ligands and with strong field one

  16. Structural and optical properties of solid-state synthesized Au dendritic structures

    International Nuclear Information System (INIS)

    Gentile, A.; Ruffino, F.; Romano, L.; Boninelli, S.; Reitano, R.; Piccitto, G.; Grimaldi, M.G.

    2014-01-01

    Graphical abstract: - Highlights: • Au dendritic structures were produced on surfaces. • The chemical and structural properties of the dendritic structures are presented. • The optical properties of the dendritic structures are presented. • The ability of the dendritic structures to serve as light scattering centers is presented. - Abstract: Au dendrites (Au Ds) are synthesized, on various substrates, by a simple physical methodology involving the deposition of a thin Au film on a Si surface followed by thermal processes at high temperatures (>1273 K) in an inert ambient (N 2 ), using fast heating and cooling rates (1273 K/min). Microscopic analyses reveal the evolution, thanks to the thermal processes, of the Au film from a continuous coating to dendritic structures covering the entire sample surface. In particular, transmission electron microscopy analyses indicate that, below the Au surface, the dendritic structures consist of Si atoms originating from the substrate. Furthermore, optical characterizations reveal the ability of the Au Ds to serve as scattering centers in the infrared region. Finally, on the basis of the experimental observations, a phenomenological model for the growth of the Au Ds is proposed

  17. The influence of internal degrees of freedom on the unimolecular decay of the molecule-cluster compound Au8+CH3OH

    Science.gov (United States)

    Vogel, M.; Hansen, K.; Herlert, A.; Schweikhard, L.; Walther, C.

    2002-06-01

    Time-resolved photodissociation measurements of the sequential reaction Au8+CH3OH→Au8+→Au7+ and the direct reaction Au8+→Au7+ have been performed for several excitation energies. The production rates and yields of the final state Au7+ in the sequential process are strongly influenced by the excitation energy deposited into the evaporated methanol molecule during the initial fragmentation step. Both the rate constants and yields can be fitted with a single parameter, the cluster-methanol binding energy.

  18. Electronic Absorption and MCD Spectra for Pd(AuPPh(3))(8)(2+), Pt(AuPPh(3))(8)(2+), and Related Platinum-Centered Gold Cluster Complexes.

    Science.gov (United States)

    Adrowski, Michael J.; Mason, W. Roy

    1997-03-26

    Electronic absorption and 7.0 T magnetic circular dichroism (MCD) spectra in the UV-vis region, 1.6 to approximately 4.0 &mgr;m(-)(1) (1 &mgr;m(-)(1) = 10(4) cm(-)(1)) are reported for [Pd(AuPPh(3))(8)](NO(3))(2) and [Pt(AuPPh(3))(8)](NO(3))(2) in acetonitrile solutions at room temperature. The MCD spectra are better resolved than the absorption spectra and consist of both A and B terms. The spectra are interpreted in terms of D(4)(d)() skeletal geometry and MO's that are approximated by 5s and 6s orbitals for Pd and Pt/Au atoms, respectively. The lowest energy excited configurations and states are attributed to intraframework (IF) Au(8)(2+) transitions. Evidence is also presented for Pt 5d --> Au 6s transitions in the MCD spectra for Pt(AuPPh(3))(8)(2+). Acetonitrile solution absorption and MCD spectra for the related Pt-centered cluster complexes [Pt(CO)(AuPPh(3))(8)](NO(3))(2), [Pt(AuP(p-tolyl)(3))(8)](NO(3))(2), [Pt(CuCl)(AuPPh(3))(8)](NO(3))(2), [Pt(AgNO(3))(AuPPh(3))(8)](NO(3))(2), [Pt(Hg)(2)(AuPPh(3))(8)](NO(3))(2), [Pt(HgCl)(2)(AuPPh(3))(8)](BF(4))(2), and [Pt(HgNO(3))(2)(AuPPh(3))(8)](BF(4))(2) are also reported and interpreted within the context of the model developed for the M(AuPPh(3))(8)(2+) complexes.

  19. Tuning the chemical activity through PtAu nanoalloying: a first principles study

    KAUST Repository

    Mokkath, Junais Habeeb

    2013-06-21

    The electronic structure and adsorption properties of 1.5 nm sized Pt, Au, and PtAu nanoclusters are studied by density functional theory. We explain the recent experimental finding that 20% Au content in PtAu nanoparticles is optimal to induce a dramatically different catalytic behavior. Our results show that the d-band center together with the density of states at the Fermi energy can be used as an indicator of the chemical activity of PtAu nanoclusters. The most favorable adsorption sites on the cluster surfaces as a function of the Pt/Au ratio are identified using atomic H as a probe.

  20. Tuning the chemical activity through PtAu nanoalloying: a first principles study

    KAUST Repository

    Mokkath, Junais Habeeb; Schwingenschlö gl, Udo

    2013-01-01

    The electronic structure and adsorption properties of 1.5 nm sized Pt, Au, and PtAu nanoclusters are studied by density functional theory. We explain the recent experimental finding that 20% Au content in PtAu nanoparticles is optimal to induce a dramatically different catalytic behavior. Our results show that the d-band center together with the density of states at the Fermi energy can be used as an indicator of the chemical activity of PtAu nanoclusters. The most favorable adsorption sites on the cluster surfaces as a function of the Pt/Au ratio are identified using atomic H as a probe.

  1. Developing an aqueous approach for synthesizing Au and M@Au (M = Pd, CuPt) hybrid nanostars with plasmonic properties

    Science.gov (United States)

    Du, Jingshan; Yu, Junjie; Xiong, Yalin; Lin, Zhuoqing; Zhang, Hui; Yang, Deren

    Anisotropic Au nanoparticles show unique localized surface plasmon resonance (LSPR) properties, which make it attractive in optical, sensing, and biomedical applications. In this contribution, we report a general and facile strategy towards aqueous synthesis of Au and M@Au (M = Pd, CuPt) hybrid nanostars by reducing HAuCl4 with ethanolamine in the presence of cetyltrimethylammonium bromide (CTAB). According to electron microscopic observation and spectral monitoring, we found that the layered epitaxial growth mode (i.e., Frank-van der Merwe mechanism) contributes to the enlargement of the core, while, the random attachment of Au nanoclusters onto the cores accounts for the formation of the branches. Both of them are indispensable for the formation of the nanostars. The LSPR properties of the Au nanoparticles have been well investigated with morphology control via precursor amount and growth temperature. The Au nanostars showed improved surface-enhanced Raman spectroscopy (SERS) performance for rhodamine 6G due to their sharp edges and tips, which were therefore confirmed as good SERS substrate to detect trace amount of molecules.

  2. Magnetic cluster mean-field description of spin glasses in amorphous La-Gd-Au alloys

    International Nuclear Information System (INIS)

    Poon, S.J.; Durand, J.

    1978-03-01

    Bulk magnetic properties of splat-cooled amorphous alloys of composition La/sub 80-x/Gd/sub x/Au 20 (0 less than or equal to x less than or equal to 80) were studied. Zero-field susceptibility, high-field magnetization (up to 75 kOe) and saturated remanence were measured between 1.8 and 290 0 K. Data were analyzed using a cluster mean-field approximation for the spin-glass and mictomagnetic alloys (x less than or equal to 56). Mean-field theories can account for the experimental freezing-temperatures of dilute spin-glasses in which the Ruderman-Kittel-Kasuya-Yosida interaction is dominant. For the dilute alloys, the role of amorphousness on the magnetic interactions is discussed. By extending the mean-field approximation, the concentrated spin-glasses are represented by rigid ferromagnetic clusters as individual spin-entities interacting via random forces. Scaling laws for the magnetization M and saturation remanent magnetization M/sub rs/ are obtained and presented graphically for the x less than or equal to 32 alloys in which M/x = g(H/x*, T/x), M/sub rs/(T)/x = M/sub rs/(0)/x/ exp (-α*T/x/sup p/) where x* is the concentration of clusters, α* is a constant, and p is the freezing-temperature exponent given by T/sub M/ infinity x/sup p/. It is found that p = 1 and 1.3 for the regions 4 less than or equal to x less than or equal to 40 respectively. An attempt is also made to account for the freezing temperatures of concentrated spin glasses. The strength of the interaction among clusters is determined from high-field magnetization measurements using the Larkin-Smith method modified for clusters. It is shown that for the x < 24 alloys, the size of the clusters can be correlated to the structural short-range order in the amorphous state. More concentrated alloys are marked by the emergence of cluster percolation

  3. The Electronic and Optical Properties of Au Doped Single-Layer Phosphorene

    Science.gov (United States)

    Zhu, Ziqing; Chen, Changpeng; Liu, Jiayi; Han, Lu

    2018-01-01

    The electronic properties and optical properties of single and double Au-doped phosphorene have been comparatively investigated using the first-principles plane-wave pseudopotential method based on density functional theory. The decrease from direct band gap 0.78 eV to indirect band gap 0.22 and 0.11 eV are observed in the single and double Au-doped phosphorene, respectively. The red shifts of absorbing edge occur in both doped systems, which consequently enhance the absorbing of infrared light in phosphorene. Band gap engineering can, therefore, be used to directly tune the optical absorption of phosphorene system by substitutional Au doping.

  4. Boosting the performance of Pt electro-catalysts toward formic acid electro-oxidation by depositing sub-monolayer Au clusters

    International Nuclear Information System (INIS)

    Bi Xuanxuan; Wang Rongyue; Ding Yi

    2011-01-01

    Highlights: → Au decoration on Pt nanoparticles simultaneously increases the activity and stability. → Sub-monolayer Au decoration changes the reaction path and results in the activity improvement. → Increasing the Au coverage will increase the specific activity. → Proper Au coverage results in a maximum mass specific activity. - Abstract: CO poisoning is the main obstacle to the application of Pt nanoparticles as anode catalysts in direct formic acid fuel cells (DFAFCs). Significant types of Pt alloys have been investigated, which often demonstrate evidently improved catalytic performance governed by difference mechanisms. By using a well-known electrochemical technique of under potential deposition and in situ redox replacement, sub-monolayer Au clusters are deposited onto Pt nanoparticle surfaces in a highly controlled manner, generating a unique surface alloy structure. Under optimum conditions, the modified Pt nanoparticles can exhibit greatly enhanced specific activity (up to 23-fold increase) at potential of -0.2 V vs. MSE toward formic acid electro-oxidation (FAEO). Interestingly, the mass specific activity can also be improved by a factor of 2.3 at potential of -0.35 V vs. MSE although significant amount of surface Pt atoms are covered by the overlayer Au clusters. The much enhanced catalytic activity can be ascribed to a Pt surface ensemble effect, which induces change of the reaction path. Moreover, the sub-monolayer Au coating on the surface also contributes to the enhanced catalyst durability by inhibiting the Pt oxidation. These results show great potential to rationally design more active and stable nanocatalysts by modifying the Pt surface with otherwise inactive materials.

  5. Spin magnetic moments from single atoms to small Cr clusters

    Energy Technology Data Exchange (ETDEWEB)

    Boeglin, C.; Decker, R.; Bulou, H.; Scheurer, F.; Chado, I. [IPCMS-GSI - UMR 7504, 67037 Strasbourg Cedex (France); Ohresser, P. [LURE, 91405 Orsay (France); Dhesi, S.S. [ESRF, BP 220, 38043 Grenoble Cedex (France); Present permanent address: Diamond Light Source, Chilton, Didcot OX11 0QX (United Kingdom); Gaudry, E. [LMCP, 4, place Jussieu, 75252 Paris (France); Lazarovits, B. [CCMS, T.U. Vienna, Gumpendorfstr. 1a, 1060 Wien (Austria)

    2005-07-01

    Morphology studies at the first stages of the growth of Cr/Au(111) are reported and compared to the magnetic properties of the nanostructures. We analyze by Scanning Tunneling Microscopy and Low Energy Electron Diffraction the Cr clusters growth between 200 K and 300 K. In the early stages of the growth the morphology of the clusters shows monoatomic high islands located at the kinks of the herringbone reconstructed Au(111) surface. By X-ray Magnetic Circular Dichroism performed on the Cr L{sub 2,3} edges it is shown that the temperature dependent morphology strongly influences the magnetic properties of the Cr clusters. We show that in the sub-monolayer regime Cr clusters are antiferromagnetic and paramagnetic when the size reaches the atomic limit. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

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

    Science.gov (United States)

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

    1999-11-01

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

  7. Developing an aqueous approach for synthesizing Au and M@Au (M = Pd, CuPt) hybrid nanostars with plasmonic properties

    OpenAIRE

    Du, Jingshan; Yu, Junjie; Xiong, Yalin; Lin, Zhuoqing; Zhang, Hui; Yang, Deren

    2014-01-01

    Anisotropic Au nanoparticles show unique localized surface plasmon resonance (LSPR) properties, which make it attractive in optical, sensing, and biomedical applications. In this contribution, we report a general and facile strategy towards aqueous synthesis of Au and M@Au (M = Pd, CuPt) hybrid nanostars by reducing HAuCl4 with ethanolamine in the presence of cetyltrimethylammonium bromide (CTAB). According to electron microscopic observation and spectral monitoring, we found that the layered...

  8. Magnetic properties of Ni/Au core/shell studied by Monte Carlo simulations

    Energy Technology Data Exchange (ETDEWEB)

    Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, Sidi Bouzid, Safi, 63 4600 (Morocco); LMPHE (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Av. Ibn Batouta, B.P. 1014, Rabat (Morocco); Bahmad, L. [LMPHE (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Av. Ibn Batouta, B.P. 1014, Rabat (Morocco); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Benyoussef, A. [LMPHE (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Av. Ibn Batouta, B.P. 1014, Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Hlil, E.K. [Institut Néel, CNRS et Université Joseph Fourier, BP 166, F-38042 Grenoble cedex 9 (France)

    2014-01-10

    The magnetic properties of ferromagnetic Ni/Au core/shell have been studied using Monte Carlo simulations within the Ising model framework. The considered Hamiltonian includes the exchange interactions between Ni–Ni, Au–Au and Ni–Au and the external magnetic field. The thermal total magnetizations and total magnetic susceptibilities of core/shell Ni/Au are computed. The critical temperature is deduced. The exchange interaction between Ni and Au atoms is obtained. In addition, the total magnetizations versus the external magnetic field and crystal filed for different temperature are also established.

  9. Physical Properties Of Some Pd-Au-Ag Ternary Alloys: A Md Study

    International Nuclear Information System (INIS)

    Aydin, G.

    2010-01-01

    Mechanical properties of palladium (Pd), gold (Au) and silver (Ag) and their ternary alloys in the following concentrations (Au 5 0Ag 2 5Pd 2 5, Au 4 0Ag 2 0Pd 4 0) are studied by using by using molecular dynamics with Quantum Sutton-Chen (Q-SC) potential. Cell constants, densities, enthalpies, elastic constants and heat capacities are investigated. Calculations are performed in the solid phase. Rafii-Tabar combination rules are used and it is showed that these combination rules are valid for ternary alloys also. Additionally, temperature dependence of mechanical properties of alloys are investigated.

  10. Central Au on Au collisions

    Energy Technology Data Exchange (ETDEWEB)

    Alard, J.P.; Amouroux, V. [Labo de Phys. Corp., IN2P3-CRNS, Univ. Blaise Pascal, Clermont-Fd. (France); Basrak, Z. [Rudjer Boskovic Institute, Zagreb (Croatia)] [and others; FOPI-Collaboration

    1995-02-06

    In nucleus-nucleus collisions the initial relative kinetic energy of target and projectile is available for internal excitation of the interacting system; it is however still not well established to what extent local equilibrium and thermalisation occur. Local equilibrium is of interest to derive, within the formalism of transport equations and of the equation of state, (EOS), general properties of compressed and excited nuclear matter. Such approach describes in relatively simple terms the complex many body interactions occuring within extended baryonic and hadronic (or quark) matter. For a basic microscopic understanding it is highly desirable to investigate the elementary in-medium interactions in relation to the free elementary processes. Excitation function measurements of central collisions between the heaviest available nuclei (like Au on Au), supply the best ground for such studies: the highest degree of thermalisation and compression is expected for such reactions. The consideration presented here of energy thermalisation and of an expanding system clusterizing at freeze-out in a situation close to the liquid gas phase transition can be of interest to astrophysics as well as to the quark gluon plasma deconfinement studied in nucleus-nucleus collisions at the higher energy regime of CERN and Brookhaven. (orig.).

  11. Controlled growth of Au nanoparticles in co-evaporated metal/polymer composite films and their optical and electrical properties

    Science.gov (United States)

    Takele, H.; Schürmann, U.; Greve, H.; Paretkar, D.; Zaporojtchenko, V.; Faupel, F.

    2006-02-01

    Nanocomposite films containing Au nanoparticles embedded in a polymer matrix were prepared by vapour phase co-deposition of Au and polymers (Teflon AF and Poly(α -methylstyrene)) in high vacuum. The microstructure of the composite materials as well as metal content strongly depend on the condensation coefficient of the Au atoms, the deposition rates of the components, the substrate temperature, and the type of polymer matrix. The condensation coefficient, which varies between 0.03 and 1, was determined from energy dispersive X-ray spectrometer (EDX) and surface profilometry. It is shown that the microstructure of nanocomposites (size, size distribution, and interparticle separation of metal clusters), which was determined by transmission electron microscopy, can be controlled by the deposition parameters and the choice of polymer matrix. The optical absorption in the visible region due to the particle plasmon resonance has a strong dependence on the metal filling factor. The correlation between the microstructure of nanocomposites and optical properties, studied using UV-Vis spectroscopy, was also established. Further more, the electrical properties of the composites were studied as a function of the metal volume fraction. It was observed that the nanocomposite films exhibit a percolation threshold at a metal volume fraction of 0.43 and 0.20 for gold nanoclusters in Teflon AF and Poly(α-methylstyrene), respectively.

  12. Fluorescence Imaging Assisted Photodynamic Therapy Using Photosensitizer-Linked Gold Quantum Clusters.

    Science.gov (United States)

    Nair, Lakshmi V; Nazeer, Shaiju S; Jayasree, Ramapurath S; Ajayaghosh, Ayyappanpillai

    2015-06-23

    Fluorescence imaging assisted photodynamic therapy (PDT) is a viable two-in-one clinical tool for cancer treatment and follow-up. While the surface plasmon effect of gold nanorods and nanoparticles has been effective for cancer therapy, their emission properties when compared to gold nanoclusters are weak for fluorescence imaging guided PDT. In order to address the above issues, we have synthesized a near-infrared-emitting gold quantum cluster capped with lipoic acid (L-AuC with (Au)18(L)14) based nanoplatform with excellent tumor reduction property by incorporating a tumor-targeting agent (folic acid) and a photosensitizer (protoporphyrin IX), for selective PDT. The synthesized quantum cluster based photosensitizer PFL-AuC showed 80% triplet quantum yield when compared to that of the photosensitizer alone (63%). PFL-AuC having 60 μg (0.136 mM) of protoporphyrin IX was sufficient to kill 50% of the tumor cell population. Effective destruction of tumor cells was evident from the histopathology and fluorescence imaging, which confirm the in vivo PDT efficacy of PFL-AuC.

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-01-05

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

  15. Is the largest aqueous gold cluster a superatom complex? Electronic structure & optical response of the structurally determined Au146(p-MBA)57.

    Science.gov (United States)

    López-Lozano, Xóchitl; Plascencia-Villa, G; Calero, G; Whetten, R L; Weissker, Hans-Christian

    2017-12-07

    The new water-soluble gold cluster Au 146 (p-MBA) 57 , the structure of which has been recently determined at sub-atomic resolution by Vergara et al., is the largest aqueous gold cluster ever structurally determined and likewise the smallest cluster with a stacking fault. The core presents a twinned truncated octahedron, while additional peripheral gold atoms follow a C 2 rotational symmetry. According to the usual counting rules of the superatom complex (SAC) model, the compound attains a number of 92 SAC electrons if the overall net charge is 3- (three additional electrons). As this is the number of electrons required for a major shell closing, the question arises of whether Au 146 (p-MBA) 57 should be regarded as a superatom complex. Starting from the experimental coordinates we have analyzed the structure using density-functional theory. The optimized (relaxed) structure retains all the connectivity of the experimental coordinates, while removing much of its irregularities in interatomic distances, thereby enhancing the C 2 -symmetry feature. On analyzing the angular-momentum-projected states, we show that, despite a small gap, the electronic structure does not exhibit SAC model character. In addition, optical absorption spectra are found to be relatively smooth compared to the example of the Au 144 (SR) 60 cluster. The Au 146 (SR) 57 does not derive its stability from SAC character; it cannot be considered as a superatom complex.

  16. Thermoelectric properties of currently available Au/Pt thermocouples related to the valid reference function

    Directory of Open Access Journals (Sweden)

    Edler F.

    2015-01-01

    Full Text Available Au/Pt thermocouples are considered to be an alternative to High Temperature Standard Platinum Resistance Thermometers (HTSPRTs for realizing temperatures according to the International Temperature Scale of 1990 (ITS-90 in the temperature range between aluminium (660.323 °C and silver (961.78 °C. The original aim of this work was to develop and to validate a new reference function for Au/Pt thermocouples which reflects the properties of presently commercially available Au and Pt wires. The thermoelectric properties of 16 Au/Pt thermocouples constructed at different National Metrological Institutes by using wires from different suppliers and 4 commercially available Au/Pt thermocouples were investigated. Most of them exhibit significant deviations from the current reference function of Au/Pt thermocouples caused by the poor performance of the Au-wires available. Thermoelectric homogeneity was investigated by measuring immersion profiles during freezes at the freezing point of silver and in liquid baths. The thermoelectric inhomogeneities were found to be one order of magnitude larger than those of Au/Pt thermocouples of the Standard Reference Material® (SRM® 1749. The improvement of the annealing procedure of the gold wires is a key process to achieve thermoelectric homogeneities in the order of only about (2–3 mK, sufficient to replace the impracticable HTSPRTs as interpolation instruments of the ITS-90. Comparison measurements of some of the Au/Pt thermocouples against a HTSPRT and an absolutely calibrated radiation thermometer were performed and exhibit agreements within the expanded measurement uncertainties. It has been found that the current reference function of Au/Pt thermocouples reflects adequately the thermoelectric properties of currently available Au/Pt thermocouples.

  17. Manipulating the optical properties of dual implanted Au and Zn nanoparticles in sapphire

    Science.gov (United States)

    Epie, E. N.; Scott, D.; Chu, W. K.

    2017-11-01

    We have synthesized and manipulated the optical properties of metallic nanoparticles (NPs) by using a combination of low-energy high-fluence dual implantation and thermal annealing. We demonstrated that by implanting Zn before Au, the resulting absorption peak is enormously blue-shifted by 120 nm with respect to that of Au-only implanted samples. This magnitude of optical shift is not characteristic of unalloyed Au and to the best of our knowledge cannot be attributed to NP size change alone. On the other hand, the absorption peak for samples implanted with Au followed by Zn is blue-shifted about 20 nm. Additionally, by carefully annealing all implanted samples, both NP size distribution and corresponding optical properties can be further modified in a controlled manner. We attribute these behaviours to nanoalloy formation. This work provides a direct method for synthesizing and manipulating both the plasmonic and structural properties of metallic alloy NP in various transparent dielectrics for diverse applications.

  18. Cyanide leaching of Au/CeO2: highly active gold clusters for 1,3-butadiene hydrogenation

    NARCIS (Netherlands)

    Guan, Y.; Hensen, E.J.M.

    2009-01-01

    Ceria-supported gold catalysts before and after leaching by NaCN were investigated by X-ray absorption spectroscopy at the Au LIII edge. After gold leaching, isolated gold cations remain in close interaction with the support. These ions form an ideal precursor to very small clusters of a few gold

  19. Structural, electronic and magnetic properties of Au-based monolayer derivatives in honeycomb structure

    Energy Technology Data Exchange (ETDEWEB)

    Kapoor, Pooja, E-mail: pupooja16@gmail.com; Sharma, Munish; Ahluwalia, P. K. [Physics Department, Himachal Pradesh University, Shimla, Himachal Pradesh, India 171005 (India); Kumar, Ashok [Centre for Physical Sciences, School of Basic and Applied Sciences, Central University of Punjab, Bathinda, India, 151001 (India)

    2016-05-23

    We present electronic properties of atomic layer of Au, Au{sub 2}-N, Au{sub 2}-O and Au{sub 2}-F in graphene-like structure within the framework of density functional theory (DFT). The lattice constant of derived monolayers are found to be higher than the pristine Au monolayer. Au monolayer is metallic in nature with quantum ballistic conductance calculated as 4G{sub 0}. Similarly, Au{sub 2}-N and Au{sub 2}-F monolayers show 4G{sub 0} and 2G{sub 0} quantum conductance respectively while semiconducting nature with calculated band gap of 0.28 eV has been observed for Au{sub 2}-O monolayer. Most interestingly, half metalicity has been predicted for Au{sub 2}-N and Au{sub 2}-F monolayers. Our findings may have importance for the application of these monolayers in nanoelectronic and spintronics.

  20. Photoemission on gold-55-clusters derived from gold-phosphine AuP(C6H5)3Cl

    International Nuclear Information System (INIS)

    Quinten, M.; Sander, I.; Steiner, P.; Kreibig, U.; Fauth, K.; Schmid, G.

    1991-01-01

    We measured XPS and UPS spectra of gold clusters with 55 atoms, embedded in an electrically isolating phosphine matrix, and of gold-phosphine, from which the clusters were chemically derived. Compared to the spectra of bulk gold the valence band spectrum and the core level spectra of the clusters showed shifts of the peaks and the fermi level to higher binding energies. The shift of the peaks could qualitatively be interpreted by a final state effect. We succeeded in a separation of bulk and surface contributions to the core level spectra and in a reasonable quantitative analysis of the valence band spectrum of the clusters. The Au 4f core level spectrum of gold-phosphine showed two peaks at 1.5 eV higher binding energies than the corresponding peaks of the clusters. (orig.)

  1. THE MASSIVE PROTOSTELLAR CLUSTER NGC 6334I AT 220 au RESOLUTION: DISCOVERY OF FURTHER MULTIPLICITY, DIVERSITY, AND A HOT MULTI-CORE

    Energy Technology Data Exchange (ETDEWEB)

    Brogan, C. L.; Hunter, T. R.; Indebetouw, R. [NRAO, 520 Edgemont Rd, Charlottesville, VA 22903 (United States); Cyganowski, C. J. [SUPA, School of Physics and Astronomy, University of St. Andrews, North Haugh, St. Andrews KY16 9SS (United Kingdom); Chandler, C. J. [NRAO, P.O. Box 0, Socorro, NM 87801 (United States); Friesen, R., E-mail: cbrogan@nrao.edu [Dunlap Institute for Astronomy and Astrophysics, University of Toronto, Toronto, Ontario, M5S 3H4 (Canada)

    2016-12-01

    We present Very Large Array and Atacama Large Millimeter/submillimeter Array imaging of the deeply embedded protostellar cluster NGC 6334I from 5 cm to 1.3 mm at angular resolutions as fine as 0.″17 (220 au). The dominant hot core MM1 is resolved into seven components at 1.3 mm, clustered within a radius of 1000 au. Four of the components have brightness temperatures >200 K, radii ∼300 au, minimum luminosities ∼10{sup 4} L {sub ⊙}, and must be centrally heated. We term this new phenomenon a “hot multi-core.” Two of these objects also exhibit compact free–free emission at longer wavelengths, consistent with a hypercompact H ii region (MM1B) and a jet (MM1D). The spatial kinematics of the water maser emission centered on MM1D are consistent with it being the origin of the high-velocity bipolar molecular outflow seen in CO. The close proximity of MM1B and MM1D (440 au) suggests a proto-binary or a transient bound system. Several components of MM1 exhibit steep millimeter spectral energy distributions indicative of either unusual dust spectral properties or time variability. In addition to resolving MM1 and the other hot core (MM2) into multiple components, we detect five new millimeter and two new centimeter sources. Water masers are detected for the first time toward MM4A, confirming its membership in the protocluster. With a 1.3 mm brightness temperature of 97 K coupled with a lack of thermal molecular line emission, MM4A appears to be a highly optically thick 240  L {sub ⊙} dust core, possibly tracing a transient stage of massive protostellar evolution. The nature of the strongest water maser source CM2 remains unclear due to its combination of non-thermal radio continuum and lack of dust emission.

  2. The study of magnetic properties and relaxation processes in Co/Au bimetallic nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Hrubovčák, Pavol [Department of Condensed Matter Physics, P.J. Šafárik University, Park Angelinum 9, Košice (Slovakia); Zeleňáková, Adriana, E-mail: adriana.zelenakova@upjs.sk [Department of Condensed Matter Physics, P.J. Šafárik University, Park Angelinum 9, Košice (Slovakia); Zeleňák, Vladimir [Department of Inorganic Chemistry, P.J. Šafárik University, Moyzesova 11, Košice (Slovakia); Kováč, Jozef [Institute of Experimental Physics, SAS, Watsonova 41, Košice (Slovakia)

    2015-11-15

    Co/Au bimetallic fine nanoparticles were prepared employing the method of microemulsion using reverse micelle as nanoreactor, controlling the particles size. Magnetic and structural properties of two different samples Co/Au1 and Co/Au2 with almost comparable size of Co core and different size of Au layer were studied. The investigation of magnetic relaxation processes present in the particles was carried out by means of ac and dc magnetization data obtained at different temperatures and magnitudes of magnetic field. We observed the existence of superspin glass state characterized by the strong inter-particle interactions in the nanoparticle systems. In this paper, we discuss the attributes of novel superspin glass magnetic state reflected on various features (saturated FC magnetization at low temperatures, shift of the Cole–Cole arc downwards) and calculated parameters (relaxation time, critical exponent zv ∼ 10 and frequency dependent criterion p < 0.05). Comparison of the magnetic properties of two studied samples show that the thickness of diamagnetic Au shell significantly influences the magnetic interactions and change the relaxation dynamics. - Highlights: • Co/Au fine nanoparticles prepared by reverse micelle as nanoreactor, controlling the size. • Existence of superspin glass state confirmed from ac magnetic susceptibility study. • Individual particles exhibit the collective behavior below glass temperature T{sub SSG}. • Influence of diamagnetic shell on the magnetic properties of core–shell nanoparticles.

  3. Binding motif of terminal alkynes on gold clusters.

    Science.gov (United States)

    Maity, Prasenjit; Takano, Shinjiro; Yamazoe, Seiji; Wakabayashi, Tomonari; Tsukuda, Tatsuya

    2013-06-26

    Gold clusters protected by terminal alkynes (1-octyne (OC-H), phenylacetylene (PA-H) and 9-ethynyl-phenanthrene (EPT-H)) were prepared by the ligand exchange of small (diameter alkynes on Au clusters was investigated using various spectroscopic methods. FTIR and Raman spectroscopy revealed that terminal hydrogen is lost during the ligand exchange and that the C≡C bond of the alkynyl group is weakened upon attachment to the Au clusters. Acidification of the water phase after the ligand exchange indicated that the ligation of alkynyl groups to the Au clusters proceeds via deprotonation of the alkynes. A series of precisely defined Au clusters, Au34(PA)16, Au54(PA)26, Au30(EPT)13, Au35(EPT)18, and Au(41-43)(EPT)(21-23), were synthesized and characterized in detail to obtain further insight into the interfacial structures. Careful mass analysis confirmed the ligation of the alkynes in the dehydrogenated form. An upright configuration of the alkynes on Au clusters was suggested from the Au to alkyne ratios and photoluminescence from the excimer of the EPT ligands. EXAFS analysis implied that the alkynyl carbon is bound to bridged or hollow sites on the cluster surface.

  4. Superconductivity, spin-glass properties, and ferromagnetism in amorphous La--Gd--Au alloys

    International Nuclear Information System (INIS)

    Poon, S.J.

    1978-01-01

    The superconducting and magnetic properties of splat cooled amorphous alloys of composition (La/sub 100-x/Gd/sub x/) 80 Au 20 (0 equal to or less than x equal to or less than 100) have been studied. The La 80 Au 20 alloys are ideal type II superconductors (critical temperature T/sub c/ = 3.5 0 K). The concentration range (x 80 Au 20 . The results are compared with recent theories on amorphous magnetism

  5. DFT study on stability and H2 adsorption activity of bimetallic Au79−nPdn (n = 1–55) clusters

    International Nuclear Information System (INIS)

    Liu, Xuejing; Tian, Dongxu; Meng, Changgong

    2013-01-01

    Highlights: ► Stability of Pd substitution type is face > mid-edge > corner > edge. ► H 2 adsorption activity is in contrast with the stability of Pd substitution type. ► Non-activated dissociation of H 2 occurs in Au 36 Pd 43−3 with high thermal stability. ► ε d agrees with that Pd at edge and corner are more active than face and mid-edge. - Abstract: The stability and H 2 adsorption activity of bimetallic Au 79−n Pd n (n = 1–55) clusters were studied by density functional theory with GGA-PW91 functional. The stability order for four Pd substitution types is face > mid-edge > corner > edge, and the stability is improved with increasing Pd content. In contrast with the stability order, H 2 adsorption activity is corner ≈ edge > mid-edge > face. The Au 36 Pd 43 (3) with Au:Pd ≈ 1:1 ratio and twenty-four Pd substitutions at (1 1 1) facets and nineteen Pd substitutions at subshell sites shows high stability and H 2 non-activated dissociation activity. The partial density of d-states and d band center revealed that the electronic properties are closely associated with the geometric characteristic and adsorption activity. Correlating the d band center ε d and the adsorption energies, the ε d order agrees with the adsorption activity that the Pd substitution at edge and corner sites are more active than at face and mid-edge sites

  6. Gold cluster carbonyls: saturated adsorption of CO on gold cluster cations, vibrational spectroscopy, and implications for their structures.

    Science.gov (United States)

    Fielicke, André; von Helden, Gert; Meijer, Gerard; Pedersen, David B; Simard, Benoit; Rayner, David M

    2005-06-15

    We report on the interaction of carbon monoxide with cationic gold clusters in the gas phase. Successive adsorption of CO molecules on the Au(n)(+) clusters proceeds until a cluster size specific saturation coverage is reached. Structural information for the bare gold clusters is obtained by comparing the saturation stoichiometry with the number of available equivalent sites presented by candidate structures of Au(n)(+). Our findings are in agreement with the planar structures of the Au(n)(+) cluster cations with n < or = 7 that are suggested by ion mobility experiments [Gilb, S.; Weis, P.; Furche, F.; Ahlrichs, R.; Kappes, M. M. J. Chem. Phys. 2001, 116, 4094]. By inference we also establish the structure of the saturated Au(n)(CO)(m)(+) complexes. In certain cases we find evidence suggesting that successive adsorption of CO can distort the metal cluster framework. In addition, the vibrational spectra of the Au(n)(CO)(m)(+) complexes in both the CO stretching region and in the region of the Au-C stretch and the Au-C-O bend are measured using infrared photodepletion spectroscopy. The spectra further aid in the structure determination of Au(n)(+), provide information on the structure of the Au(n)(+)-CO complexes, and can be compared with spectra of CO adsorbates on deposited clusters or surfaces.

  7. A contribution to the investigation of the properties of the Au-Fe system

    International Nuclear Information System (INIS)

    Vano, M.; Sitek, J.; Cirak, J.

    1976-01-01

    Moessbauer spectroscopy, an electronic microanalyzer and X-ray diffractometry were used to study the properties of an Au-Fe solid solution during its preparation by installing Fe atoms into the Au matrix by diffusion heating at a temperature from 550 to 850 degC. On the basis of such measurements, the suitable heating temperature was determined at 850 degC; the Debye-Waller factor for Au-Fe is f=0.604+-0.040 and two configurations of Fe atoms in the Au crystal lattice were found. (author)

  8. Structure and physical properties of silicon clusters and of vacancy clusters in bulk silicon

    International Nuclear Information System (INIS)

    Sieck, A.

    2000-01-01

    In this thesis the growth-pattern of free silicon clusters and vacancy clusters in bulk silicon is investigated. The aim is to describe and to better understand the cluster to bulk transition. Silicon structures in between clusters and solids feature new interesting physical properties. The structure and physical properties of silicon clusters can be revealed by a combination of theory and experiment, only. Low-energy clusters are determined with different optimization techniques and a density-functional based tight-binding method. Additionally, infrared and Raman spectra, and polarizabilities calculated within self-consistent field density-functional theory are provided for the smaller clusters. For clusters with 25 to 35 atoms an analysis of the shape of the clusters and the related mobilities in a buffer gas is given. Finally, the clusters observed in low-temperature experiments are identified via the best match between calculated properties and experimental data. Silicon clusters with 10 to 15 atoms have a tricapped trigonal prism as a common subunit. Clusters with up to about 25 atoms follow a prolate growth-path. In the range from 24 to 30 atoms the geometry of the clusters undergoes a transition towards compact spherical structures. Low-energy clusters with up to 240 atoms feature a bonding pattern strikingly different from the tetrahedral bonding in the solid. It follows that structures with dimensions of several Angstroem have electrical and optical properties different from the solid. The calculated stabilities and positron-lifetimes of vacancy clusters in bulk silicon indicate the positron-lifetimes of about 435 ps detected in irradiated silicon to be related to clusters of 9 or 10 vacancies. The vacancies in these clusters form neighboring hexa-rings and, therefore, minimize the number of dangling bonds. (orig.)

  9. Local structure of disordered Au-Cu and Au-Ag alloys

    International Nuclear Information System (INIS)

    Frenkel, A. I.; Machavariani, V. Sh.; Rubshtein, A.; Rosenberg, Yu.; Voronel, A.; Stern, E. A.

    2000-01-01

    X-ray-absorption fine structure (XAFS) and x-ray-diffraction (XRD) measurements of disordered alloys Au x Cu 1-x and Au 0.5 Ag 0.5 prepared by melt spinning were performed. In the Au 0.5 Ag 0.5 alloy, no significant local deviations of the atoms from the average fcc lattice were detected while in Au x Cu 1-x alloys, significant deviations of atoms from the average fcc lattice were found. Mean-square vibrations of the Cu-Cu distances revealed by the XAFS in Au x Cu 1-x alloys indicate the weakening of contact between Cu atoms in the dilute limit. Our computer simulation for Au x Cu 1-x clusters of 10 5 atoms reproduces the main features of both the XAFS and XRD data

  10. Au@Ag core/shell cuboids and dumbbells: Optical properties and SERS response

    Science.gov (United States)

    Khlebtsov, Boris N.; Liu, Zhonghui; Ye, Jian; Khlebtsov, Nikolai G.

    2015-12-01

    Recent studies have conclusively shown that the plasmonic properties of Au nanorods can be finely controlled by Ag coating. Here, we investigate the effect of asymmetric silver overgrowth of Au nanorods on their extinction and surface-enhanced Raman scattering (SERS) properties for colloids and self-assembled monolayers. Au@Ag core/shell cuboids and dumbbells were fabricated through a seed-mediated anisotropic growth process, in which AgCl was reduced by use of Au nanorods with narrow size and shape distribution as seeds. Upon tailoring the reaction rate, monodisperse cuboids and dumbbells were synthesized and further transformed into water-soluble powders of PEGylated nanoparticles. The extinction spectra of AuNRs were in excellent agreement with T-matrix simulations based on size and shape distributions of randomly oriented particles. The multimodal plasmonic properties of the Au@Ag cuboids and dumbbells were investigated by comparing the experimental extinction spectra with finite-difference time-domain (FDTD) simulations. The SERS efficiencies of the Au@Ag cuboids and dumbbells were compared in two options: (1) individual SERS enhancers in colloids and (2) self-assembled monolayers formed on a silicon wafer by drop casting of nanopowder solutions mixed with a drop of Raman reporters. By using 1,4-aminothiophenol Raman reporter molecules, the analytical SERS enhancement factor (AEF) of the colloidal dumbbells was determined to be 5.1×106, which is an order of magnitude higher than the AEF=4.0×105 for the cuboids. This difference can be explained by better fitting of the dumbbell plasmon resonance to the excitation laser wavelength. In contrast to the colloidal measurements, the AEF=5×107 of self-assembled cuboid monolayers was almost twofold higher than that for dumbbell monolayers, as determined with rhodamine 6G Raman reporters. According to TEM data and electromagnetic simulations, the better SERS response of the self-assembled cuboids is due to uniform

  11. Au{sup 3+} ion implantation on FTO coated glasses: Effect on structural, electrical, optical and phonon properties

    Energy Technology Data Exchange (ETDEWEB)

    Sahu, Bindu; Dey, Ranajit; Bajpai, P.K., E-mail: bajpai.pk1@gmail.com

    2017-06-01

    Highlights: • Effects of 11.00 MeV Au{sup 3+} ions implanted in FTO coated (thickness ≈300 nm) silicate glasses at varying fluence. • Metal clustering near the surface and subsurface region below glass-FTO interface changes electrical and optical properties significantly. • Ion implantation does not affect the crystalline structure of the coated films; however, the tetragonal distortion increases with increasing ion fluence. • Significant surface reconstruction takes place with ion beam fluence; The average roughness also decreases with increasing fluence. • The sheet resistivity increases with increasing fluence. • Raman analysis also corroborates the re-crystallization process inducing due to ion implantation. • Optical properties of the implanted surfaces changes significantly. - Abstract: Effects of 11.00 MeV Au{sup 3+} ions implanted in FTO coated (thickness ≈300 nm) silicate glasses on structural, electrical optical and phonon behavior have been explored. It has been observed that metal clustering near the surface and sub-surface region below glass-FTO interface changes electrical and optical properties significantly. Ion implantation does not affect the crystalline structure of the coated films; however, the unit cell volume decreases with increase in fluence and the tetragonal distortion (c/a ratio) also decreases systematically in the implanted samples. The sheet resistivity of the films increases from 11 × 10{sup −5} ohm-cm (in pristine) to 7.5 × 10{sup −4} ohm-cm for highest ion beam fluence ≈10{sup 15} ions/cm{sup 2}. The optical absorption decreases with increasing fluence whereas, the optical transmittance as well as reflectance increases with increasing fluence. The Raman spectra are observed at ∼530 cm{sup −1} and ∼1103 cm{sup −1} in pristine sample. The broad band at 530 cm{sup −1} shifts towards higher wave number in the irradiated samples. This may be correlated with increased disorder and strain relaxation in

  12. Electronic structure and properties of designer clusters and cluster-assemblies

    International Nuclear Information System (INIS)

    Khanna, S.N.; Jena, P.

    1995-01-01

    Using self-consistent calculations based on density functional theory, we demonstrate that electronic shell filling and close atomic packing criteria can be used to design ultra-stable clusters. Interaction of these clusters with each other and with gas atoms is found to be weak confirming their chemical inertness. A crystal composed of these inert clusters is expected to have electronic properties that are markedly different from crystals where atoms are the building blocks. The recent observation of ferromagnetism in potassium clusters assembled in zeolite cages is discussed. (orig.)

  13. Ultrathin and Nanostructured Au Films with Gradient of Effective Thickness. Optical and Plasmonic Properties

    International Nuclear Information System (INIS)

    Tomilin, S V; Berzhansky, V N; Shaposhnikov, A N; Prokopov, A R; Milyukova, E T; Karavaynikov, A V; Tomilina, O A

    2016-01-01

    In present work the results of investigation of optical (transmission spectra) and plasmonic (surface plasmon-polariton resonance) properties of ultrathin and nanostructured Au films are presents. Methods and techniques for the syntheses of samples of ultrathin and nanostructured metallic films, and for the experimental studies of optical and plasmonic properties are representative. Au films on SiO 2 (optic glass) substrates were investigated. (paper)

  14. Effect of ambient on electrical transport properties of ultra-thin Au nanowires

    Science.gov (United States)

    Amin, Kazi Rafsanjani; Kundu, Subhajit; Biswas, Sangram; Roy, Ahin; Singh, Abhishek Kumar; Ravishankar, N.; Bid, Aveek

    2016-12-01

    In this letter we present systematic studies of the dynamics of surface adsorption of various chemicals on ultra-thin single crystalline gold nanowires (AuNW) through sensitive resistance fluctuation spectroscopy measurements coupled with ab initio simulations. We show that, contrary to expectations, the adsorption of common chemicals like methanol and acetone has a profound impact on the electrical transport properties of the AuNW. Our measurements and subsequent calculations establish conclusively that in AuNW, semiconductor-like sensitivity to the ambient arises because of changes induced in its local density of states by the surface adsorbed molecules. The extreme sensitivity of the resistance fluctuations of the AuNW to ambient suggests their possible use as solid-state sensors.

  15. Properties of the open cluster system

    International Nuclear Information System (INIS)

    Janes, K.A.; Tilley, C.; Lynga, G.

    1988-01-01

    A system of weights corresponding to the precision of open cluster data is described. Using these weights, some properties of open clusters can be studied more accurately than was possible earlier. It is clear that there are three types of objects: unbound clusters, bound clusters in the thin disk, and older bound clusters. Galactic gradients of metallicity, longevity, and linear diameter are studied. Distributions at right angles to the galactic plane are discussed in the light of the different cluster types. The clumping of clusters in complexes is studied. An estimate of the selection effects influencing the present material of open cluster data is made in order to evaluate the role played by open clusters in the history of the galactic disk. 58 references

  16. Investigation of the photoluminescence properties of Au/ZnO/sapphire and ZnO/Au/sapphire films by experimental study and electromagnetic simulation

    International Nuclear Information System (INIS)

    Zeng, Yong; Zhao, Yan; Jiang, Yijian

    2015-01-01

    Highlights: • Photoluminescent properties from Au/ZnO/sapphire and ZnO/Au/sapphire structures have been investigated. • The enhancement of UV intensity is a result of the enhanced electric field intensity of the 325 nm excitation light. • Electron transfer which induced by the local surface may be also account for the enhancement of UV emissions. • The suppression of the visible emissions might be due to the flowing of electrons in the defect states to the Au. - Abstract: Photoluminescent properties from Au/ZnO/sapphire and ZnO/Au/sapphire structures have been investigated. It is found that due to the co-interaction between the incident light and local surface plasmons, the ultraviolet (UV) emissions from the two structures were both enhanced and the visible emissions related to the defects were suppressed. By the means of electromagnetic simulation, it indicates that the enhancement of UV intensity is a result of the enhanced electric field intensity of the 325 nm excitation light, which is induced by localized surface plasmons resonance (LSPR). On the other hand, electron transfer which is induced by the local surface also account for the enhancement of UV emissions. The suppression of the visible emissions might be due to the flowing of electrons in the defect states to the Au, which caused the reduction of the electrons in the defect states

  17. Stability, structural and electronic properties of benzene molecule adsorbed on free standing Au layer

    Energy Technology Data Exchange (ETDEWEB)

    Katoch, Neha, E-mail: nehakatoch2@gmail.com; Kapoor, Pooja; Sharma, Munish; Ahluwalia, P. K. [Physics Department, Himachal Pradesh University, Shimla, Himachal Pradesh, India 171005 (India); Kumar, Ashok [Center for Physical Sciences, School of Basic and Applied Sciences, Central University of Punjab, Bathinda, India, 151001 (India)

    2016-05-23

    We report stability and electronic properties of benzene molecule adsorbed on the Au atomic layer within the framework of density function theory (DFT). Horizontal configuration of benzene on the top site of Au monolayer prefers energetically over other studied configurations. On the adsorption of benzene, the ballistic conductance of Au monolayer is found to decrease from 4G{sub 0} to 2G{sub 0} suggesting its applications for the fabrications of organic sensor devices based on the Au atomic layers.

  18. Cyanide leaching of Au/CeO2: highly active gold clusters for 1,3-butadiene hydrogenation.

    Science.gov (United States)

    Guan, Y; Hensen, E J M

    2009-11-07

    Ceria-supported gold catalysts before and after leaching by NaCN were investigated by X-ray absorption spectroscopy at the Au L(III) edge. After gold leaching, isolated gold cations remain in close interaction with the support. These ions form an ideal precursor to very small clusters of a few gold atoms upon reduction. The resulting gold clusters exhibit a very high intrinsic activity in the hydrogenation of 1,3-butadiene, which is at least one order of magnitude higher than that of the nanometre-sized gold particles in the non-leached parent catalyst. These findings point to a very strong structure sensitivity of the gold-catalyzed hydrogenation of dienes.

  19. Nanostructured, mesoporous Au/TiO2 model catalysts – structure, stability and catalytic properties

    Directory of Open Access Journals (Sweden)

    Matthias Roos

    2011-09-01

    Full Text Available Aiming at model systems with close-to-realistic transport properties, we have prepared and studied planar Au/TiO2 thin-film model catalysts consisting of a thin mesoporous TiO2 film of 200–400 nm thickness with Au nanoparticles, with a mean particle size of ~2 nm diameter, homogeneously distributed therein. The systems were prepared by spin-coating of a mesoporous TiO2 film from solutions of ethanolic titanium tetraisopropoxide and Pluronic P123 on planar Si(100 substrates, calcination at 350 °C and subsequent Au loading by a deposition–precipitation procedure, followed by a final calcination step for catalyst activation. The structural and chemical properties of these model systems were characterized by X-ray diffraction (XRD, transmission electron microscopy (TEM, N2 adsorption, inductively coupled plasma ionization spectroscopy (ICP–OES and X-ray photoelectron spectroscopy (XPS. The catalytic properties were evaluated through the oxidation of CO as a test reaction, and reactivities were measured directly above the film with a scanning mass spectrometer. We can demonstrate that the thin-film model catalysts closely resemble dispersed Au/TiO2 supported catalysts in their characteristic structural and catalytic properties, and hence can be considered as suitable for catalytic model studies. The linear increase of the catalytic activity with film thickness indicates that transport limitations inside the Au/TiO2 film catalyst are negligible, i.e., below the detection limit.

  20. Anomalous random correlations of force constants on the lattice dynamical properties of disordered Au-Fe alloys

    Science.gov (United States)

    Kangsabanik, Jiban; Chouhan, Rajiv K.; Johnson, D. D.; Alam, Aftab

    2017-09-01

    Gold iron (Au-Fe) alloys are of immense interest due to their biocompatibility, anomalous Hall conductivity, and applications in various medical treatments. However, irrespective of the method of preparation, they often exhibit a high level of disorder with properties sensitive to the thermal or magnetic annealing temperatures. We calculate the lattice dynamical properties of Au1 -xFex alloys using density functional theory methods where, being multisite properties, reliable interatomic force constant (IFC) calculations in disordered alloys remain a challenge. We follow a twofold approach: (1) an accurate IFC calculation in an environment with nominally zero chemical pair correlations to mimic the homogeneously disordered alloy and (2) a configurational averaging for the desired phonon properties (e.g., dispersion, density of states, and entropy). We find an anomalous change in the IFC's and phonon dispersion (split bands) near x =0.19 , which is attributed to the local stiffening of the Au-Au bonds when Au is in the vicinity of Fe. Other results based on mechanical and thermophysical properties reflect a similar anomaly: Phonon entropy, e.g., becomes negative below x =0.19 , suggesting a tendency for chemical unmixing, reflecting the onset of a miscibility gap in the phase diagram. Our results match fairly well with reported data wherever available.

  1. A Au82Si18 liquid metal field-ion emitter for the production of Si ions: fundamental properties and mechanisms

    International Nuclear Information System (INIS)

    Bischoff, L.; Mair, G.L.R.; Aidinis, C.J.; Londos, C.A.; Akhmadaliev, C.; Ganetsos, Th.

    2004-01-01

    Focused silicon beams are useful for direct write applications, e.g., lithography on silicon without the undesirable effect of substrate contamination. However, since pure silicon is not amenable to liquid metal ion source (LMIS) manufacture, a suitable alloy containing silicon has to be produced. This paper covers almost all fundamental aspects of a Au 82 Si 18 eutectic, including the most detailed beam mass spectra reported to date of a AuSi source. A finding worthy of note in this investigation, manifested in the behaviour of the ion extraction voltage with temperature, is the abnormal behaviour of the surface tension coefficient of the alloy with temperature. An important deduction from this work, however, concerns the mechanisms responsible for the creation of doubly charged ions: reasons of self-consistency indicate that while Si 2+ is directly field evaporated, Au 2+ must form by the post-ionization of Au + . Finally, two different mechanisms seem to co-exist, as far as the production of cluster ions is concerned. While for cluster ions containing only a few atoms some sort of surface field-ionization mechanism might be responsible for their creation, for larger clusters, a droplet break-up mechanism, possibly by ion capture, seems very likely

  2. Evaluation of gas-sensing properties of ZnO nanostructures electrochemically doped with Au nanophases

    Directory of Open Access Journals (Sweden)

    Elena Dilonardo

    2016-01-01

    Full Text Available A one-step electrochemical method based on sacrificial anode electrolysis (SAE was used to deposit stabilized gold nanoparticles (Au NPs directly on the surface of nanostructured ZnO powders, previously synthesized through a sol–gel process. The effect of thermal annealing temperatures (300 and 550 °C on chemical, morphological, and structural properties of pristine and Au-doped ZnO nancomposites (Au@ZnO was investigated. Transmission and scanning electron microscopy (TEM and SEM, as well as X-ray photoelectron spectroscopy (XPS, revealed the successful deposition of nanoscale gold on the surface of spherical and rod-like ZnO nanostructures, obtained after annealing at 300 and 550 °C, respectively. The pristine ZnO and Au@ZnO nanocomposites are proposed as active layer in chemiresistive gas sensors for low-cost processing. Gas-sensing measurements towards NO2 were collected at 300 °C, evaluating not only the Au-doping effect, but also the influence of the different ZnO nanostructures on the gas-sensing properties.

  3. Small gold clusters on graphene, their mobility and clustering: a DFT study

    International Nuclear Information System (INIS)

    Amft, Martin; Sanyal, Biplab; Eriksson, Olle; Skorodumova, Natalia V

    2011-01-01

    Motivated by the experimentally observed high mobility of gold atoms on graphene and their tendency to form nanometer-sized clusters, we present a density functional theory study of the ground state structures of small gold clusters on graphene, their mobility and clustering. Our detailed analysis of the electronic structures identifies the opportunity to form strong gold-gold bonds and the graphene-mediated interaction of the pre-adsorbed fragments as the driving forces behind gold's tendency to aggregate on graphene. While clusters containing up to three gold atoms have one unambiguous ground state structure, both gas phase isomers of a cluster with four gold atoms can be found on graphene. In the gas phase the diamond-shaped Au 4 D cluster is the ground state structure, whereas the Y-shaped Au 4 Y becomes the actual ground state when adsorbed on graphene. As we show, both clusters can be produced on graphene by two distinct clustering processes. We also studied in detail the stepwise formation of a gold dimer out of two pre-adsorbed adatoms, as well as the formation of Au 3 . All reactions are exothermic and no further activation barriers, apart from the diffusion barriers, were found. The diffusion barriers of all studied clusters range from 4 to 36 meV only, and are substantially exceeded by the adsorption energies of - 0.1 to - 0.59 eV. This explains the high mobility of Au 1-4 on graphene along the C-C bonds.

  4. Synthesis, Morphology, and Optical Properties of Au/CdS Hybrid Nanocomposites Stabilized by Branched Polymer Matrices

    Directory of Open Access Journals (Sweden)

    V. A. Chumachenko

    2016-01-01

    Full Text Available Metal/semiconductor (Au/CdS nanocomposites were synthesized in the solution of branched D-g-PAA polymer. TEM and DLS of Au/CdS/D-g-PAA nanocomposites revealed complicated nanocomposite structure consisting of the Au nanoparticles (NPs of 6 nm in size surrounded by small CdS NPs with size of 3 nm. These nanocomposites formed the aggregates-clusters with average size of 50–800 nm. Absorption spectra of Au/CdS nanocomposites consist of the bands of excitons in CdS NPs and surface plasmons in Au ones. The surface plasmon band of gold NPs is red shifted and broadened in Au/CdS/D-g-PAA nanocomposites comparing to the one of Au NPs in Au/D-g-PAA proving the fact of close location of CdS and Au NPs in the synthesized Au/CdS/D-g-PAA nanocomposites. The PL spectra of Au/CdS nanocomposites originate from the radiative transitions in excitons in CdS NPs. The 4-fold increase of intensity of free exciton PL is observed for CdS NPs in Au/CdS/D-g-PAA comparing to CdS ones in CdS/D-g-PAA that is due to PL enhancement by local field of surface plasmons of Au NPs. Also, the 12-fold decrease of intensity of localized exciton PL is observed for CdS NPs in Au/CdS/D-g-PAA comparing to CdS ones in CdS/D-g-PAA. Most probably, it is due to passivation of the surface of CdS NPs carried out by the Au ones.

  5. Growth mode, magnetic and magneto-optical properties of pulsed-laser-deposited Au/Co/Au(1 1 1) trilayers

    International Nuclear Information System (INIS)

    Clavero, C.; Cebollada, A.; Armelles, G.; Fruchart, O.

    2010-01-01

    The growth mode, magnetic and magneto-optical properties of epitaxial Au/Co/Au(1 1 1) ultrathin trilayers grown by pulsed-laser deposition (PLD) under ultra-high vacuum are presented. Sapphire wafers buffered with a single-crystalline Mo(1 1 0) buffer layer were used as substrates. Owing to PLD-induced interfacial intermixing at the lower Co/Au(1 1 1) interface, a close-to layer-by-layer growth mode is promoted. Surprisingly, despite this intermixing, ferromagnetic behavior is found at room temperature for coverings starting at 1 atomic layer (AL). The films display perpendicular magnetization with anisotropy constants reduced by 50% compared to TD-grown or electrodeposited films, and with a coercivity more than one order of magnitude lower (≤5mT). The magneto-optical (MO) response in the low Co thickness range is dominated by Au/Co interface contributions. For thicknesses starting at 3 AL Co, the MO response has a linear dependence with the Co thickness, indicative of a continuous-film-like MO behavior.

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

    Science.gov (United States)

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

    2015-03-01

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

  7. OPEN CLUSTERS AS PROBES OF THE GALACTIC MAGNETIC FIELD. I. CLUSTER PROPERTIES

    Energy Technology Data Exchange (ETDEWEB)

    Hoq, Sadia; Clemens, D. P., E-mail: shoq@bu.edu, E-mail: clemens@bu.edu [Institute for Astrophysical Research, 725 Commonwealth Avenue, Boston University, Boston, MA 02215 (United States)

    2015-10-15

    Stars in open clusters are powerful probes of the intervening Galactic magnetic field via background starlight polarimetry because they provide constraints on the magnetic field distances. We use 2MASS photometric data for a sample of 31 clusters in the outer Galaxy for which near-IR polarimetric data were obtained to determine the cluster distances, ages, and reddenings via fitting theoretical isochrones to cluster color–magnitude diagrams. The fitting approach uses an objective χ{sup 2} minimization technique to derive the cluster properties and their uncertainties. We found the ages, distances, and reddenings for 24 of the clusters, and the distances and reddenings for 6 additional clusters that were either sparse or faint in the near-IR. The derived ranges of log(age), distance, and E(B−V) were 7.25–9.63, ∼670–6160 pc, and 0.02–1.46 mag, respectively. The distance uncertainties ranged from ∼8% to 20%. The derived parameters were compared to previous studies, and most cluster parameters agree within our uncertainties. To test the accuracy of the fitting technique, synthetic clusters with 50, 100, or 200 cluster members and a wide range of ages were fit. These tests recovered the input parameters within their uncertainties for more than 90% of the individual synthetic cluster parameters. These results indicate that the fitting technique likely provides reliable estimates of cluster properties. The distances derived will be used in an upcoming study of the Galactic magnetic field in the outer Galaxy.

  8. Ligand induced structural isomerism in phosphine coordinated gold clusters revealed by ion mobility mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Ligare, Marshall R.; Baker, Erin M.; Laskin, Julia; Johnson, Grant E.

    2017-01-01

    Structural isomerism in ligated gold clusters is revealed using electrospray ionization ion mobility spectrometry mass spectrometry. Phosphine ligated Au8 clusters are shown to adopt more “extended” type structures with increasing exchange of methyldiphenylphosphine (MePPh2) for triphenylphosphine (PPh3). These ligand-dependant structure-property relationships are critical to applications of clusters in catalysis.

  9. Imaging with Mass Spectrometry: A SIMS and VUV-Photoionization Study of Ion-Sputtered Atoms and Clusters from GaAs and Au

    Energy Technology Data Exchange (ETDEWEB)

    Takahashi, Lynelle; Zhou, Jia; Wilson, Kevin R.; Leone, Stephen R.; Ahmed, Musahid

    2008-12-05

    A new mass spectrometry surface imaging method is presented in which ion-sputtered neutrals are postionized by wavelength-tunable vacuum ultraviolet (VUV) light from a synchrotron source. Mass spectra and signal counts of the photoionized neutrals from GaAs (100) and Au are compared to those of the secondary ions. While clusters larger than dimers are more efficiently detected as secondary ions, certain species, such as As2, Au and Au2, are more efficiently detected through the neutral channel. Continuously tuning the photon wavelength allows photoionization efficiency (PIE) curves to be obtained for sputtered Asm (m=1,2) and Aun (n=1-4). From the observed ionization thresholds, sputtered neutral As and Au show no clear evidence of electronic excitation, while neutral clusters have photoionization onsets shifted to lower energies by ~;;0.3 eV. These shifts are attributed to unresolved vibrational and rotational excitations. High-spatial resolution chemical imaging with synchrotron VUV postionization is demonstrated at two different photon energies using a copper TEM grid embedded in indium. The resulting images are used to illustrate the use of tunable VUV light for verifying mass peak assignments by exploiting the unique wavelength-dependent PIE of each sputtered neutral species. This capability is valuable for identifying compounds when imaging chemically complex systems with mass spectrometry-based techniques.

  10. CD33 monoclonal antibody conjugated Au cluster nano-bioprobe for targeted flow-cytometric detection of acute myeloid leukaemia

    Science.gov (United States)

    Retnakumari, Archana; Jayasimhan, Jasusri; Chandran, Parwathy; Menon, Deepthy; Nair, Shantikumar; Mony, Ullas; Koyakutty, Manzoor

    2011-07-01

    Protein stabilized gold nanoclusters (Au-NCs) are biocompatible, near-infrared (NIR) emitting nanosystems having a wide range of biomedical applications. Here, we report the development of a Au-NC based targeted fluorescent nano-bioprobe for the flow-cytometric detection of acute myeloid leukaemia (AML) cells. Au-NCs with ~ 25-28 atoms showing bright red-NIR fluorescence (600-750 nm) and average size of ~ 0.8 nm were prepared by bovine serum albumin assisted reduction-cum-stabilization in aqueous phase. The protein protected clusters were conjugated with monoclonal antibody against CD33 myeloid antigen, which is overexpressed in ~ 99.2% of the primitive population of AML cells, as confirmed by immunophenotyping using flow cytometry. Au-NC-CD33 conjugates having average size of ~ 12 nm retained bright fluorescence over an extended duration of ~ a year, as the albumin protein protects Au-NCs against degradation. Nanotoxicity studies revealed excellent biocompatibility of Au-NC conjugates, as they showed no adverse effect on the cell viability and inflammatory response. Target specificity of the conjugates for detecting CD33 expressing AML cells (KG1a) in flow cytometry showed specific staining of ~ 95.4% of leukaemia cells within 1-2 h compared to a non-specific uptake of ~ 8.2% in human peripheral blood cells (PBMCs) which are CD33low. The confocal imaging also demonstrated the targeted uptake of CD33 conjugated Au-NCs by leukaemia cells, thus confirming the flow cytometry results. This study demonstrates that novel nano-bioprobes can be developed using protein protected fluorescent nanoclusters of Au for the molecular receptor targeted flow cytometry based detection and imaging of cancer cells.

  11. CD33 monoclonal antibody conjugated Au cluster nano-bioprobe for targeted flow-cytometric detection of acute myeloid leukaemia

    International Nuclear Information System (INIS)

    Retnakumari, Archana; Jayasimhan, Jasusri; Chandran, Parwathy; Menon, Deepthy; Nair, Shantikumar; Mony, Ullas; Koyakutty, Manzoor

    2011-01-01

    Protein stabilized gold nanoclusters (Au-NCs) are biocompatible, near-infrared (NIR) emitting nanosystems having a wide range of biomedical applications. Here, we report the development of a Au-NC based targeted fluorescent nano-bioprobe for the flow-cytometric detection of acute myeloid leukaemia (AML) cells. Au-NCs with ∼ 25-28 atoms showing bright red-NIR fluorescence (600-750 nm) and average size of ∼ 0.8 nm were prepared by bovine serum albumin assisted reduction-cum-stabilization in aqueous phase. The protein protected clusters were conjugated with monoclonal antibody against CD33 myeloid antigen, which is overexpressed in ∼ 99.2% of the primitive population of AML cells, as confirmed by immunophenotyping using flow cytometry. Au-NC-CD33 conjugates having average size of ∼ 12 nm retained bright fluorescence over an extended duration of ∼ a year, as the albumin protein protects Au-NCs against degradation. Nanotoxicity studies revealed excellent biocompatibility of Au-NC conjugates, as they showed no adverse effect on the cell viability and inflammatory response. Target specificity of the conjugates for detecting CD33 expressing AML cells (KG1a) in flow cytometry showed specific staining of ∼ 95.4% of leukaemia cells within 1-2 h compared to a non-specific uptake of ∼ 8.2% in human peripheral blood cells (PBMCs) which are CD33 low . The confocal imaging also demonstrated the targeted uptake of CD33 conjugated Au-NCs by leukaemia cells, thus confirming the flow cytometry results. This study demonstrates that novel nano-bioprobes can be developed using protein protected fluorescent nanoclusters of Au for the molecular receptor targeted flow cytometry based detection and imaging of cancer cells.

  12. CD33 monoclonal antibody conjugated Au cluster nano-bioprobe for targeted flow-cytometric detection of acute myeloid leukaemia

    Energy Technology Data Exchange (ETDEWEB)

    Retnakumari, Archana; Jayasimhan, Jasusri; Chandran, Parwathy; Menon, Deepthy; Nair, Shantikumar; Mony, Ullas; Koyakutty, Manzoor, E-mail: manzoork@aims.amrita.edu, E-mail: ullasmony@aims.amrita.edu [Amrita Centre for Nanoscience and Molecular Medicine, Amrita Institute of Medical Science, Cochin 682 041 (India)

    2011-07-15

    Protein stabilized gold nanoclusters (Au-NCs) are biocompatible, near-infrared (NIR) emitting nanosystems having a wide range of biomedical applications. Here, we report the development of a Au-NC based targeted fluorescent nano-bioprobe for the flow-cytometric detection of acute myeloid leukaemia (AML) cells. Au-NCs with {approx} 25-28 atoms showing bright red-NIR fluorescence (600-750 nm) and average size of {approx} 0.8 nm were prepared by bovine serum albumin assisted reduction-cum-stabilization in aqueous phase. The protein protected clusters were conjugated with monoclonal antibody against CD33 myeloid antigen, which is overexpressed in {approx} 99.2% of the primitive population of AML cells, as confirmed by immunophenotyping using flow cytometry. Au-NC-CD33 conjugates having average size of {approx} 12 nm retained bright fluorescence over an extended duration of {approx} a year, as the albumin protein protects Au-NCs against degradation. Nanotoxicity studies revealed excellent biocompatibility of Au-NC conjugates, as they showed no adverse effect on the cell viability and inflammatory response. Target specificity of the conjugates for detecting CD33 expressing AML cells (KG1a) in flow cytometry showed specific staining of {approx} 95.4% of leukaemia cells within 1-2 h compared to a non-specific uptake of {approx} 8.2% in human peripheral blood cells (PBMCs) which are CD33{sup low}. The confocal imaging also demonstrated the targeted uptake of CD33 conjugated Au-NCs by leukaemia cells, thus confirming the flow cytometry results. This study demonstrates that novel nano-bioprobes can be developed using protein protected fluorescent nanoclusters of Au for the molecular receptor targeted flow cytometry based detection and imaging of cancer cells.

  13. Exploring the atomic structure of 1.8 nm monolayer-protected gold clusters with aberration-corrected STEM

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jian; Jian, Nan; Ornelas, Isabel; Pattison, Alexander J. [Nanoscale Physics Research Laboratory, School of Physics and Astronomy, University of Birmingham, Birmingham B15 2TT (United Kingdom); Lahtinen, Tanja; Salorinne, Kirsi [Department of Chemistry, Nanoscience Center, University of Jyväskylä, FI-40014 Jyväskylä (Finland); Häkkinen, Hannu [Department of Chemistry, Nanoscience Center, University of Jyväskylä, FI-40014 Jyväskylä (Finland); Department of Physics, Nanoscience Center, University of Jyväskylä, FI-40014 Jyväskylä (Finland); Palmer, Richard E., E-mail: richardepalmerwork@yahoo.com [Nanoscale Physics Research Laboratory, School of Physics and Astronomy, University of Birmingham, Birmingham B15 2TT (United Kingdom)

    2017-05-15

    Monolayer-protected (MP) Au clusters present attractive quantum systems with a range of potential applications e.g. in catalysis. Knowledge of the atomic structure is needed to obtain a full understanding of their intriguing physical and chemical properties. Here we employed aberration-corrected scanning transmission electron microscopy (ac-STEM), combined with multislice simulations, to make a round-robin investigation of the atomic structure of chemically synthesised clusters with nominal composition Au{sub 144}(SCH{sub 2}CH{sub 2}Ph){sub 60} provided by two different research groups. The MP Au clusters were “weighed” by the atom counting method, based on their integrated intensities in the high angle annular dark field (HAADF) regime and calibrated exponent of the Z dependence. For atomic structure analysis, we compared experimental images of hundreds of clusters, with atomic resolution, against a variety of structural models. Across the size range 123–151 atoms, only 3% of clusters matched the theoretically predicted Au{sub 144}(SR){sub 60} structure, while a large proportion of the clusters were amorphous (i.e. did not match any model structure). However, a distinct ring-dot feature, characteristic of local icosahedral symmetry, was observed in about 20% of the clusters. - Highlights: • Chemically synthesised gold clusters were “weighed” by atom counting to get true size. • Image simulations show a few percent of clusters have the predicted atomic structure. • But a specific ring-dot feature indicates local icosahedral order in many clusters.

  14. clusters

    Indian Academy of Sciences (India)

    environmental as well as technical problems during fuel gas utilization. ... adsorption on some alloys of Pd, namely PdAu, PdAg ... ried out on small neutral and charged Au24,26,27, Cu,28 ... study of Zanti et al.29 on Pdn (n = 1–9) clusters.

  15. Scaling properties of hyperon production in Au+Au collisions at square root [sNN]=200 GeV.

    Science.gov (United States)

    Adams, J; Aggarwal, M M; Ahammed, Z; Amonett, J; Anderson, B D; Anderson, M; Arkhipkin, D; Averichev, G S; Bai, Y; Balewski, J; Barannikova, O; Barnby, L S; Baudot, J; Bekele, S; Belaga, V V; Bellingeri-Laurikainen, A; Bellwied, R; Bezverkhny, B I; Bhardwaj, S; Bhasin, A; Bhati, A K; Bichsel, H; Bielcik, J; Bielcikova, J; Bland, L C; Blyth, C O; Blyth, S-L; Bonner, B E; Botje, M; Bouchet, J; Brandin, A V; Bravar, A; Bystersky, M; Cadman, R V; Cai, X Z; Caines, H; Calderón de la Barca Sánchez, M; Castillo, J; Catu, O; Cebra, D; Chajecki, Z; Chaloupka, P; Chattopadhyay, S; Chen, H F; Chen, J H; Chen, Y; Cheng, J; Cherney, M; Chikanian, A; Choi, H A; Christie, W; Coffin, J P; Cormier, T M; Cosentino, M R; Cramer, J G; Crawford, H J; Das, D; Das, S; Daugherity, M; de Moura, M M; Dedovich, T G; DePhillips, M; Derevschikov, A A; Didenko, L; Dietel, T; Djawotho, P; Dogra, S M; Dong, W J; Dong, X; Draper, J E; Du, F; Dunin, V B; Dunlop, J C; Dutta Mazumdar, M R; Eckardt, V; Edwards, W R; Efimov, L G; Emelianov, V; Engelage, J; Eppley, G; Erazmus, B; Estienne, M; Fachini, P; Fatemi, R; Fedorisin, J; Filimonov, K; Filip, P; Finch, E; Fine, V; Fisyak, Y; Fu, J; Gagliardi, C A; Gaillard, L; Gans, J; Ganti, M S; Ghazikhanian, V; Ghosh, P; Gonzalez, J E; Gorbunov, Y G; Gos, H; Grebenyuk, O; Grosnick, D; Guertin, S M; Guimaraes, K S F F; Guo, Y; Gupta, N; Gutierrez, T D; Haag, B; Hallman, T J; Hamed, A; Harris, J W; He, W; Heinz, M; Henry, T W; Hepplemann, S; Hippolyte, B; Hirsch, A; Hjort, E; Hoffmann, G W; Horner, M J; Huang, H Z; Huang, S L; Hughes, E W; Humanic, T J; Igo, G; Jacobs, P; Jacobs, W W; Jakl, P; Jia, F; Jiang, H; Jones, P G; Judd, E G; Kabana, S; Kang, K; Kapitan, J; Kaplan, M; Keane, D; Kechechyan, A; Khodyrev, V Yu; Kim, B C; Kiryluk, J; Kisiel, A; Kislov, E M; Klein, S R; Koetke, D D; Kollegger, T; Kopytine, M; Kotchenda, L; Kouchpil, V; Kowalik, K L; Kramer, M; Kravtsov, P; Kravtsov, V I; Krueger, K; Kuhn, C; Kulikov, A I; Kumar, A; Kuznetsov, A A; Lamont, M A C; Landgraf, J M; Lange, S; Lapointe, S; Laue, F; Lauret, J; Lebedev, A; Lednicky, R; Lee, C-H; Lehocka, S; Levine, M J; Li, C; Li, Q; Li, Y; Lin, G; Lindenbaum, S J; Lisa, M A; Liu, F; Liu, H; Liu, J; Liu, L; Liu, Z; Ljubicic, T; Llope, W J; Long, H; Longacre, R S; Lopez-Noriega, M; Love, W A; Lu, Y; Ludlam, T; Lynn, D; Ma, G L; Ma, J G; Ma, Y G; Magestro, D; Mahapatra, D P; Majka, R; Mangotra, L K; Manweiler, R; Margetis, S; Markert, C; Martin, L; Matis, H S; Matulenko, Yu A; McClain, C J; McShane, T S; Melnick, Yu; Meschanin, A; Miller, M L; Minaev, N G; Mioduszewski, S; Mironov, C; Mischke, A; Mishra, D K; Mitchell, J; Mohanty, B; Molnar, L; Moore, C F; Morozov, D A; Munhoz, M G; Nandi, B K; Nattrass, C; Nayak, T K; Nelson, J M; Netrakanti, P K; Nikitin, V A; Nogach, L V; Nurushev, S B; Odyniec, G; Ogawa, A; Okorokov, V; Oldenburg, M; Olson, D; Pachr, M; Pal, S K; Panebratsev, Y; Panitkin, S Y; Pavlinov, A I; Pawlak, T; Peitzmann, T; Perevoztchikov, V; Perkins, C; Peryt, W; Petrov, V A; Phatak, S C; Picha, R; Planinic, M; Pluta, J; Poljak, N; Porile, N; Porter, J; Poskanzer, A M; Potekhin, M; Potrebenikova, E; Potukuchi, B V K S; Prindle, D; Pruneau, C; Putschke, J; Rakness, G; Raniwala, R; Raniwala, S; Ray, R L; Razin, S V; Reinnarth, J; Relyea, D; Retiere, F; Ridiger, A; Ritter, H G; Roberts, J B; Rogachevskiy, O V; Romero, J L; Rose, A; Roy, C; Ruan, L; Russcher, M J; Sahoo, R; Sakrejda, I; Salur, S; Sandweiss, J; Sarsour, M; Sazhin, P S; Schambach, J; Scharenberg, R P; Schmitz, N; Schweda, K; Seger, J; Selyuzhenkov, I; Seyboth, P; Shabetai, A; Shahaliev, E; Shao, M; Sharma, M; Shen, W Q; Shimanskiy, S S; Sichtermann, E; Simon, F; Singaraju, R N; Smirnov, N; Snellings, R; Sood, G; Sorensen, P; Sowinski, J; Speltz, J; Spinka, H M; Srivastava, B; Stadnik, A; Stanislaus, T D S; Stock, R; Stolpovsky, A; Strikhanov, M; Stringfellow, B; Suaide, A A P; Sugarbaker, E; Sumbera, M; Sun, Z; Surrow, B; Swanger, M; Symons, T J M; Szanto de Toledo, A; Tai, A; Takahashi, J; Tang, A H; Tarnowsky, T; Thein, D; Thomas, J H; Timmins, A R; Timoshenko, S; Tokarev, M; Trainor, T A; Trentalange, S; Tribble, R E; Tsai, O D; Ulery, J; Ullrich, T; Underwood, D G; Van Buren, G; van der Kolk, N; van Leeuwen, M; Vander Molen, A M; Varma, R; Vasilevski, I M; Vasiliev, A N; Vernet, R; Vigdor, S E; Viyogi, Y P; Vokal, S; Voloshin, S A; Waggoner, W T; Wang, F; Wang, G; Wang, J S; Wang, X L; Wang, Y; Watson, J W; Webb, J C; Westfall, G D; Wetzler, A; Whitten, C; Wieman, H; Wissink, S W; Witt, R; Wood, J; Wu, J; Xu, N; Xu, Q H; Xu, Z; Yepes, P; Yoo, I-K; Yurevich, V I; Zhan, W; Zhang, H; Zhang, W M; Zhang, Y; Zhang, Z P; Zhao, Y; Zhong, C; Zoulkarneev, R; Zoulkarneeva, Y; Zubarev, A N; Zuo, J X

    2007-02-09

    We present the scaling properties of Lambda, Xi, and Omega in midrapidity Au+Au collisions at the Brookhaven National Laboratory Relativistic Heavy Ion Collider at sqrt[s_{NN}]=200 GeV. The yield of multistrange baryons per participant nucleon increases from peripheral to central collisions more rapidly than that of Lambda, indicating an increase of the strange-quark density of the matter produced. The strange phase-space occupancy factor gamma_{s} approaches unity for the most central collisions. Moreover, the nuclear modification factors of p, Lambda, and Xi are consistent with each other for 2

  16. Impurity cluster interaction in fcc metals studied by PAC

    International Nuclear Information System (INIS)

    Deicher, M.; Echt, O.; Recknagel, E.; Wichert, T.

    1981-01-01

    A defect configuration of high thermal stability has been observed by PAC in Au, showing the same properties as previously published configuration in Cu and Ni. We prove that these configurations cannot consist of any small defect complex with well-defined size; especially the observed influence of the damaging conditions on the thermal stability of the defects in Au and Cu would contradict such an assumption. It is shown that probe atoms trapped at large clusters of variable size can nevertheless experience a unique electric field gradient, and that in our case intrinsic stacking faults, formed by vacancies, can account for all the measured properties. (orig.)

  17. XAFS studies of monodisperse Au nanoclusters formation in the etching process

    International Nuclear Information System (INIS)

    Yang, Lina; Huang, Ting; Liu, Wei; Bao, Jie; Huang, Yuanyuan; Cao, Yuanjie; Yao, Tao; Sun, Zhihu; Wei, Shiqiang

    2016-01-01

    Understanding the formation mechanism of gold nanoclusters is essential to the development of their synthetic chemistry. Here, by using x-ray absorption fine-structure (XAFS) spectroscopy, UV-Vis and MS spectra, the formation process of monodisperse Au 13 nanoclusters is investigated. We find that a critical step involving the formation of smaller Au 8 -Au 11 metastable intermediate clusters induced by the HCl + HSR etching of the polydisperse Au n precursor clusters occurs firstly. Then these intermediate species undergo a size-growth to Au 13 cores, followed by a slow structure rearrangement to reach the final stable structure. This work enriches the understanding of cluster formation chemistry and may guide the way towards the design and the controllable synthesis of nanoclusters. (paper)

  18. Rich Ground State Chemical Ordering in Nanoparticles: Exact Solution of a Model for Ag-Au Clusters

    DEFF Research Database (Denmark)

    Larsen, Peter Mahler; Jacobsen, Karsten Wedel; Schiøtz, Jakob

    2018-01-01

    We show that nanoparticles can have very rich ground state chemical order. This is illustrated by determining the chemical ordering of Ag-Au 309-atom Mackay icosahedral nanoparticles. The energy of the nanoparticles is described using a cluster expansion model, and a Mixed Integer Programming (MIP......) approach is used to find the exact ground state configurations for all stoichiometries. The chemical ordering varies widely between the different stoichiometries, and display a rich zoo of structures with non-trivial ordering....

  19. CO oxidation on Alsbnd Au nano-composite systems

    Science.gov (United States)

    Rajesh, C.; Majumder, C.

    2018-03-01

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

  20. Cell adhesion over two distinct surfaces varied with chemical and mechanical properties

    International Nuclear Information System (INIS)

    Huang, Chih-Ling; Liao, Jiunn-Der; Yang, Chia-Fen; Chang, Chia-Wei; Ju, Ming-Shaung; Lin, Chou-Ching K.

    2009-01-01

    Chitosan is widely recognized as a natural and proper scaffold material; however, as a base substrate, it shows little promotion effect for the growth of cultured fibroblast cells. In this study, chitosan in a film form was prepared and used as a cell-culturing matrix, followed by patterning the evaporated Au upon it. Micro-scale Au clusters of ∼ 150 μm in diameter and ∼ 20 nm in thickness were then patterned and adhered upon the chitosan matrix. Physical and chemical properties of Au/chitosan were characterized. In particular, nano-indentation with dynamic contact module was applied to measure the nano-hardness of the tailored surfaces on Au/chitosan. Fibroblast cells were thereafter cultured on Au/chitosan. Experimental results demonstrated that as compared with the chitosan matrix, Au clusters and their boundary area exhibited favorable to promote cell adhesion, spreading, and growth. As well, nano-hardness on the boundary area of Au/chitosan significantly enhanced, while the cultured fibroblast cells aggregated upon Au clusters and the boundary area. In combination with the possible chemical and mechanical changes resulted by the evaporation of Au clusters upon the chitosan matrix, a selectively-enhanced Au/chitosan to promote fibroblast cells proliferation was created. Such design is anticipated for enabling a surface for scaffold materials with the cell-guidable function.

  1. Structural and optical studies of Au doped titanium oxide films

    International Nuclear Information System (INIS)

    Alves, E.; Franco, N.; Barradas, N.P.; Nunes, B.; Lopes, J.; Cavaleiro, A.; Torrell, M.; Cunha, L.; Vaz, F.

    2012-01-01

    Thin films of TiO 2 were doped with Au by ion implantation and in situ during the deposition. The films were grown by reactive magnetron sputtering and deposited in silicon and glass substrates at a temperature around 150 °C. The undoped films were implanted with Au fluences in the range of 5 × 10 15 Au/cm 2 –1 × 10 17 Au/cm 2 with a energy of 150 keV. At a fluence of 5 × 10 16 Au/cm 2 the formation of Au nanoclusters in the films is observed during the implantation at room temperature. The clustering process starts to occur during the implantation where XRD estimates the presence of 3–5 nm precipitates. After annealing in a reducing atmosphere, the small precipitates coalesce into larger ones following an Ostwald ripening mechanism. In situ XRD studies reveal that Au atoms start to coalesce at 350 °C, reaching the precipitates dimensions larger than 40 nm at 600 °C. Annealing above 700 °C promotes drastic changes in the Au profile of in situ doped films with the formation of two Au rich regions at the interface and surface respectively. The optical properties reveal the presence of a broad band centered at 550 nm related to the plasmon resonance of gold particles visible in AFM maps.

  2. Two-Dimensional Cysteine and Cystine Cluster Networks on Au(111) Disclosed by Voltammetry and in Situ Scanning Tunneling Microscopy

    DEFF Research Database (Denmark)

    Zhang, Jingdong; Chi, Qijin; Nielsen, Jens Ulrik

    2000-01-01

    Microscopic structures for molecular monolayers of L-cysteine and L-cystine assembled on Au(111) have been disclosed by employing electrochemistry and in situ scanning tunneling microscopy (STM). HighresolutionSTMimages show that the adlayers of both cyteine and cystine exhibit highly......-ordered networklike clusters with (3x3 6)R30° structure. By combining the surface coverage estimated from voltammetric data, each cluster is demonstrated to include six individual cysteine molecules or three cystine molecules. As a comparison, no cluster structure is observed for the 1-butanethiol adlayer prepared...... and examined under the same conditions as those for cysteine and cystine. This suggests that intermolecular and intramolecular hydrogen bonds among adsorbed cysteine or cystine molecules could be responsible for the origin of the cluster-network structures for the adlayers. Several models are proposed and used...

  3. The synthesis of high yield Au nanoplate and optimized optical properties

    Science.gov (United States)

    Ni, Yuan; Kan, Caixia; Xu, Juan; Liu, Yang

    2018-02-01

    The applications of Au nanoplates based on the tunable plasmon properties and enhanced electromagnetic field at the sharp tip and straight edges, have generated a great deal of interest in recent years, especially in the fields of the bio-chemical sensing and imaging. In this review, we focus on the synthesis of nanoscale platelike structures by multiple synthetic strategies (such as thermal solution method, seed-mediated method, seedless method, and some greener methods), and explore corresponding growth mechanism in different synthetic approaches. Other than to review the fabrication of Au nanoplates, the purification strategies are also discussed in order to support the applications in various fields. Modifying synthetic method to obtain well-defined nanoplates can tuned optical absorption from visible to near-infrared region. Moreover, the Au nanoplate dimers (vertex-to-vertex and edge-by-edge assemblies) can induce more specific plasmon properties and stronger localized field due to coupling of interparticles. Compared with 0D quasi-spherical nanoparticles and 1D nanorods, the 2D nanoplates can be applied as a good surface-enhanced Raman scattering (SERS) substrate because of the sharp corners and straight edges. This review will provide background information for the controllable synthesis of anisotropic nanoparticles and advance the application of coupled nanostructures.

  4. Theoretical study of oxygen adsorption on pure Au-n+1(+) and doped MAun+ cationic gold clusters for M = Ti, Fe and n=3-7

    DEFF Research Database (Denmark)

    Torres, M. Begona; Fernandez Sanchez, Eva; Balbas, Luis C.

    2008-01-01

    A comparative study of the adsorption of an O-2 molecule on pure Au-n+1(+) and doped MAun+ cationic gold clusters for n = 3-7 and M = Ti, Fe is presented. The simultaneous adsorption of two oxygen atoms also was studied. This work was performed by means of first principles calculations based...... with adsorption energies of 0.56 and 0.69 eV, respectively. The ground-state geometry of Au-n(+) is almost unperturbed after O-2 adsorption. The electronic charge flows towards O-2 when the molecule is adsorbed in bridge positions and towards the gold cluster when O-2 is adsorbed on top of An atoms, and both...... with size n are rationalized in terms of O-O and O-M bond distances, as well as charge transfer between oxygen and cluster substrates. The spin multiplicity of those (MAunO2+)(ad) complexes with the highest O-2 adsorption energy is a maximum (minimum) for M = Fe (Ti), corresponding to parallel (anti...

  5. Nano-jewellery: C5Au12--a gold-plated diamond at molecular level.

    Science.gov (United States)

    Naumkin, F

    2006-06-07

    A mixed carbon-metal cluster is designed by combining the tetrahedral C(5) radical (with a central atom-the skeleton of the C(5)H(12) molecule) and the spherical Au(12) layer (the external atomic shell of the Au(13) cluster). The C(5)Au(12) cluster and its negative and positive ionic derivatives, C(5)Au(12)(+/-), are investigated ab initio (DFT) in terms of optimized structures and relative energies of a few spin-states, for the icosahedral-like and octahedral-like isomers. The cluster is predicted to be generally more stable in its octahedral shape (similar to C(5)H(12)) which prevails for the negative ion and may compete with the icosahedral shape for the neutral system and positive ion. Adiabatic ionization energies (AIE) and electron affinities (AEA) of C(5)Au(12), vertical electron-detachment (VDE) energies of C(5)Au(12)(-), and vertical ionization and electron-attachment energies (VIE, VEA) of C(5)Au(12) are calculated as well, and compared with those for the corresponding isomers of the Au(13) cluster. The AIE and VIE values are found to be close for the two systems, while the AEA and VDE values are significantly reduced for the radical-based species. A simple fragment-based model is proposed for the decomposition of the total interaction into carbon-gold and gold-gold components.

  6. sp magnetism in clusters of gold thiolates

    International Nuclear Information System (INIS)

    Ayuela, A; Hernando, A; Echenique, P M; Crespo, P; García, M A

    2012-01-01

    Using first-principles calculations, we consider the bond between thiolate and small Au clusters, with particular emphasis on the resulting magnetic moment. The moment of pure gold clusters is 1 μ B for clusters with an odd number of Au atoms and zero for those with an even number. The addition of the thiolate, having an odd number of electrons itself, shifts the phase of the odd-even oscillations so that particles with an even number of Au atoms now have unit moment. Surprisingly, gold thiolate exhibits a dramatic and non-intuitive distribution of charge and spin moment. Our results show that the S-Au bond is such that sulfur does not get charge and an electron is transferred to the Au cluster. This extra electron is mainly sp in character and resides in an electronic shell below the Au surface. The calculations suggest that any thiolate-induced magnetism occurs in the gold nanoparticle and not the thiolate, and can be controlled by modifying the thiolate coverage. (paper)

  7. Transformation of Au144(SCH2CH2Ph)60 to Au133(SPh-tBu)52 Nanomolecules: Theoretical and Experimental Study.

    Science.gov (United States)

    Nimmala, Praneeth Reddy; Theivendran, Shevanuja; Barcaro, Giovanni; Sementa, Luca; Kumara, Chanaka; Jupally, Vijay Reddy; Apra, Edoardo; Stener, Mauro; Fortunelli, Alessandro; Dass, Amala

    2015-06-04

    Ultrastable gold nanomolecule Au144(SCH2CH2Ph)60 upon etching with excess tert-butylbenzenethiol undergoes a core-size conversion and compositional change to form an entirely new core of Au133(SPh-tBu)52. This conversion was studied using high-resolution electrospray mass spectrometry which shows that the core size conversion is initiated after 22 ligand exchanges, suggesting a relatively high stability of the Au144(SCH2CH2Ph)38(SPh-tBu)22 intermediate. The Au144 → Au133 core size conversion is surprisingly different from the Au144 → Au99 core conversion reported in the case of thiophenol, -SPh. Theoretical analysis and ab initio molecular dynamics simulations show that rigid p-tBu groups play a crucial role by reducing the cluster structural freedom, and protecting the cluster from adsorption of exogenous and reactive species, thus rationalizing the kinetic factors that stabilize the Au133 core size. This 144-atom to 133-atom nanomolecule's compositional change is reflected in optical spectroscopy and electrochemistry.

  8. EARLY STAGES OF CLUSTER FORMATION: FRAGMENTATION OF MASSIVE DENSE CORES DOWN TO {approx}< 1000 AU

    Energy Technology Data Exchange (ETDEWEB)

    Palau, Aina; Girart, Josep M. [Institut de Ciencies de l' Espai (CSIC-IEEC), Campus UAB-Facultat de Ciencies, Torre C5-parell 2, E-08193 Bellaterra, Catalunya (Spain); Fuente, Asuncion [Observatorio Astronomico Nacional, P.O. Box 112, E-28803 Alcala de Henares, Madrid (Spain); Estalella, Robert [Departament d' Astronomia i Meteorologia (IEEC-UB), Institut de Ciencies del Cosmos, Universitat de Barcelona, Marti Franques, 1, E-08028 Barcelona (Spain); Ho, Paul T. P.; Zhang, Qizhou [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Sanchez-Monge, Alvaro; Fontani, Francesco; Cesaroni, Riccardo [Osservatorio Astrofisico di Arcetri, INAF, Lago E. Fermi 5, I-50125 Firenze (Italy); Busquet, Gemma [INAF-Istituto di Astrofisica e Planetologia Spaziali, Area di Recerca di Tor Vergata, Via Fosso Cavaliere 100, I-00133 Roma (Italy); Commercon, Benoit; Hennebelle, Patrick [Laboratoire de Radioastronomie, UMR CNRS 8112, Ecole Normale Superieure et Observatoire de Paris, 24 rue Lhomond, F-75231 Paris Cedex 05 (France); Boissier, Jeremie [Istituto di Radioastronomia, INAF, Via Gobetti 101, I-40129 Bologna (Italy); Zapata, Luis A., E-mail: palau@ieec.uab.es [Centro de Radioastronomia y Astrofisica, Universidad Nacional Autonoma de Mexico, P.O. Box 3-72, 58090 Morelia, Michoacan (Mexico)

    2013-01-10

    In order to study the fragmentation of massive dense cores, which constitute the cluster cradles, we observed the continuum at 1.3 mm and the CO (2-1) emission of four massive cores with the Plateau de Bure Interferometer in the most extended configuration. We detected dust condensations down to {approx}0.3 M {sub Sun} and separate millimeter sources down to 0.''4 or {approx}< 1000 AU, comparable to the sensitivities and separations reached in optical/infrared studies of clusters. The CO (2-1) high angular resolution images reveal high-velocity knots usually aligned with previously known outflow directions. This, in combination with additional cores from the literature observed at similar mass sensitivity and spatial resolution, allowed us to build a sample of 18 protoclusters with luminosities spanning three orders of magnitude. Among the 18 regions, {approx}30% show no signs of fragmentation, while 50% split up into {approx}> 4 millimeter sources. We compiled a list of properties for the 18 massive dense cores, such as bolometric luminosity, total mass, and mean density, and found no correlation of any of these parameters with the fragmentation level. In order to investigate the combined effects of the magnetic field, radiative feedback, and turbulence in the fragmentation process, we compared our observations to radiation magnetohydrodynamic simulations and found that the low-fragmented regions are reproduced well in the magnetized core case, while the highly fragmented regions are consistent with cores where turbulence dominates over the magnetic field. Overall, our study suggests that the fragmentation in massive dense cores could be determined by the initial magnetic field/turbulence balance in each particular core.

  9. Vacancy Clusters on Surfaces of Au Nanoparticles Embedded in MgO

    International Nuclear Information System (INIS)

    Xu, Jun; Mills, A. P. Jr.; Ueda, A.; Henderson, D. O.; Suzuki, R.; Ishibashi, S.

    1999-01-01

    MeV implantation of gold ions into MgO(100) followed by annealing is a method to form gold nanoparticles for obtaining modified optical properties. We show from variable-energy positron spectroscopy that clusters of 2 Mg and 2 O vacancies (v 4 ) are attached to the gold nanoparticle surfaces within the projected range (R p ) . We also find that v 4 vacancy clusters are created at depths less than R p , and extend into the region greater than R p due to damage induced by knock-on collisions. (c) 1999 The American Physical Society

  10. Au/ZnO nanoarchitectures with Au as both supporter and antenna of visible-light

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Tianyu; Chen, Wei; Hua, Yuxiang; Liu, Xiaoheng, E-mail: xhliu@mail.njust.edu.cn

    2017-01-15

    Highlights: • An inversed Au/ZnO nanostructure was fabricated with ZnO loaded onto Au. • The Au/ZnO nanocomposites showed enhanced properties in visible-light photocatalysis. • The SPR effect of Au was considered important for visible-light photocatalysis. - Abstract: In this paper, we fabricate Au/ZnO nanostructure with smaller ZnO nanoparticles loaded onto bigger gold nanoparticles via combining seed-mediated method and sol-gel method. The obtained Au/ZnO nanocomposites exhibit excellent properties in photocatalysis process like methyl orange (MO) degradation and oxidative conversion of methanol into formaldehyde under visible light irradiation. The enhanced properties were ascribed to the surface plasmon resonance (SPR) effect of Au nanoparticles, which could contribute to the separation of photo-excited electrons and holes and facilitate the process of absorbing visible light. This paper contributes to the emergence of multi-functional nanocomposites with possible applications in visible-light driven photocatalysts and makes the Au/ZnO photocatalyst an exceptional choice for practical applications such as environmental purification of organic pollutants in aqueous solution and the synthesis of fine chemicals and intermediates.

  11. Au/ZnO nanoarchitectures with Au as both supporter and antenna of visible-light

    International Nuclear Information System (INIS)

    Liu, Tianyu; Chen, Wei; Hua, Yuxiang; Liu, Xiaoheng

    2017-01-01

    Highlights: • An inversed Au/ZnO nanostructure was fabricated with ZnO loaded onto Au. • The Au/ZnO nanocomposites showed enhanced properties in visible-light photocatalysis. • The SPR effect of Au was considered important for visible-light photocatalysis. - Abstract: In this paper, we fabricate Au/ZnO nanostructure with smaller ZnO nanoparticles loaded onto bigger gold nanoparticles via combining seed-mediated method and sol-gel method. The obtained Au/ZnO nanocomposites exhibit excellent properties in photocatalysis process like methyl orange (MO) degradation and oxidative conversion of methanol into formaldehyde under visible light irradiation. The enhanced properties were ascribed to the surface plasmon resonance (SPR) effect of Au nanoparticles, which could contribute to the separation of photo-excited electrons and holes and facilitate the process of absorbing visible light. This paper contributes to the emergence of multi-functional nanocomposites with possible applications in visible-light driven photocatalysts and makes the Au/ZnO photocatalyst an exceptional choice for practical applications such as environmental purification of organic pollutants in aqueous solution and the synthesis of fine chemicals and intermediates.

  12. Giant magnetoresistive properties of FexAu100-x alloys produced by mechanical alloying

    International Nuclear Information System (INIS)

    Socolovsky, L.M.; Sanchez, F.H.; Shingu, P.H.

    2001-01-01

    The Fe x Au 100- x alloys were produced for the first time by mechanical alloying. Resistance of samples with iron concentrations of x=15, 20, 25, and 30 at% were measured at 77 K under an applied field of 14 kOe. A maximum in magnetoresistive ratio (Δρ/ρ) of 3.5% was obtained for Fe 25 Au 75 . Samples were annealed in order to enhance magnetoresistive properties. These samples exhibit larger ratios, primarily due to the elimination of defects. X-ray diffraction Moessbauer spectroscopy and magnetoresistance measurements were performed, in order to correlate bulk and hyperfine magnetic properties with crystalline structure. X-ray diffractograms show an FCC structure, with no evidence for a BCC one

  13. Ab Initio Theoretical Investigation on the Geometrical and Electronic Structures of AlAun-/0 (n = 2-4) Clusters%Ab Initio Theoretical Investigation on the Geometrical and Electronic Structures of AlAun-/0 (n = 2-4) Clusters

    Institute of Scientific and Technical Information of China (English)

    YAO Wen-Zhi; YAO Jian-Bin; LI Si-Dian

    2012-01-01

    A systematic density functional theory and wave function theory investigation on the geometrical and electronic properties of A1Aun0/" (n = 2-4) clusters has been performed in this work. A1Aun- anions prove to possess ground states of the V-shaped C2v A1Au2, umbrella-shaped C3v A1Au3, and perfect tetrahedral Td A1Au4", while their neutrals favor the V-shaped CEv A1Au2, perfect planar triangular D3h A1Au3, and severely distorted Cs A1Au4, respectively. Aluminum aurides appear to be analogous to the corresponding aluminum hydrides, expect C~ A1Au4. Molecular orbitals (MOs) analyses also support this conclusion. Detailed orbital analyses indicate that Au 6s makes 94-96% and Au 5d makes 6-4% contribution to the Au-based orbitals in A1-Au bonds, which is smaller than the BAun0/- series, partially reflecting the relativistic effect of gold. The one-electron detachment energies of the anions and characteristic stretching vibrational frequencies of A1-Au bonds between 100-400 cm-1 have been calculated to facilitate future experimental characterization of these clusters.

  14. Investigation of Carbon Monoxide Adsorption on Cationic Gold- Palladium Clusters

    Science.gov (United States)

    Chen, Yang-Mei; Kuang, Xiao-Yu; Sheng, Xiao-Wei; Wang, Huai-Qian; Shao, Peng; Zhong, Min-Ming

    2013-11-01

    Density functional calculations have been performed for the carbon monoxide molecule adsorption on AunPd+m(n+m ≤ 6) clusters. In the process of CO adsorption, small Au clusters and Pd clusters tend to be an Au atom and three Pd atoms adsorption, respectively. For the mixed Au-Pd clusters, an Au atom, a Pd atom, two atoms consisted of an Au atom and a Pd atom, two Pd atoms, and three Pd atoms adsorption structures are displayed. The highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gaps and natural bond orbital charge population are calculated. Moreover, CO adsorption energy, CO stretching frequency, and CO bond length (upon adsorption) are also analysed in detail. The results predict that the adsorption strength of Au clusters with CO and the C-O vibration strength is enhanced and reduced after doping of Pd in the AunPdmCO+ complexes, respectively

  15. Resonance production and exotic clusters in Au+Au, d+Au and p+p collisions at √(s) = 200 AGeV

    International Nuclear Information System (INIS)

    Besliu, Calin; Jipa, Alexandru; Lungescu, Andrea; Zgura, Sorin

    2004-01-01

    The resonance production in Au+Au, d+Au and p+p collisions at √(s) = 200 AGeV are presented. The resonances are used as a sensitive tool to examine the collision dynamics in the hadronic medium through their decay and regeneration. The modification of resonance mass, width, and shape due to phase space and dynamical effects are also discussed. The measurement of resonances provides an important tool for studying the dynamics in relativistic heavy-ion collisions by probing the time evolution of the source from chemical to kinetic freeze-out and the hadronic interactions at later stages

  16. Single-crystal Au microflakes modulated by amino acids and their sensing and catalytic properties.

    Science.gov (United States)

    Li, Mingjie; Wu, Xiaochen; Zhou, Jiyu; Kong, Qingshan; Li, Chaoxu

    2016-04-01

    Single-crystal Au microflakes with the planar area over 10(3)μm(2) (i.e. being accessible to the human eye resolution) were synthesized in an environment-friendly route by directing two-dimensional growth of Au nanocrystals into macroscopic scales with amino acids as both reducing agents and capping agents. Side groups of amino acids were found to be a determinant parameter to tune the dimension and size of Au single crystals. The successful synthesis of Au microflakes provides an unprecedented opportunity to bridge nanotechnology and macroscopic devices, and hereby to start a new scenario of exploring their unique properties and applications in optoelectronic devices and bio-sensing fields across multiple length scales. For example, Au microflakes respond to air humidity upon depositing on films of chitin nanofibrils, and sense various physiological molecules as electrode materials of biosensors. Copyright © 2016 Elsevier Inc. All rights reserved.

  17. Exchange bias effect in Au-Fe3O4 nanocomposites

    International Nuclear Information System (INIS)

    Chandra, Sayan; Frey Huls, N A; Phan, M H; Srinath, S; Srikanth, H; Garcia, M A; Lee, Youngmin; Wang, Chao; Sun, Shouheng; 2UB, Universitat de Barcelona, Avenida Diagonal 647, E-08028 Barcelona (Spain))" data-affiliation=" (Departament de Física Fonamental and Institut de Nanociència i Nanotecnologia IN2UB, Universitat de Barcelona, Avenida Diagonal 647, E-08028 Barcelona (Spain))" >Iglesias, Òscar

    2014-01-01

    We report exchange bias (EB) effect in the Au-Fe 3 O 4 composite nanoparticle system, where one or more Fe 3 O 4 nanoparticles are attached to an Au seed particle forming ‘dimer’ and ‘cluster’ morphologies, with the clusters showing much stronger EB in comparison with the dimers. The EB effect develops due to the presence of stress at the Au-Fe 3 O 4 interface which leads to the generation of highly disordered, anisotropic surface spins in the Fe 3 O 4 particle. The EB effect is lost with the removal of the interfacial stress. Our atomistic Monte Carlo studies are in excellent agreement with the experimental results. These results show a new path towards tuning EB in nanostructures, namely controllably creating interfacial stress, and opens up the possibility of tuning the anisotropic properties of biocompatible nanoparticles via a controllable exchange coupling mechanism. (paper)

  18. DFT study on stability and H{sub 2} adsorption activity of bimetallic Au{sub 79−n}Pd{sub n} (n = 1–55) clusters

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xuejing [State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China); Tian, Dongxu, E-mail: tiandx@dlut.edu.cn [State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China); Meng, Changgong [State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China)

    2013-03-29

    Highlights: ► Stability of Pd substitution type is face > mid-edge > corner > edge. ► H{sub 2} adsorption activity is in contrast with the stability of Pd substitution type. ► Non-activated dissociation of H{sub 2} occurs in Au{sub 36}Pd{sub 43−3} with high thermal stability. ► ε{sub d} agrees with that Pd at edge and corner are more active than face and mid-edge. - Abstract: The stability and H{sub 2} adsorption activity of bimetallic Au{sub 79−n}Pd{sub n} (n = 1–55) clusters were studied by density functional theory with GGA-PW91 functional. The stability order for four Pd substitution types is face > mid-edge > corner > edge, and the stability is improved with increasing Pd content. In contrast with the stability order, H{sub 2} adsorption activity is corner ≈ edge > mid-edge > face. The Au{sub 36}Pd{sub 43} (3) with Au:Pd ≈ 1:1 ratio and twenty-four Pd substitutions at (1 1 1) facets and nineteen Pd substitutions at subshell sites shows high stability and H{sub 2} non-activated dissociation activity. The partial density of d-states and d band center revealed that the electronic properties are closely associated with the geometric characteristic and adsorption activity. Correlating the d band center ε{sub d} and the adsorption energies, the ε{sub d} order agrees with the adsorption activity that the Pd substitution at edge and corner sites are more active than at face and mid-edge sites.

  19. Influence of hydrofluoric acid treatment on electroless deposition of Au clusters

    Directory of Open Access Journals (Sweden)

    Rachela G. Milazzo

    2017-01-01

    Full Text Available The morphology of gold nanoparticles (AuNPs deposited on a (100 silicon wafer by simple immersion in a solution containing a metal salt and hydrofluoric acid (HF is altered by HF treatment both before and after deposition. The gold clusters are characterized by the presence of flat regions and quasispherical particles consistent with the layer-by-layer or island growth modes, respectively. The cleaning procedure, including HF immersion prior to deposition, affects the predominantly occurring gold structures. Flat regions, which are of a few tens of nanometers long, are present after immersion for 10 s. The three-dimensional (3D clusters are formed after a cleaning procedure of 4 min, which results in a large amount of spherical particles with a diameter of ≈15 nm and in a small percentage of residual square layers of a few nanometers in length. The samples were also treated with HF after the deposition and we found out a general thickening of flat regions, as revealed by TEM and AFM analysis. This result is in contrast to the coalescence observed in similar experiments performed with Ag. It is suggested that the HF dissolves the silicon oxide layer formed on top of the thin flat clusters and promotes the partial atomic rearrangement of the layered gold atoms, driven by a reduction of the surface energy. The X-ray diffraction investigation indicated changes in the crystalline orientation of the flat regions, which partially lose their initially heteroepitaxial relationship with the substrate. A postdeposition HF treatment for almost 70 s has nearly the same effect of long duration, high temperature annealing. The process presented herein could be beneficial to change the spectral response of nanoparticle arrays and to improve the conversion efficiency of hybrid photovoltaic devices.

  20. Theoretical study on the photocatalytic properties of graphene oxide with single Au atom adsorption

    Science.gov (United States)

    Ju, Lin; Dai, Ying; Wei, Wei; Li, Mengmeng; Jin, Cui; Huang, Baibiao

    2018-03-01

    The photocatalytic properties of graphene oxide (GO) with single Au atom adsorption are studied via the first-principles calculations based on the density functional theory. The present study addresses the origin of enhancement in photocatalytic efficiency of GO derived from single Au atom depositing. Compared with the clean one, the work function of the single Au atom adsorbed GO is lowered due to the charge transfer from Au to GO, indicating enhanced surface activity. The Au atom plays as an electron trapping center and a mediating role in charge transfer from photon excited GO to target species. The photogenerated electron-hole pairs can be separated effectively. For the GO configuration with atomic Au dispersion, there are some states introduced in the band gap, which are predominantly composed of Au 6s states. Through the in-gap state, the photo-generated electron transfer from the valence band of clean GO to the conductive band more easily. In addition, the reduction of the gap in the system is also presented in the current work, which indicates that the single Au atom adsorption improves light absorption for the GO based photocatalyst. These theoretical results are valuable for the future applications of GO materials as photocatalyst for water splitting.

  1. Structural and optical studies of Au doped titanium oxide films

    Energy Technology Data Exchange (ETDEWEB)

    Alves, E., E-mail: ealves@itn.pt [Instituto Tecnologico e Nuclear (ITN), 2686-953 Sacavem (Portugal); Centro de Fisica Nuclear da Universidade de Lisboa, Av. Gama Pinto, 21649-003 Lisboa (Portugal); Franco, N.; Barradas, N.P. [Instituto Tecnologico e Nuclear (ITN), 2686-953 Sacavem (Portugal); Centro de Fisica Nuclear da Universidade de Lisboa, Av. Gama Pinto, 21649-003 Lisboa (Portugal); Nunes, B. [Instituto Tecnologico e Nuclear (ITN), 2686-953 Sacavem (Portugal); Lopes, J. [Instituto Superior de Engenharia de Lisboa (Portugal); Cavaleiro, A. [SEC-CEMUC - Universidade de Coimbra, Dept. Eng. Mecanica, Polo II, 3030-788 Coimbra (Portugal); Torrell, M.; Cunha, L.; Vaz, F. [Centro de Fisica, Universidade do Minho, 4800-058 Guimaraes (Portugal)

    2012-02-01

    Thin films of TiO{sub 2} were doped with Au by ion implantation and in situ during the deposition. The films were grown by reactive magnetron sputtering and deposited in silicon and glass substrates at a temperature around 150 Degree-Sign C. The undoped films were implanted with Au fluences in the range of 5 Multiplication-Sign 10{sup 15} Au/cm{sup 2}-1 Multiplication-Sign 10{sup 17} Au/cm{sup 2} with a energy of 150 keV. At a fluence of 5 Multiplication-Sign 10{sup 16} Au/cm{sup 2} the formation of Au nanoclusters in the films is observed during the implantation at room temperature. The clustering process starts to occur during the implantation where XRD estimates the presence of 3-5 nm precipitates. After annealing in a reducing atmosphere, the small precipitates coalesce into larger ones following an Ostwald ripening mechanism. In situ XRD studies reveal that Au atoms start to coalesce at 350 Degree-Sign C, reaching the precipitates dimensions larger than 40 nm at 600 Degree-Sign C. Annealing above 700 Degree-Sign C promotes drastic changes in the Au profile of in situ doped films with the formation of two Au rich regions at the interface and surface respectively. The optical properties reveal the presence of a broad band centered at 550 nm related to the plasmon resonance of gold particles visible in AFM maps.

  2. Cosmological aspects and properties evolution of galaxy clusters

    International Nuclear Information System (INIS)

    Majerowicz, Sebastien

    2003-01-01

    In the standard scenario for galaxy cluster formation, galaxy clusters form by material accretion and violent merger events. Between two merger events, galaxy cluster components which are the dark matter (75 %), the intra-cluster medium (20 %) and the galaxies (5 %), reach for equilibrium. The intra-cluster medium is the main baryonic component. This is a hot optically thin gas and its temperature tells something about the gravitational potential well. This well is essentially the consequence of the dark matter distribution. The intra-cluster medium is so hot than its emission produces only x-ray photons. We studied the properties of the intra-cluster medium for some clusters by using the observations coming from the european satellite XMM-NEWTON [fr

  3. Insight into the electronic structure of the supramolecular “rods-in-belt” Au{sup I}-Cu{sup I} and Au{sup I}-Ag{sup I} self-assembled complexes from X-ray photoelectron and absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Makarova, Anna A. [Department of Physics, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Institut für Festkörperphysik, Technische Universität Dresden, D-01062 Dresden (Germany); Grachova, Elena V.; Krupenya, Dmitry V. [Department of Chemistry, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Vilkov, Oleg [Department of Physics, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Institut für Festkörperphysik, Technische Universität Dresden, D-01062 Dresden (Germany); Fedorov, Alexander [Department of Physics, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden, Dresden (Germany); Usachov, Dmitry [Department of Physics, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Generalov, Alexander [Department of Physics, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Institut für Festkörperphysik, Technische Universität Dresden, D-01062 Dresden (Germany); Koshevoy, Igor O. [Department of Chemistry, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Department of Chemistry, University of Eastern Finland, Joensuu 80101 (Finland); Tunik, Sergey P. [Department of Chemistry, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Rühl, Eckart [Physikalische Chemie, Institut für Chemie und Biochemie Freie Universität Berlin (Germany); and others

    2014-01-01

    Highlights: • Electronic structure of rods-in-belt complexes was described via PES and NEXAFS. • With increasing size the molecule becomes more sensitive to X-ray damage effects. • The HOMO consists of a combination of the d-Cu/Ag and π-C≡C states. • HOMOs are positioned at about 2.2 eV for Au-Cu and 2.5 eV BE for Au-Ag complexes. • LUMOs are located on the C-skeleton including π*-C≡C and π*-C=C{sub aromatic} orbitals. - Abstract: The recently discovered “rods-in-belt” supramolecular complexes with Au-Cu or Au-Ag cluster cores exhibit self-assembly behavior, have a very unusual structural motif, and what is most important, show remarkable light emitting properties. The electronic and photophysical characteristics of these unique objects can be relatively easy tuned by modifying the ligand (alkynyl and phosphine) environment. Because of these properties the “rods-in-belt” supramolecules could serve as building blocks for next generation electronics, and in particular, for light-emitting devices and in bioimaging applications. Herein, we report a comprehensive characterization of the electronic structure of two families of alkynyl-diphosphine supramolecular complexes with the heterometallic Au-Cu and Au-Ag cores. Using X-ray photoemission and absorption spectroscopy we disentangled the structure of their occupied and unoccupied electronic states close to the Fermi level. The results obtained suggest that the major contribution to the highest occupied molecular orbitals is made by the triple bonded carbons hosted in the dialkynyl-gold “rods” and the copper (silver) atoms from the central cluster core of the heterometallic Au-Cu (Au-Ag) molecules. The lowest unoccupied molecular orbitals are located on the carbon skeleton of the complexes and include π*-C≡C and π*-C=C{sub aromatic} orbitals. The onset of the valence band in the Au-Ag systems starts at about 0.3 eV lower than that in the Au-Cu complexes, implying a slightly larger energy

  4. Positron lifetime in vacancy clusters. Application to the study of vacancy-impurity interactions

    International Nuclear Information System (INIS)

    Corbel, C.

    1986-02-01

    Positron lifetime measurements are used to study the vacancy recovery (77-650 K) in 20 K electron irradiated dilute gold or iron alloys in stainless steels. Positron lifetimes in clusters of various shapes and structures are calculated to precise the information obtained by measuring the positron lifetime in a vacancy cluster of unknown size and configuration. From the calculations, we have drawn the following conclusions: - the minimal size of an unknown cluster can be deduced from the measurement of the positron lifetime in the cluster; - a decrease of the positron lifetime when the structure of the cluster evolves, means either a decrease of the size of the cluster, or, the appearance of a relaxed configuration. - The positron lifetime is very useful to discriminate between a spatial planar or relaxed configuration and a tri-dimensional one. In AuGe, AuSb, AuTn alloys, vacancy clusters decorated by solute atoms appear at 250 K. Their configurations are different from those in pure Au. Mobile vacancy-solutes complexes are involved in the clustering process in AuGe, AuSb. The clusters are probably decorated by several solute atoms in AuGe and AuSb where the resistivity evidences a clustering of solute atoms. In AuFe, vacancy-single or multi-complexes stable up to 670 K prevent cluster formation. In FeTi, FeSb, FeAu, vacancy migration is hindered by the formation of vacancy-solute complexes up to 315 K (Ti), up to 670 K (Sb), up to 700 K (Au). In FeSi, FeCu, FeAg, tri-dimensional clusters grow less easily than Fe. This is likely due to the formation of several kinds of small decorated clusters with relaxed or planar configurations. They are peculiarly stable, surviving up to 700 K at least. In Si (resp. Ti) doped 59Fe25Ni16Cr, solute atoms retain the vacancies up to 300 K (resp. 320 K) [fr

  5. Single Nucleotide Polymorphism Detection Using Au-Decorated Single-Walled Carbon Nanotube Field Effect Transistors

    Directory of Open Access Journals (Sweden)

    Keum-Ju Lee

    2011-01-01

    Full Text Available We demonstrate that Au-cluster-decorated single-walled carbon nanotubes (SWNTs may be used to discriminate single nucleotide polymorphism (SNP. Nanoscale Au clusters were formed on the side walls of carbon nanotubes in a transistor geometry using electrochemical deposition. The effect of Au cluster decoration appeared as hole doping when electrical transport characteristics were examined. Thiolated single-stranded probe peptide nucleic acid (PNA was successfully immobilized on Au clusters decorating single-walled carbon nanotube field-effect transistors (SWNT-FETs, resulting in a conductance decrease that could be explained by a decrease in Au work function upon adsorption of thiolated PNA. Although a target single-stranded DNA (ssDNA with a single mismatch did not cause any change in electrical conductance, a clear decrease in conductance was observed with matched ssDNA, thereby showing the possibility of SNP (single nucleotide polymorphism detection using Au-cluster-decorated SWNT-FETs. However, a power to discriminate SNP target is lost in high ionic environment. We can conclude that observed SNP discrimination in low ionic environment is due to the hampered binding of SNP target on nanoscale surfaces in low ionic conditions.

  6. Prominent transverse flow of clusters in stopped Au(150AMeV)+Au reactions

    International Nuclear Information System (INIS)

    Coffin, J.P.; Kuhn, C.; Roy, C.; Cerruti, C.; Crochet, P.; Fintz, P.; Guillaume, G.; Houari, A.; Jundt, F.; Rami, F.; Tizniti, L.; Wagner, P.; Konopka, J.; Stoecker, H.

    1995-01-01

    Stopped Au(150AMeV)+Au collisions have been measured with the FOPI-Detector at GSI by imposing an upper limit on the ratio of the global longitudinal momentum to the collected charge within an event. The ejectiles, in particular those with Z>3, have a rapidity close to mid-rapidity and exhibit angular distributions in the centre-of-mass strongly peaking around 90 thus suggesting an enhancement of the flow in the transverse direction. Fits to the data and comparisons with QMD calculations indicate an averaged collective velocity in the transverse direction equal to 0.12c. Significance of the determined velocity and temperature values is discussed. ((orig.))

  7. Electrical properties of pseudo-single-crystalline Ge films grown by Au-induced layer exchange crystallization at 250 °C

    Science.gov (United States)

    Higashi, H.; Kudo, K.; Yamamoto, K.; Yamada, S.; Kanashima, T.; Tsunoda, I.; Nakashima, H.; Hamaya, K.

    2018-06-01

    We study the electrical properties of pseudo-single-crystalline Ge (PSC-Ge) films grown by a Au-induced layer exchange crystallization method at 250 °C. By inserting the SiNx layer between PSC-Ge and SiO2, we initiatively suppress the influence of the Ge/SiO2 interfacial defective layers, which have been reported in our previous works, on the electrical properties of the PSC-Ge layers. As a result, we can detect the influence of the ionized Au+ donors on the temperature-dependent hole concentration and Hall mobility. To further examine their electrical properties in detail, we also fabricate p-thin-film transistors (TFTs) with the PSC-Ge layer. Although the off-state leakage currents are suppressed by inserting the SiNx layer, the value of on/off ratio remains poor (leakage current although a nominal field effect mobility is enhanced up to ˜25 cm2/V s. Considering these features, we conclude that the Au contaminations into the PSC-Ge layer can affect the electrical properties and device performances despite a low-growth temperature of 250 °C. To achieve further high-performance p-TFTs, we have to suppress the Au contaminations into PSC-Ge during the Au-induced crystallization growth.

  8. Label-free sensitive luminescence biosensor for immunoglobulin G based on Ag6Au6 ethisterone cluster-estrogen receptor α aggregation and graphene.

    Science.gov (United States)

    Chen, Nannan; Guo, Wenjing; Lin, Zhixiang; Wei, Qiaohua; Chen, Guonan

    2018-08-01

    A specific and label-free "on-off-on" luminescence biosensor based on a novel heterometallic cluster [Ag 6 Au 6 (ethisterone) 12 ]-estrogen receptor α (Ag 6 Au 6 Eth-ERα) aggregation utilizing graphene oxide (GO) as a quencher to lead a small background signal was firstly constructed to detect immunoglobulin G (IgG) with a simple process and high selectivity. The efficient photoluminescent (PL) Ag 6 Au 6 Eth-ERα aggregation is strongly quenched by GO. In the presence of IgG, the PL of this system will be restored, and perceivable by human eyes under UV lamp excitation (365 nm). The quenching mechanism of GO on Ag 6 Au 6 Eth-ERα and enhancement mechanism of IgG on Ag 6 Au 6 Eth-ERα-GO were investigated in detail. Under the optimum conditions, the biosensor for high sensitive IgG detection expressed a wider linear range of 0.0078-10 ng/mL and a lower detection limit of 0.65 pg/mL with good stability and repeatability, which provided a new approach for label-free IgG detection. Copyright © 2018 Elsevier B.V. All rights reserved.

  9. Charge-Transfer Effects in Ligand Exchange Reactions of Au25 Monolayer-Protected Clusters.

    Science.gov (United States)

    Carducci, Tessa M; Blackwell, Raymond E; Murray, Royce W

    2015-04-16

    Reported here are second-order rate constants of associative ligand exchanges of Au25L18 nanoparticles (L = phenylethanethiolate) of various charge states, measured by proton nuclear magnetic resonance at room temperature and below. Differences in second-order rate constants (M(-1) s(-1)) of ligand exchange (positive clusters ∼1.9 × 10(-5) versus negative ones ∼1.2 × 10(-4)) show that electron depletion retards ligand exchange. The ordering of rate constants between the ligands benzeneselenol > 4-bromobenzene thiol > benzenethiol reveals that exchange is accelerated by higher acidity and/or electron donation capability of the incoming ligand. Together, these observations indicate that partial charge transfer occurs between the nanoparticle and ligand during the exchange and that this is a rate-determining effect in the process.

  10. Structural properties of gold clusters at different temperatures

    CSIR Research Space (South Africa)

    Mahladisa, MA

    2005-09-01

    Full Text Available A series of gold clusters consisting of aggregates of from 13 to 147 atoms was studied using the Sutton-Chen type many-body potential in molecular dynamics simulations. The properties of these clusters at temperatures from 10 K to 1000 K were...

  11. Properties of liquid clusters in large-scale molecular dynamics nucleation simulations

    International Nuclear Information System (INIS)

    Angélil, Raymond; Diemand, Jürg; Tanaka, Kyoko K.; Tanaka, Hidekazu

    2014-01-01

    We have performed large-scale Lennard-Jones molecular dynamics simulations of homogeneous vapor-to-liquid nucleation, with 10 9 atoms. This large number allows us to resolve extremely low nucleation rates, and also provides excellent statistics for cluster properties over a wide range of cluster sizes. The nucleation rates, cluster growth rates, and size distributions are presented in Diemand et al. [J. Chem. Phys. 139, 74309 (2013)], while this paper analyses the properties of the clusters. We explore the cluster temperatures, density profiles, potential energies, and shapes. A thorough understanding of the properties of the clusters is crucial to the formulation of nucleation models. Significant latent heat is retained by stable clusters, by as much as ΔkT = 0.1ε for clusters with size i = 100. We find that the clusters deviate remarkably from spherical—with ellipsoidal axis ratios for critical cluster sizes typically within b/c = 0.7 ± 0.05 and a/c = 0.5 ± 0.05. We examine cluster spin angular momentum, and find that it plays a negligible role in the cluster dynamics. The interfaces of large, stable clusters are thinner than planar equilibrium interfaces by 10%−30%. At the critical cluster size, the cluster central densities are between 5% and 30% lower than the bulk liquid expectations. These lower densities imply larger-than-expected surface areas, which increase the energy cost to form a surface, which lowers nucleation rates

  12. Effects of cross-section on mechanical properties of Au nanowire

    Energy Technology Data Exchange (ETDEWEB)

    Vazinishayan, Ali; Yang, Shuming, E-mail: shuming.yang@mail.xjtu.edu.cn; Duongthipthewa, Anchalee; Wang, Yiming [State Key Laboratory for manufacturing system engineering, Xi’an Jiaotong University, Xi’an, 710049 (China)

    2016-02-15

    The aim of this paper is study of the effects of multiple cross-section of Au nanowire on mechanical properties. Different cross-section models of Au nanowires including circular, hexagonal, pentagonal and rectangular were simulated by finite element modeling using ABAQUS. In this study, the bending technique was applied so that both ends of the model were clamped with mid-span under loading condition. The cross-sections had the length of 400 nm and the diameter of 40 nm, except the circular cross-section while the rest of the cross-sections had an equivalent diameter. Von Misses stresses distribution were used to define the stress distribution in the cross-section under loading condition, and elastic deformation was analyzed by the beam theory. The results disclosed that the circular and the rectangular models had highest and lowest strengths against plastic deformation, respectively.

  13. Ultraviolet electroluminescence from Au/MgO/MgxZn1−xO heterojunction diodes and the observation of Zn-rich cluster emission

    International Nuclear Information System (INIS)

    Liu, C.Y.; Xu, H.Y.; Sun, Y.; Zhang, C.; Ma, J.G.; Liu, Y.C.

    2014-01-01

    In this work, ultraviolet (UV) electroluminescence (EL) is achieved from Au/MgO/Mg x Zn 1−x O heterojunction diodes. The EL mechanism and laser forming process are discussed based on the energy band diagram, impact-ionization process and disordered optical structure. For ZnO and low Mg-content MgZnO devices, their EL spectra show single near-band-edge (NBE) emission. While in high Mg-content MgZnO devices, the emission from self-formed Zn-rich MgZnO clusters is observed and also contribute to the UV EL band. These Zn-rich clusters can act as thermally-stable luminescence centers, suggesting a promising route for developing MgZnO-based UV light-emitting devices. -- Highlights: • A series of Au/MgO/Mg x Zn 1−x O heterojunction diodes with multiple Mg compositions are fabricated and ultraviolet electroluminescence is achieved. • EL mechanism and laser forming process are discussed based on energy band diagram, impact-ionization process and disordered optical structure. • The transition from spontaneous to stimulated emission is observed in these heterojunctions, and the lasing mode is random laser. • In high Mg-content MgZnO devices, the emission from self-formed Zn-rich clusters is observed, which are thermally stable luminescence centers

  14. Role of Anions Associated with the Formation and Properties of Silver Clusters.

    Science.gov (United States)

    Wang, Quan-Ming; Lin, Yu-Mei; Liu, Kuan-Guan

    2015-06-16

    Metal clusters have been very attractive due to their aesthetic structures and fascinating properties. Different from nanoparticles, each cluster of a macroscopic sample has a well-defined structure with identical composition, size, and shape. As the disadvantages of polydispersity are ruled out, informative structure-property relationships of metal clusters can be established. The formation of a high-nuclearity metal cluster involves the organization of metal ions into a complex entity in an ordered way. To achieve controllable preparation of metal clusters, it is helpful to introduce a directing agent in the formation process of a cluster. To this end, anion templates have been used to direct the formation of high nuclearity clusters. In this Account, the role of anions played in the formation of a variety of silver clusters has been reviewed. Silver ions are positively charged, so anionic species could be utilized to control the formation of silver clusters on the basis of electrostatic interactions, and the size and shape of the resulted clusters can be dictated by the templating anions. In addition, since the anion is an integral component in the silver clusters described, the physical properties of the clusters can be modulated by functional anions. The templating effects of simple inorganic anions and polyoxometales are shown in silver alkynyl clusters and silver thiolate clusters. Intercluster compounds are also described regarding the importance of anions in determining the packing of the ion pairs and making contribution to electron communications between the positive and negative counterparts. The role of the anions is threefold: (a) an anion is advantageous in stabilizing a cluster via balancing local positive charges of the metal cations; (b) an anion template could help control the size and shape of a cluster product; (c) an anion can be a key factor in influencing the function of a cluster through bringing in its intrinsic properties. Properties

  15. Physicochemical and catalytic properties of Au nanorods micro-assembled in solvents of varying dipole moment and refractive index

    Energy Technology Data Exchange (ETDEWEB)

    Kaur, Rupinder; Pal, Bonamali, E-mail: bpal@thapar.edu

    2015-02-15

    Highlights: • Physicochemical activities of Au nanorods in water largely differ from organic solvents. • Au nanorods agglomeration increased with dipole moments of different polar solvents. • Refractive indexes of Au nanorods dispersion in various polar solvents are enhanced. • Electrokinetics significantly altered depending on agglomerated size of Au nanorods. • Catalysis or co-catalysis activity is varied as per the extent of Au nanorods coagulation. - Abstract: This paper deals with the impact of dipole moment (1.66–3.96 D) and refractive index (1.333–1.422) of the dispersion solvent on the plasmon absorption, surface charge, zeta potential, and adsorption properties of Au nanorods (AuNRs). AuNRs (length ≈ 53 nm and width ≈ 20 nm) undergo agglomeration (size 50–180 nm) with increase in the dipole moment of solvent (iPrOH < MeOH < DMF < DMSO). Whereas, no such coagulation occurs in H{sub 2}O and CCl{sub 4} suspension as confirmed by DLS and TEM size distribution. The electrostatic interaction of AuNRs with its surface adsorbed solvent dipoles leads to alteration of the their ionic state, absolute electronic charge and zeta potential (+49.79 mV in H{sub 2}O, +8.99 mV in DMF and −4.65 mV in MeOH dispersion) to a greater extent. This interaction distinctly modifies the adsorption behavior of polar molecules like p-nitrophenol and salicylic acid on AuNRs surface, as evidenced by the measured changes in their electro-kinetic parameters. As a result, we observe a substantial difference in catalytic and co-catalytic activities of AuNRs dispersed in various solvents as mentioned above because the catalytic properties of AuNRs are strongly dependent on the type of solvent in which they are dispersed.

  16. Quantification of the clustering properties of nuclear states

    International Nuclear Information System (INIS)

    Beck, R.; Dickmann, F.

    1985-05-01

    The amount of particular type of clustering in a nuclear state is defined in this paper as the norm square of the projection of the wave function onto the particular cluster model subspace. It is pointed out that, although the clusters can not be localized in space by measurement, the amount of clustering characterizes the cluster formation in close analogy with a quantum mechanical probability. The cluster model component of the wave function is proved to have a variational property. This facilitates the computation of the amount of clustering. The model dependence of the amounts of various clusterings and their relationship to the corresponding spectroscopic factors are studied via numerical examples for two models of sup(6)Li. It is concluded that, in a relative sense, the spectroscopic factor, which is more directly related to experiment, is also characteristic of the clustering contents of different states of the same nucleus, but it can not be used for comparisons between different nuclei or clusterings. (author)

  17. Structural properties of small rhodium clusters

    Energy Technology Data Exchange (ETDEWEB)

    Soon, Yee Yeen; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technology, Multimedia University, Melaka Campus, 75450 Melaka (Malaysia)

    2015-04-24

    We report a systematic study of the structural properties of rhodium clusters at the atomistic level. A novel global-minimum search algorithm, known as parallel tempering multicanonical basin hopping plus genetic algorithm (PTMBHGA), is used to obtain the geometrical structures with lowest minima at the semi-empirical level where Gupta potential is used to describe the atomic interaction among the rhodium atoms. These structures are then re-optimized at the density functional theory (DFT) level with exchange-correlation energy approximated by Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA). The structures are optimized for different spin multiplicities. The ones with lowest energies will be taken as ground-state structures. In most cases, we observe only minor changes in the geometry and bond length of the clusters as a result of DFT-level re-optimization. Only in some limited cases, the initial geometries obtained from the PTMBHGA are modified by the re-optimization. The variation of structural properties, such as ground-state geometry, symmetry and binding energy, with respect to the cluster size is studied and agreed well with other results available in the literature.

  18. Mechanical Properties of Nanoporous Au: From Empirical Evidence to Phenomenological Modeling

    Directory of Open Access Journals (Sweden)

    Giorgio Pia

    2015-09-01

    Full Text Available The present work focuses on the development of a theoretical model aimed at relating the mechanical properties of nanoporous metals to the bending response of thick ligaments. The model describes the structure of nanoporous metal foams in terms of an idealized regular lattice of massive cubic nodes and thick ligaments with square cross-sections. Following a general introduction to the subject, model predictions are compared with Young’s modulus and the yield strength of nanoporous Au foams determined experimentally and available in literature. It is shown that the model provides a quantitative description of the elastic and plastic deformation behavior of nanoporous metals, reproducing to a satisfactory extent the experimental Young’s modulus and yield strength values of nanoporous Au.

  19. Controlling the Local Electronic Properties of Si(553)-Au through Hydrogen Doping

    Science.gov (United States)

    Hogan, C.; Speiser, E.; Chandola, S.; Suchkova, S.; Aulbach, J.; Schäfer, J.; Meyer, S.; Claessen, R.; Esser, N.

    2018-04-01

    We propose a quantitative and reversible method for tuning the charge localization of Au-stabilized stepped Si surfaces by site-specific hydrogenation. This is demonstrated for Si(553)-Au as a model system by combining density functional theory simulations and reflectance anisotropy spectroscopy experiments. We find that controlled H passivation is a two-step process: step-edge adsorption drives excess charge into the conducting metal chain "reservoir" and renders it insulating, while surplus H recovers metallic behavior. Our approach illustrates a route towards microscopic manipulation of the local surface charge distribution and establishes a reversible switch of site-specific chemical reactivity and magnetic properties on vicinal surfaces.

  20. Synthesis and Structure Determination of a New Au20 Nanocluster Protected by Tripodal Tetraphosphine Ligands

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Jing [Brown Univ., Providence, RI (United States); Zhang, Qianfan [Brown Univ., Providence, RI (United States); Williard, Paul G. [Brown Univ., Providence, RI (United States); Wang, Lai-Sheng [Brown Univ., Providence, RI (United States)

    2014-03-31

    We report the synthesis and structure determination of a new Au20 nanocluster coordinated by four tripodal tetraphosphine (PP3) ligands {PP3 = tris[2-(diphenylphosphino)ethyl]phosphine}. Single-crystal Xray crystallography and electrospray ionization mass spectrometry show that the cluster assembly can be formulated as [Au20(PP3)4]Cl4. The Au20 cluster consists of an icosahedral Au13 core and a seven-Au-atom partial outer shell arranged in a local C3 symmetry. One PP3 ligand coordinates to four Au atoms in the outer shell, while the other three PP3 ligands coordinate to one Au atom from the outer shell and three Au atoms from the surface of the Au13 core, giving rise to an overall chiral 16-electron Au cluster core with C3 symmetry.

  1. Properties of transparent and conductive Al:ZnO/Au/Al:ZnO multilayers on flexible PET substrates

    International Nuclear Information System (INIS)

    Dimopoulos, T.; Bauch, M.; Wibowo, R.A.; Bansal, N.; Hamid, R.; Auer, M.; Jäger, M.; List-Kratochvil, E.J.W.

    2015-01-01

    Highlights: • Transparent, low resistive AZO/Au/AZO layers were sputtered on PET substrates. • AZO/Au/AZO has higher figure of merit than ITO for specific Au thicknesses. • The resistance of AZO/Au/AZO is stable against repetitive substrate bending. • AZO/Au/AZO electrode performance is comparable to ITO in light emitting diodes. - Abstract: We investigate the structural, electrical and optical properties of transparent electrodes, consisting of Al-doped ZnO (AZO) and ultrathin Au layers, sputtered on polyethylene terephthalate (PET). These electrodes are relevant for optoelectronic devices and thin film photovoltaics. When deposited on AZO, Au films as thin as 3 nm form electrically conductive, meandering structures, whereas uniform Au films are obtained from a thickness of 5 nm. The sheet resistance decreases with Au thickness, reaching 7 Ω for 11 nm-thick Au. AZO/Au/AZO trilayers combine lowest resistance with highest transparency, while their resistance stability against bending fatigue is superior to the Sn-doped In 2 O 3 (ITO) electrode. The figure of merit of AZO/Au/AZO is larger than of ITO for Au thickness equal to or larger than 9 nm. To demonstrate the applicability of the AZO/Au/AZO transparent electrode, simple organic light emitting diodes were fabricated and tested in comparison to PET/ITO standard substrates

  2. Properties of transparent and conductive Al:ZnO/Au/Al:ZnO multilayers on flexible PET substrates

    Energy Technology Data Exchange (ETDEWEB)

    Dimopoulos, T., E-mail: theodoros.dimopoulos@ait.ac.at [AIT-Austrian Institute of Technology, Energy Department, Photovoltaic Systems, Giefinggasse 2, 1210, Vienna (Austria); Bauch, M.; Wibowo, R.A.; Bansal, N. [AIT-Austrian Institute of Technology, Energy Department, Photovoltaic Systems, Giefinggasse 2, 1210, Vienna (Austria); Hamid, R. [AIT-Austrian Institute of Technology, Mobility Department, Electric Drive Technologies, Giefinggasse 2, 1210, Vienna (Austria); Auer, M.; Jäger, M. [NanoTecCenter Weiz Forschungsgesellschaft mbH, Franz-Pichler Straße 32, A-8160 Weiz (Austria); List-Kratochvil, E.J.W. [NanoTecCenter Weiz Forschungsgesellschaft mbH, Franz-Pichler Straße 32, A-8160 Weiz (Austria); Institute of Solid State Physics, Graz University of Technology, Petersgasse 16, A-8010 Graz (Austria)

    2015-10-15

    Highlights: • Transparent, low resistive AZO/Au/AZO layers were sputtered on PET substrates. • AZO/Au/AZO has higher figure of merit than ITO for specific Au thicknesses. • The resistance of AZO/Au/AZO is stable against repetitive substrate bending. • AZO/Au/AZO electrode performance is comparable to ITO in light emitting diodes. - Abstract: We investigate the structural, electrical and optical properties of transparent electrodes, consisting of Al-doped ZnO (AZO) and ultrathin Au layers, sputtered on polyethylene terephthalate (PET). These electrodes are relevant for optoelectronic devices and thin film photovoltaics. When deposited on AZO, Au films as thin as 3 nm form electrically conductive, meandering structures, whereas uniform Au films are obtained from a thickness of 5 nm. The sheet resistance decreases with Au thickness, reaching 7 Ω for 11 nm-thick Au. AZO/Au/AZO trilayers combine lowest resistance with highest transparency, while their resistance stability against bending fatigue is superior to the Sn-doped In{sub 2}O{sub 3} (ITO) electrode. The figure of merit of AZO/Au/AZO is larger than of ITO for Au thickness equal to or larger than 9 nm. To demonstrate the applicability of the AZO/Au/AZO transparent electrode, simple organic light emitting diodes were fabricated and tested in comparison to PET/ITO standard substrates.

  3. Electrical properties of Au/perylene-monoimide/p-Si Schottky diode

    International Nuclear Information System (INIS)

    Yüksel, Ö.F.; Tuğluoğlu, N.; Gülveren, B.; Şafak, H.; Kuş, M.

    2013-01-01

    Graphical abstract: In this work, we have fabricated an Au/perylene-monoimide (PMI)/p-Si Schottky barrier diode. An emphasis is placed on how electrical and interface characteristics like current–voltage (I–V) variation, ideality factor (n), barrier height (Φ B ) and series resistance (R s ) of Au/PMI/p-Si diode structure change with the temperatures between 100 and 300 K. The temperature dependence of barrier height shows that the Schottky barrier height is inhomogeneous in nature at the interface. Such inhomogeneous behavior was explained on the basis of thermionic emission mechanism by assuming the existence of a Gaussian distribution of barrier heights. -- Highlights: •An Au/perylene-monoimide (PMI)/p-Si Schottky diode having an organic interlayer has been fabricated. •I–V characteristics have been investigated over a wide temperature range 100–300 K. •C–V measurements have been analyzed at room temperature. -- Abstract: In this work, we have fabricated an Au/perylene-monoimide (PMI)/p-Si Schottky barrier diode. We have investigated how electrical and interface characteristics like current–voltage characteristics (I–V), ideality factor (n), barrier height (Φ B ) and series resistance (R s ) of diode change with temperature over a wide range of 100–300 K. Detailed analysis on the electrical properties of structure is performed by assuming the standard thermionic emission (TE) model. Possible mechanisms such as image force lowering, generation–recombination processes and interface states which cause deviations of n values from the unity have been discussed. Cheung–Cheung method is also employed to analysis the current–voltage characteristics and a good agreement is observed between the results. It is shown that the electronic properties of Schottky diode are very sensitive to the modification of perylene-monoimide (PMI) interlayer organic material and also to the temperature. The ideality factor was found to decrease and the barrier

  4. Microstructural evolution of Au/TiO{sub 2} nanocomposite films: The influence of Au concentration and thermal annealing

    Energy Technology Data Exchange (ETDEWEB)

    Borges, J., E-mail: joelborges@fisica.uminho.pt [Instituto Pedro Nunes, Laboratório de Ensaios, Desgaste e Materiais, Rua Pedro Nunes, 3030-199 Coimbra (Portugal); SEG-CEMUC, Mechanical Engineering Department, University of Coimbra, 3030-788 Coimbra (Portugal); Centro/Departamento de Física, Universidade do Minho, Campus de Gualtar, 4710-057 Braga (Portugal); Kubart, T.; Kumar, S.; Leifer, K. [Solid-State Electronics, Department of Engineering Sciences, Uppsala University, P.O. Box 534, Uppsala SE-751 21 (Sweden); Rodrigues, M.S. [Instituto Pedro Nunes, Laboratório de Ensaios, Desgaste e Materiais, Rua Pedro Nunes, 3030-199 Coimbra (Portugal); Centro/Departamento de Física, Universidade do Minho, Campus de Gualtar, 4710-057 Braga (Portugal); Duarte, N.; Martins, B.; Dias, J.P. [Instituto Pedro Nunes, Laboratório de Ensaios, Desgaste e Materiais, Rua Pedro Nunes, 3030-199 Coimbra (Portugal); Cavaleiro, A. [SEG-CEMUC, Mechanical Engineering Department, University of Coimbra, 3030-788 Coimbra (Portugal); Vaz, F. [SEG-CEMUC, Mechanical Engineering Department, University of Coimbra, 3030-788 Coimbra (Portugal); Centro/Departamento de Física, Universidade do Minho, Campus de Gualtar, 4710-057 Braga (Portugal)

    2015-04-01

    Nanocomposite thin films consisting of a dielectric matrix, such as titanium oxide (TiO{sub 2}), with embedded gold (Au) nanoparticles were prepared and will be analysed and discussed in detail in the present work. The evolution of morphological and structural features was studied for a wide range of Au concentrations and for annealing treatments in air, for temperatures ranging from 200 to 800 °C. Major findings revealed that for low Au atomic concentrations (at.%), there are only traces of clustering, and just for relatively high annealing temperatures, T ≥ 500 °C. Furthermore, the number of Au nanoparticles is extremely low, even for the highest annealing temperature, T = 800 °C. It is noteworthy that the TiO{sub 2} matrix also crystallizes in the anatase phase for annealing temperatures above 300 °C. For intermediate Au contents (5 at.% ≤ C{sub Au} ≤ 15 at.%), the formation of gold nanoclusters was much more evident, beginning at lower annealing temperatures (T ≥ 200 °C) with sizes ranging from 2 to 25 nm as the temperature increased. A change in the matrix crystallization from anatase to rutile was also observed in this intermediate range of compositions. For the highest Au concentrations (> 20 at.%), the films tended to form relatively larger clusters, with sizes above 20 nm (for T ≥ 400 °C). It is demonstrated that the structural and morphological characteristics of the films are strongly affected by the annealing temperature, as well as by the particular amounts, size and distribution of the Au nanoparticles dispersed in the TiO{sub 2} matrix. - Highlights: • Au:TiO{sub 2} films were produced by magnetron sputtering and post-deposition annealing. • The Au concentration in the films increases with the Au pellet area. • Annealing induced microstructural changes in the films. • The nanoparticle size evolution with temperature depends on the Au concentration.

  5. Localized surface plasmon resonance properties of symmetry-broken Au-ITO-Ag multilayered nanoshells

    Science.gov (United States)

    Lv, Jingwei; Mu, Haiwei; Lu, Xili; Liu, Qiang; Liu, Chao; Sun, Tao; Chu, Paul K.

    2018-06-01

    The plasmonic properties of symmetry-broken Au-ITO-Ag multilayered nanoshells by shell cutting are studied by the finite element method. The influence of the polarization of incident light and geometrical parameters on the plasmon resonances of the multilayered nanoshells are investigated. The polarization-dependent multiple plasmon resonances appear from the multilayered nanoshells due to symmetry breaking. In nanostructures with a broken symmetry, the localized surface plasmon resonance modes are enhanced resulting in higher order resonances. According to the plasmon hybridization theory, these resonance modes and greater spectral tunability derive from the interactions of an admixture of both primitive and multipolar modes between the inner Au core and outer Ag shell. By changing the radius of the Au core, the extinction resonance modes of the multilayered nanoshells can be easily tuned to the near-infrared region. To elucidate the symmetry-broken effects of multilayered nanoshells, we link the geometrical asymmetry to the asymmetrical distributions of surface charges and demonstrate dipolar and higher order plasmon modes with large associated field enhancements at the edge of the Ag rim. The spectral tunability of the multiple resonance modes from visible to near-infrared is investigated and the unique properties are attractive to applications including angularly selective filtering to biosensing.

  6. Fabrication and photoelectrochemical properties of ZnS/Au/TiO2 nanotube array films.

    Science.gov (United States)

    Zhu, Yan-Feng; Zhang, Juan; Xu, Lu; Guo, Ya; Wang, Xiao-Ping; Du, Rong-Gui; Lin, Chang-Jian

    2013-03-21

    A highly ordered TiO(2) nanotube array film was fabricated by an anodic oxidation method. The film was modified by Au nanoparticles (NPs) formed by a deposition-precipitation technique and was covered with a thin ZnS shell prepared by a successive ionic layer adsorption and reaction (SILAR) method. The photoelectrochemical properties of the prepared ZnS/Au/TiO(2) composite film were evaluated by incident photon-to-current conversion efficiency (IPCE), and photopotential and electrochemical impedance spectroscopy (EIS) measurements under white light illumination. The results indicated that the Au NPs could expand the light sensitivity range of the film and suppress the electron-hole recombination, and the ZnS shell could inhibit the leakage of photogenerated electrons from the surface of Au NPs to the ZnS/electrolyte interface. When the 403 stainless steel in a 0.5 M NaCl solution was coupled to the ZnS/Au/TiO(2) nanotube film photoanode under illumination, its potential decreased by 400 mV, showing that the composite film had a better photocathodic protection effect on the steel than that of a pure TiO(2) nanotube film.

  7. CLUSTER DYNAMICS LARGELY SHAPES PROTOPLANETARY DISK SIZES

    Energy Technology Data Exchange (ETDEWEB)

    Vincke, Kirsten; Pfalzner, Susanne, E-mail: kvincke@mpifr-bonn.mpg.de [Max Planck Institute for Radio Astronomy, Auf dem Hügel 69, D-53121 Bonn (Germany)

    2016-09-01

    To what degree the cluster environment influences the sizes of protoplanetary disks surrounding young stars is still an open question. This is particularly true for the short-lived clusters typical for the solar neighborhood, in which the stellar density and therefore the influence of the cluster environment change considerably over the first 10 Myr. In previous studies, the effect of the gas on the cluster dynamics has often been neglected; this is remedied here. Using the code NBody6++, we study the stellar dynamics in different developmental phases—embedded, expulsion, and expansion—including the gas, and quantify the effect of fly-bys on the disk size. We concentrate on massive clusters (M {sub cl} ≥ 10{sup 3}–6 ∗ 10{sup 4} M {sub Sun}), which are representative for clusters like the Orion Nebula Cluster (ONC) or NGC 6611. We find that not only the stellar density but also the duration of the embedded phase matters. The densest clusters react fastest to the gas expulsion and drop quickly in density, here 98% of relevant encounters happen before gas expulsion. By contrast, disks in sparser clusters are initially less affected, but because these clusters expand more slowly, 13% of disks are truncated after gas expulsion. For ONC-like clusters, we find that disks larger than 500 au are usually affected by the environment, which corresponds to the observation that 200 au-sized disks are common. For NGC 6611-like clusters, disk sizes are cut-down on average to roughly 100 au. A testable hypothesis would be that the disks in the center of NGC 6611 should be on average ≈20 au and therefore considerably smaller than those in the ONC.

  8. Observation of Au + AuAu + Au + ρ0 and Au + AuAu* + Au* + ρ0 with STAR

    International Nuclear Information System (INIS)

    Spencer, K.

    2002-01-01

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

  9. Synthetic properties of models of globular clusters

    Energy Technology Data Exchange (ETDEWEB)

    Angeletti, L; Dolcetta, R; Giannone, P. (Rome Univ. (Italy). Osservatorio Astronomico)

    1980-05-01

    Synthetic and projected properties of models of globular clusters have been computed on the basis of stellar evolution and time changes of the dynamical cluster structure. Clusters with five and eight stellar groups (each group consisting of stars with the same mass) were studied. Mass loss from evolved stars was taken into account. Observational features were obtained at ages of 10-19 x 10/sup 9/ yr. The basic importance of the horizontal- and asymptotic-branch stars was pointed out. A comparison of the results with observed data of M3 is discussed with the purpose of obtaining general indications rather than a specific fit.

  10. Synthetic properties of models of globular clusters

    International Nuclear Information System (INIS)

    Angeletti, L.; Dolcetta, R.; Giannone, P.

    1980-01-01

    Synthetic and projected properties of models of globular clusters have been computed on the basis of stellar evolution and time changes of the dynamical cluster structure. Clusters with five and eight stellar groups (each group consisting of stars with the same mass) were studied. Mass loss from evolved stars was taken into account. Observational features were obtained at ages of 10-19 x 10 9 yr. The basic importance of the horizontal- and asymptotic-branch stars was pointed out. A comparison of the results with observed data of M3 is discussed with the purpose of obtaining general indications rather than a specific fit. (orig.)

  11. Chemical and electrical characteristics of annealed Ni/Au and Ni/Ir/Au contacts on AlGaN

    Energy Technology Data Exchange (ETDEWEB)

    Ngoepe, P.N.M., E-mail: phuti.ngoepe@up.ac.za [Department of Physics, University of Pretoria, Private Bag X20, Hatfield 0028 (South Africa); Meyer, W.E.; Auret, F.D.; Omotoso, E.; Diale, M. [Department of Physics, University of Pretoria, Private Bag X20, Hatfield 0028 (South Africa); Swart, H.C.; Duvenhage, M.M.; Coetsee, E. [Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein 9300 (South Africa)

    2016-01-01

    The evolution of Ni/Au and Ni/Ir/Au metal contacts deposited on AlGaN was investigated at different annealing temperatures. The samples were studied with electrical and chemical composition techniques. I–V characteristics of the Schottky diodes were optimum after 500 and 600 °C annealing for Ni/Au and Ni/Ir/Au based diodes, respectively. The depth profiles of the contacts were measured by x-ray photoelectron spectroscopy and time of flight secondary ion mass spectroscopy. These chemical composition techniques were used to examine the evolution of the metal contacts in order to verify the influence the metals have on the electrical properties of the diodes. The insertion of Ir as a diffusion barrier between Ni and Au effected the electrical properties, improving the stability of the contacts at high temperatures. Gold diffused into the AlGaN film, degrading the electrical properties of the Ni/Au diode. At 500 °C, the insertion of Ir, however, prevented the in-diffusion of Au into the AlGaN substrate.

  12. The optical properties of galaxies in the Ophiuchus cluster

    Science.gov (United States)

    Durret, F.; Wakamatsu, K.; Adami, C.; Nagayama, T.; Omega Muleka Mwewa Mwaba, J. M.

    2018-05-01

    Context. Ophiuchus is one of the most massive clusters known, but due to its low Galactic latitude its optical properties remain poorly known. Aims: We investigate the optical properties of Ophiuchus to obtain clues on the formation epoch of this cluster, and compare them to those of the Coma cluster, which is comparable in mass to Ophiuchus but much more dynamically disturbed. Methods: Based on a deep image of the Ophiuchus cluster in the r' band obtained at the Canada France Hawaii Telescope with the MegaCam camera, we have applied an iterative process to subtract the contribution of the numerous stars that, due to the low Galactic latitude of the cluster, pollute the image, and have obtained a photometric catalogue of 2818 galaxies fully complete at r' = 20.5 mag and still 91% complete at r' = 21.5 mag. We use this catalogue to derive the cluster Galaxy Luminosity Function (GLF) for the overall image and for a region (hereafter the "rectangle" region) covering exactly the same physical size as the region in which the GLF of the Coma cluster was previously studied. We then compute density maps based on an adaptive kernel technique, for different magnitude limits, and define three circular regions covering 0.08, 0.08, and 0.06 deg2, respectively, centred on the cluster (C), on northwest (NW) of the cluster, and southeast (SE) of the cluster, in which we compute the GLFs. Results: The GLF fits are much better when a Gaussian is added to the usual Schechter function, to account for the excess of very bright galaxies. Compared to Coma, Ophiuchus shows a strong excess of bright galaxies. Conclusions: The properties of the two nearby very massive clusters Ophiuchus and Coma are quite comparable, though they seem embedded in different large-scale environments. Our interpretation is that Ophiuchus was built up long ago, as confirmed by its relaxed state (see paper I) while Coma is still in the process of forming. The photometric catalogue of Ophiuchus (full Table B.1) is

  13. Structure and Stability of GeAun, n = 1-10 clusters: A Density Functional Study

    International Nuclear Information System (INIS)

    Priyanka,; Dharamvir, Keya; Sharma, Hitesh

    2011-01-01

    The structures of Germanium doped gold clusters GeAu n (n = 1-10) have been investigated using ab initio calculations based on density functional theory (DFT). We have obtained ground state geometries of GeAu n clusters and have it compared with Silicon doped gold clusters and pure gold clusters. The ground state geometries of the GeAu n clusters show patterns similar to silicon doped gold clusters except for n = 5, 6 and 9. The introduction of germanium atom increases the binding energy of gold clusters. The binding energy per atom of germanium doped cluster is smaller than the corresponding silicon doped gold cluster. The HUMO-LOMO gap for Au n Ge clusters have been found to vary between 0.46 eV-2.09 eV. The mullikan charge analysis indicates that charge of order of 0.1e always transfers from germanium atom to gold atom.

  14. Properties of the disk system of globular clusters

    International Nuclear Information System (INIS)

    Armandroff, T.E.

    1989-01-01

    A large refined data sample is used to study the properties and origin of the disk system of globular clusters. A scale height for the disk cluster system of 800-1500 pc is found which is consistent with scale-height determinations for samples of field stars identified with the Galactic thick disk. A rotational velocity of 193 + or - 29 km/s and a line-of-sight velocity dispersion of 59 + or - 14 km/s have been found for the metal-rich clusters. 70 references

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

    Science.gov (United States)

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

    2018-03-01

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

  16. First-principles theory of short-range order in size-mismatched metal alloys: Cu-Au, Cu-Ag, and Ni-Au

    International Nuclear Information System (INIS)

    Wolverton, C.; Ozolins, V.; Zunger, A.

    1998-01-01

    We describe a first-principles technique for calculating the short-range order (SRO) in disordered alloys, even in the presence of large anharmonic atomic relaxations. The technique is applied to several alloys possessing large size mismatch: Cu-Au, Cu-Ag, Ni-Au, and Cu-Pd. We find the following: (i) The calculated SRO in Cu-Au alloys peaks at (or near) the left-angle 100 right-angle point for all compositions studied, in agreement with diffuse scattering measurements. (ii) A fourfold splitting of the X-point SRO exists in both Cu 0.75 Au 0.25 and Cu 0.70 Pd 0.30 , although qualitative differences in the calculated energetics for these two alloys demonstrate that the splitting in Cu 0.70 Pd 0.30 may be accounted for by T=0 K energetics while T≠0 K configurational entropy is necessary to account for the splitting in Cu 0.75 Au 0.25 . Cu 0.75 Au 0.25 shows a significant temperature dependence of the splitting, in agreement with recent in situ measurements, while the splitting in Cu 0.70 Pd 0.30 is predicted to have a much smaller temperature dependence. (iii) Although no measurements exist, the SRO of Cu-Ag alloys is predicted to be of clustering type with peaks at the left-angle 000 right-angle point. Streaking of the SRO peaks in the left-angle 100 right-angle and left-angle 1 (1) /(2) 0 right-angle directions for Ag- and Cu-rich compositions, respectively, is correlated with the elastically soft directions for these compositions. (iv) Even though Ni-Au phase separates at low temperatures, the calculated SRO pattern in Ni 0.4 Au 0.6 , like the measured data, shows a peak along the left-angle ζ00 right-angle direction, away from the typical clustering-type left-angle 000 right-angle point. (v) The explicit effect of atomic relaxation on SRO is investigated and it is found that atomic relaxation can produce significant qualitative changes in the SRO pattern, changing the pattern from ordering to clustering type, as in the case of Cu-Ag. copyright 1998 The American

  17. Electromagnetic properties of 6Li in a cluster model with breathing clusters

    International Nuclear Information System (INIS)

    Kruppa, A.T.; Beck, R.; Dickmann, F.

    1987-01-01

    Electromagnetic properties of 6 Li are studied using a microscopic (α+δ) cluster model. In addition to the ground state of the clusters, their breathing excited states are included in the wave function in order to take into account the distortion of the clusters. The elastic charge form factor is in good agreement with experiment up to a momentum transfer of 8 fm -2 . The ground state magnetic form factor and the inelastic charge form factor are also well described. The effect of the breathing states of α on the form factors proves to be negligible except at high momentum transfer. The ground-state charge density, rms charge radius, the magnetic dipole moment and a reduced transition strength are also obtained in fair agreement with experiment. (author)

  18. Ordered arrays of Au catalysts by FIB assisted heterogeneous dewetting.

    Science.gov (United States)

    Benkouider, A; Ronda, A; David, T; Favre, L; Abbarchi, M; Naffouti, M; Osmond, J; Delobbe, A; Sudraud, P; Berbezier, I

    2015-12-18

    Synthesizing Au0.8Si0.2 nanocatalysts that are homogeneous in size and have controlled position is becoming a challenging and crucial prequisite for the fabrication of ordered semiconductor nanowires. In this study, Au0.8Si0.2 nanocatalysts are synthesized via dewetting of Au layers on Si(111) during thermal annealing in an ultra-high vacuum. In the first part of the paper, the mechanism of homogeneous dewetting is analyzed as a function of the Au-deposited thickness (h Au). We distinguish three different dewetting regimes: (I) for a low thickness ([Formula: see text]), a submonolyer coverage of Au is stabilized and there is no dewetting. (II) For an intermediate thickness ([Formula: see text]), there is both dewetting and Au0.8Si0.2 phase formation. The size and density of the Au0.8Si0.2 clusters are directly related to h Au. When cooling down to room temperature, the clusters decompose and reject the Si at the Au/Si substrate interface. (III) For a large thickness ([Formula: see text]), only dewetting takes place, without forming AuSi clusters. In this regime, the dewetting is kinetically controlled by the self-diffusion of Au (activation energy ∼0.43 eV) without evidence of an Si-alloying effect. As a practical consequence, when relying solely on the homogeneous dewetting of Au/Si(111) to form the Au0.8Si0.2 catalysts (without a supply of Si atoms from vapor), regime II should be used to obtain good size and density control. In the second part of the paper, a process for ordering the catalysts using focused ion beam-(FIB) assisted dewetting (heterogeneous dewetting) is developed. We show that no matter what the FIB milling conditions and the Au nominal thickness are, dewetting is promoted by ion beam irradiation and is accompanied by the formation of Au0.8Si0.2 droplets. The droplets preferentially form on the patterned areas, while in similar annealing conditions, they do not form on the unpatterned areas. This behavior is attributed to the larger Au

  19. Structural and optical properties of Si-doped Ag clusters

    KAUST Repository

    Mokkath, Junais Habeeb

    2014-03-06

    The structural and optical properties of AgN and Ag N-1Si1 (neutral, cationic, and anionic) clusters (N = 5 to 12) are systematically investigated using the density functional based tight binding method and time-dependent density functional theory, providing insight into recent experiments. The gap between the highest occupied and lowest unoccupied molecular orbitals and therefore the optical spectrum vary significantly under Si doping, which enables flexible tuning of the chemical and optical properties of Ag clusters. © 2014 American Chemical Society.

  20. Structural and optical properties of Si-doped Ag clusters

    KAUST Repository

    Mokkath, Junais Habeeb; Schwingenschlö gl, Udo

    2014-01-01

    The structural and optical properties of AgN and Ag N-1Si1 (neutral, cationic, and anionic) clusters (N = 5 to 12) are systematically investigated using the density functional based tight binding method and time-dependent density functional theory, providing insight into recent experiments. The gap between the highest occupied and lowest unoccupied molecular orbitals and therefore the optical spectrum vary significantly under Si doping, which enables flexible tuning of the chemical and optical properties of Ag clusters. © 2014 American Chemical Society.

  1. Effect of interfaces on electron transport properties of MoS2-Au Contacts

    Science.gov (United States)

    Aminpour, Maral; Hapala, Prokop; Le, Duy; Jelinek, Pavel; Rahman, Talat S.; Rahman's Group Collaboration; Nanosurf Lab Collaboration

    2014-03-01

    Single layer MoS2 is a promising material for future electronic devices such as transistors since it has good transport characteristics with mobility greater than 200 cm-1V-1s-1 and on-off current ratios up to 108. However, before MoS2 can become a mainstream electronic material for the semiconductor industry, the design of low resistive metal-semiconductor junctions as contacts of the electronic devices needs to be addressed and studied systematically. We have examined the effect of Au contacts on the electronic transport properties of single layer MoS2 using density functional theory in combination with the non-equilibrium Green's function method. The Schottky barrier between Au contact and MoS2, transmission spectra, and I-V curves will be reported and discussed as a function of MoS2 and Au interfaces of varying geometry. This work is supported in part by the US Department of Energy under grant DE-FG02-07ER15842.

  2. Binary cluster collision dynamics and minimum energy conformations

    Energy Technology Data Exchange (ETDEWEB)

    Muñoz, Francisco [Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle (Germany); Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago (Chile); Centro para el Desarrollo de la Nanociencia y Nanotecnología, CEDENNA, Avenida Ecuador 3493, Santiago (Chile); Rogan, José; Valdivia, J.A. [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago (Chile); Centro para el Desarrollo de la Nanociencia y Nanotecnología, CEDENNA, Avenida Ecuador 3493, Santiago (Chile); Varas, A. [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago (Chile); Nano-Bio Spectroscopy Group, ETSF Scientific Development Centre, Departamento de Física de Materiales, Universidad del País Vasco UPV/EHU, Av. Tolosa 72, E-20018 San Sebastián (Spain); Kiwi, Miguel, E-mail: m.kiwi.t@gmail.com [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago (Chile); Centro para el Desarrollo de la Nanociencia y Nanotecnología, CEDENNA, Avenida Ecuador 3493, Santiago (Chile)

    2013-10-15

    The collision dynamics of one Ag or Cu atom impinging on a Au{sub 12} cluster is investigated by means of DFT molecular dynamics. Our results show that the experimentally confirmed 2D to 3D transition of Au{sub 12}→Au{sub 13} is mostly preserved by the resulting planar Au{sub 12}Ag and Au{sub 12}Cu minimum energy clusters, which is quite remarkable in view of the excess energy, well larger than the 2D–3D potential barrier height. The process is accompanied by a large s−d hybridization and charge transfer from Au to Ag or Cu. The dynamics of the collision process mainly yields fusion of projectile and target, however scattering and cluster fragmentation also occur for large energies and large impact parameters. While Ag projectiles favor fragmentation, Cu favors scattering due to its smaller mass. The projectile size does not play a major role in favoring the fragmentation or scattering channels. By comparing our collision results with those obtained by an unbiased minimum energy search of 4483 Au{sub 12}Ag and 4483 Au{sub 12}Cu configurations obtained phenomenologically, we find that there is an extra bonus: without increase of computer time collisions yield the planar lower energy structures that are not feasible to obtain using semi-classical potentials. In fact, we conclude that phenomenological potentials do not even provide adequate seeds for the search of global energy minima for planar structures. Since the fabrication of nanoclusters is mainly achieved by synthesis or laser ablation, the set of local minima configurations we provide here, and their distribution as a function of energy, are more relevant than the global minimum to analyze experimental results obtained at finite temperatures, and is consistent with the dynamical coexistence of 2D and 3D liquid Au clusters conformations obtained previously.

  3. Complexes of DNA bases and Watson-Crick base pairs with small neutral gold clusters.

    Science.gov (United States)

    Kryachko, E S; Remacle, F

    2005-12-08

    The nature of the DNA-gold interaction determines and differentiates the affinity of the nucleobases (adenine, thymine, guanine, and cytosine) to gold. Our preliminary computational study [Kryachko, E. S.; Remacle, F. Nano Lett. 2005, 5, 735] demonstrates that two major bonding factors govern this interaction: the anchoring, either of the Au-N or Au-O type, and the nonconventional N-H...Au hydrogen bonding. In this paper, we offer insight into the nature of nucleobase-gold interactions and provide a detailed characterization of their different facets, i.e., geometrical, energetic, and spectroscopic aspects; the gold cluster size and gold coordination effects; proton affinity; and deprotonation energy. We then investigate how the Watson-Crick DNA pairing patterns are modulated by the nucleobase-gold interaction. We do so in terms of the proton affinities and deprotonation energies of those proton acceptors and proton donors which are involved in the interbase hydrogen bondings. A variety of properties of the most stable Watson-Crick [A x T]-Au3 and [G x C]-Au3 hybridized complexes are described and compared with the isolated Watson-Crick A x T and G x C ones. It is shown that enlarging the gold cluster size to Au6 results in a rather short gold-gold bond in the Watson-Crick interbase region of the [G x C]-Au6 complex that bridges the G x C pair and thus leads to a significant strengthening of G x C pairing.

  4. Photoproduced fluorescent Au(I)@(Ag2/Ag3)-thiolate giant cluster: an intriguing sensing platform for DMSO and Pb(II).

    Science.gov (United States)

    Ganguly, Mainak; Mondal, Chanchal; Jana, Jayasmita; Pal, Anjali; Pal, Tarasankar

    2014-01-14

    Synergistic evolution of fluorescent Au(I)@(Ag2/Ag3)-thiolate core-shell particles has been made possible under the Sun in presence of the respective precursor coinage metal compounds and glutathione (GSH). The green chemically synthesized fluorescent clusters are giant (∼600 nm) in size and robust. Among all the common water miscible solvents, exclusively DMSO exhibits selective fluorescence quenching (Turn Off) because of the removal of GSH from the giant cluster. Again, only Pb(II) ion brings back the lost fluorescence (Turn On) leaving aside all other metal ions. This happens owing to the strong affinity of the sulfur donor of DMSO for Pb(II). Thus, employing the aqueous solution containing the giant cluster, we can detect DMSO contamination in water bodies at trace level. Besides, a selective sensing platform has emerged out for Pb(II) ion with a detection limit of 14 × 10(-8) M. Pb(II) induced fluorescence recovery is again vanished by I(-) implying a promising route to sense I(-) ion.

  5. Theoretical investigation of electronic and magnetic properties of MnAu layers

    Energy Technology Data Exchange (ETDEWEB)

    Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, BP 63, 46000, Sidi Bouzid, Safi (Morocco); LMPHE (URAC 12), Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco); Hlil, E.K. [Institut Neel, CNRS et Universite Joseph Fourier, BP 166, F-38042 Grenoble cedex 9 (France); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Benyoussef, A. [LMPHE (URAC 12), Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Mounkachi, O. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Bahmad, L. [LMPHE (URAC 12), Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco)

    2013-01-15

    Self-consistent ab initio calculations, based on the density functional theory (DFT) approach and using the full potential linear augmented plane wave (FLAPW) method, are performed to investigate both electronic and magnetic properties of the MnAu layers. Polarized spin and spin-orbit coupling are included in calculations within the framework of the antiferromagnetic state between two adjacent Mn layers. Magnetic moment considered to lie along a axes are computed. The data obtained from the ab initio calculations are then used as input for the high temperature series expansions (HTSEs) calculation to compute other magnetic parameters. The exchange integrals between the magnetic atoms in the same layer and between the magnetic atoms in the bilayers adjacent are given by using mean field theory. The HTSEs of the magnetic susceptibility of MnAu antiferromagnetic spin-S through two model: Ising and XY layers consisting of l=2, 3, 4, 5, 6 and bulk ({infinity}) interacting layers, are studied to sixth order series in {beta}=1/k{sub B}T obtained for free-surface boundary conditions. The effects of finite size on critical-point behavior are studied by extrapolation of the high-temperature series. The Neel temperature T{sub N}(l) as a function of the number of l spin layers is obtained by HTSEs of the magnetic susceptibility series by using the Pade approximant method and by MFT theory. The critical exponent {gamma} associated with the magnetic susceptibility is deduced. T{sub N}(l) for the l-layers are estimated from the divergence of the staggered susceptibility with an exponent for Ising model of {gamma}(1)=2.96, and for XY model of {gamma}(2)=2.82, which is consistent with the basic assumptions of scaling laws. Our estimates for the shift exponent of the Neel temperature for the two models are obtained. - Highlights: Black-Right-Pointing-Pointer ab initio calculations is using to investigate both electronic and magnetic properties of the MnAu layers. Black

  6. Theoretical investigation of electronic and magnetic properties of MnAu layers

    International Nuclear Information System (INIS)

    Masrour, R.; Hlil, E.K.; Hamedoun, M.; Benyoussef, A.; Mounkachi, O.; Bahmad, L.

    2013-01-01

    Self-consistent ab initio calculations, based on the density functional theory (DFT) approach and using the full potential linear augmented plane wave (FLAPW) method, are performed to investigate both electronic and magnetic properties of the MnAu layers. Polarized spin and spin–orbit coupling are included in calculations within the framework of the antiferromagnetic state between two adjacent Mn layers. Magnetic moment considered to lie along a axes are computed. The data obtained from the ab initio calculations are then used as input for the high temperature series expansions (HTSEs) calculation to compute other magnetic parameters. The exchange integrals between the magnetic atoms in the same layer and between the magnetic atoms in the bilayers adjacent are given by using mean field theory. The HTSEs of the magnetic susceptibility of MnAu antiferromagnetic spin-S through two model: Ising and XY layers consisting of l=2, 3, 4, 5, 6 and bulk (∞) interacting layers, are studied to sixth order series in β=1/k B T obtained for free-surface boundary conditions. The effects of finite size on critical-point behavior are studied by extrapolation of the high-temperature series. The Néel temperature T N (l) as a function of the number of l spin layers is obtained by HTSEs of the magnetic susceptibility series by using the Padé approximant method and by MFT theory. The critical exponent γ associated with the magnetic susceptibility is deduced. T N (l) for the l-layers are estimated from the divergence of the staggered susceptibility with an exponent for Ising model of γ(1)=2.96, and for XY model of γ(2)=2.82, which is consistent with the basic assumptions of scaling laws. Our estimates for the shift exponent of the Néel temperature for the two models are obtained. - Highlights: ► ab initio calculations is using to investigate both electronic and magnetic properties of the MnAu layers. ► Obtained data from ab initio calculations are used as input for the HTSEs

  7. Tuning the magnetic properties of deposited transition metal clusters by decoration

    Energy Technology Data Exchange (ETDEWEB)

    Minar, Jan; Bornemann, S.; Ebert, H. [Dept. Chemie, LMU, Butenandtstr. 5-13, 81377 Muenchen (Germany); Staunton, J.B. [Department of Physics, University of Warwick (United Kingdom); Rusponi, S.; Brunne, H. [EPF Lausanne (Switzerland)

    2008-07-01

    Using the fully relativistic version of the KKR-method for electronic structure calculations within local spin density functional theory (LSDA) the magnetic properties of Fe, Co and Ni clusters deposited on the Pt(111) surface have been investigated. Of central interest are the role of spin-orbit coupling as it influences the spontaneous formation and orientation of magnetic moments and gives rise amongst others to the occurrence of orbital magnetic moments, the magnetic anisotropy energy (MAE) and magnetic circular dichroism in X-ray absorption (XMCD). Our systematic investigations of different clusters and nanostructures aim to reveal the mutual relationship among their spin-orbit induced properties. In addition they show how their various magnetic properties depend on the structural properties and chemical composition of the studied system. For large two-dimensional clusters we focussed especially on the dependency of the MAE on decoration with another transition metal. Our results are in qualitative agreement with recent experimental findings. We resolved the MAE contributions for inequivalent cluster atoms and will discuss the effect of the induced MAE within the Pt substrate.

  8. Structures of 38-atom gold-platinum nanoalloy clusters

    Energy Technology Data Exchange (ETDEWEB)

    Ong, Yee Pin; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technology, Multimedia University, Melaka Campus, 75450 Melaka (Malaysia)

    2015-04-24

    Bimetallic nanoclusters, such as gold-platinum nanoclusters, are nanomaterials promising wide range of applications. We perform a numerical study of 38-atom gold-platinum nanoalloy clusters, Au{sub n}Pt{sub 38−n} (0 ≤ n ≤ 38), to elucidate the geometrical structures of these clusters. The lowest-energy structures of these bimetallic nanoclusters at the semi-empirical level are obtained via a global-minimum search algorithm known as parallel tempering multi-canonical basin hopping plus genetic algorithm (PTMBHGA), in which empirical Gupta many-body potential is used to describe the inter-atomic interactions among the constituent atoms. The structures of gold-platinum nanoalloy clusters are predicted to be core-shell segregated nanoclusters. Gold atoms are observed to preferentially occupy the surface of the clusters, while platinum atoms tend to occupy the core due to the slightly smaller atomic radius of platinum as compared to gold’s. The evolution of the geometrical structure of 38-atom Au-Pt clusters displays striking similarity with that of 38-atom Au-Cu nanoalloy clusters as reported in the literature.

  9. Cluster-assembled overlayers and high-temperature superconductors

    International Nuclear Information System (INIS)

    Ohno, T.R.; Yang, Y.; Kroll, G.H.; Krause, K.; Schmidt, L.D.; Weaver, J.H.; Kimachi, Y.; Hidaka, Y.; Pan, S.H.; de Lozanne, A.L.

    1991-01-01

    X-ray photoemission results for interfaces prepared by cluster assembly with nanometer-size clusters deposited on high-T c superconductors (HTS's) show a reduction in reactivity because atom interactions with the surface are replaced by cluster interactions. Results for conventional atom deposition show the formation of overlayer oxides that are related to oxygen depletion and disruption of the near-surface region of the HTS's. For cluster assembly of Cr and Cu, there is a very thin reacted region on single-crystal Bi 2 Sr 2 CaCu 2 O 8 . Reduced reactivity is observed for Cr cluster deposition on single-crystal YBa 2 Cu 3 O 7 -based interfaces. There is no evidence of chemical modification of the surface for Ge and Au cluster assembly on Bi 2 Sr 2 CaCu 2 O 8 (100). The overlayer grown by Au cluster assembly on Bi 2 Sr 2 CaCu 2 O 8 covers the surface at low temperature but roughening occurs upon warming to 300 K. Scanning-tunneling-microscopy results for the Au(cluster)/Bi 2 Sr 2 CaCu 2 O 8 system warmed to 300 K shows individual clusters that have coalesced into large clusters. These results offer insight into the role of surface energies and cluster interactions in determining the overlayer morphology. Transmission-electron-microscopy results for Cu cluster assembly on silica show isolated irregularly shaped clusters that do not interact at low coverage. Sintering and labyrinth formation is observed at intermediate coverage and, ultimately, a continuous film is achieved at high coverage. Silica surface wetting by Cu clusters demonstrates that dispersive force are important for these small clusters

  10. Au@Ag core-shell nanocubes with finely tuned and well-controlled sizes, shell thicknesses, and optical properties.

    Science.gov (United States)

    Ma, Yanyun; Li, Weiyang; Cho, Eun Chul; Li, Zhiyuan; Yu, Taekyung; Zeng, Jie; Xie, Zhaoxiong; Xia, Younan

    2010-11-23

    This paper describes a facile method for generating Au@Ag core-shell nanocubes with edge lengths controllable in the range of 13.4-50 nm. The synthesis involved the use of single-crystal, spherical Au nanocrystals of 11 nm in size as the seeds in an aqueous system, with ascorbic acid serving as the reductant and cetyltrimethylammonium chloride (CTAC) as the capping agent. The thickness of the Ag shells could be finely tuned from 1.2 to 20 nm by varying the ratio of AgNO(3) precursor to Au seeds. We also investigated the growth mechanism by examining the effects of seeds (capped by CTAC or cetyltrimethylammonium bromide(CTAB)) and capping agent (CTAC vs CTAB) on both size and shape of the resultant core-shell nanocrystals. Our results clearly indicate that CTAC worked much better than CTAB as a capping agent in both the syntheses of Au seeds and Au@Ag core-shell nanocubes. We further studied the localized surface plasmon resonance properties of the Au@Ag nanocubes as a function of the Ag shell thickness. By comparing with the extinction spectra obtained from theoretical calculations, we derived a critical value of ca. 3 nm for the shell thickness at which the plasmon excitation of the Au cores would be completely screened by the Ag shells. Moreover, these Au@Ag core-shell nanocubes could be converted into Au-based hollow nanostructures containing the original Au seeds in the interiors through a galvanic replacement reaction.

  11. On Ni/Au Alloyed Contacts to Mg-Doped GaN

    Science.gov (United States)

    Sarkar, Biplab; Reddy, Pramod; Klump, Andrew; Kaess, Felix; Rounds, Robert; Kirste, Ronny; Mita, Seiji; Kohn, Erhard; Collazo, Ramon; Sitar, Zlatko

    2018-01-01

    Ni/Au contacts to p-GaN were studied as a function of free hole concentration in GaN using planar transmission line measurement structures. All contacts showed a nonlinear behavior, which became stronger for lower doping concentrations. Electrical and structural analysis indicated that the current conduction between the contact and the p-GaN was through localized nano-sized clusters. Thus, the non-linear contact behavior can be well explained using the alloyed contact model. Two contributions to the contact resistance were identified: the spreading resistance in the semiconductor developed by the current crowding around the electrically active clusters, and diode-type behavior at the interface of the electrically active clusters with the semiconductor. Hence, the equivalent Ni/Au contact model consists of a diode and a resistor in series for each active cluster. The reduced barrier height observed in the measurements is thought to be generated by the extraction of Ga from the crystalline surface and localized formation of the Au:Ga phase. The alloyed contact analyses presented in this work are in good agreement with some of the commonly observed behavior of similar contacts described in the literature.

  12. The properties of the disk system of globular clusters

    Science.gov (United States)

    Armandroff, Taft E.

    1989-01-01

    A large refined data sample is used to study the properties and origin of the disk system of globular clusters. A scale height for the disk cluster system of 800-1500 pc is found which is consistent with scale-height determinations for samples of field stars identified with the Galactic thick disk. A rotational velocity of 193 + or - 29 km/s and a line-of-sight velocity dispersion of 59 + or - 14 km/s have been found for the metal-rich clusters.

  13. Positronic probe of vacancy defects on surfaces of Au nanoparticles embedded in MgO

    International Nuclear Information System (INIS)

    Xu, Jun; Moxom, J.; Somieski, B.; White, C. W.; Mills, A. P.; Suzuki, R.; Ishibashi, S.

    2001-01-01

    Clusters of four atomic vacancies were found in Au nanoparticle-embedded MgO by positron lifetime spectroscopy [Phys. Rev. Lett. 83, 4586 (1999)]. These clusters were also suggested to locate at the surface of Au nanoparticles by one-detector measurements of Doppler broadening of annihilation radiation. In this work we provide evidence, using two-detector coincidence experiments of Doppler broadening (2D-DBAR), to clarify that these vacancy clusters reside on the surfaces of Au nanoparticles. This work also demonstrates a method for identifying defects at nanomaterials interfaces: a combination of both positron lifetime spectroscopy, which tells the type of the defects, and 2D-DBAR measurements, which reveals chemical environment of the defects

  14. Positronic probe of vacancy defects on surfaces of Au nanoparticles embedded in MgO

    Science.gov (United States)

    Xu, Jun; Moxom, J.; Somieski, B.; White, C. W.; Mills, A. P., Jr.; Suzuki, R.; Ishibashi, S.

    2001-09-01

    Clusters of four atomic vacancies were found in Au nanoparticle-embedded MgO by positron lifetime spectroscopy [Phys. Rev. Lett. 83, 4586 (1999)]. These clusters were also suggested to locate at the surface of Au nanoparticles by one-detector measurements of Doppler broadening of annihilation radiation. In this work we provide evidence, using two-detector coincidence experiments of Doppler broadening (2D-DBAR), to clarify that these vacancy clusters reside on the surfaces of Au nanoparticles. This work also demonstrates a method for identifying defects at nanomaterials interfaces: a combination of both positron lifetime spectroscopy, which tells the type of the defects, and 2D-DBAR measurements, which reveals chemical environment of the defects.

  15. The X-ray spectra of clusters of galaxies and their relationship to other cluster properties

    International Nuclear Information System (INIS)

    Mitchell, R.J.; Dickens, R.J.; Burnell, S.J.B.; Culhane, J.L.

    1979-01-01

    New observations with the MSSL proportional counter spectrometer on the Ariel V satellite of the X-ray spectra of 20 candidate clusters of galaxies are reported. The data are compared with the results from the OSO-8 satellite and the combined sample of some 30 cluster X-ray spectra are analysed. The present study finds generally larger values of Lsub(X) than do Uhuru or the SSI, which, because of the larger field of view, may indicate significant amounts of hot gas away from the cluster centres. The validity of all X-ray cluster identifications has been examined, and sources have been classified according to certainty of identification. The incidence of X-ray line emission from the clusters has been investigated and temperatures, kTsub(X), have been derived on the basis of an isothermal model. Relationships between X-ray, optical and radio properties of the clusters have been studied. The more massive, centrally condensed clusters generally contain higher temperature gas and have a greater luminosity than the less massive, more irregular clusters. (author)

  16. Quantum chemical study of the interaction of elemental Hg with small neutral, anionic and cationic Aun (n = 1–6) clusters

    International Nuclear Information System (INIS)

    Siddiqui, Shamoon Ahmad; Bouarissa, Nadir; Rasheed, Tabish; Al-Assiri, M.S.

    2013-01-01

    Graphical abstract: Binding energies as a function of cluster size for Au n Hg, Au n Hg + and Au n Hg − complexes. Highlights: ► Hg adsorption of neutral and charged Au n (n = 1–6) clusters has been discussed. ► Size and charged state of cluster significantly affect the Hg adsorption. ► Transfer of electron mainly found from s orbital of Hg to s orbital of Au. - Abstract: Adsorption of elemental mercury (Hg) on small neutral, cationic and anionic gold clusters (Au n , n = 1–6) has been studied by using the density functional theory (DFT). Results of this investigation show that frontier molecular orbital theory is a useful tool to predict the selectivity of Hg adsorption. It is found that adsorption of Hg on neutral, cationic and anionic Au n (n = 1–6) clusters are thermodynamically favorable. The binding energies of Hg on the cationic Au n clusters are greater than those on the neutral and anionic clusters. Natural bond orbital (NBO) analysis indicates that the flow of electrons in the neutral and charged clusters is mainly due to the s orbitals of Hg and Au. Results of NBO analysis also indicate that the binding energy of Hg with Au n clusters is directly proportional to the charge transfer, i.e. greater is the charge transfer, higher is the binding energy

  17. Physicochemical properties of different corn varieties by principal components analysis and cluster analysis

    International Nuclear Information System (INIS)

    Zeng, J.; Li, G.; Sun, J.

    2013-01-01

    Principal components analysis and cluster analysis were used to investigate the properties of different corn varieties. The chemical compositions and some properties of corn flour which processed by drying milling were determined. The results showed that the chemical compositions and physicochemical properties were significantly different among twenty six corn varieties. The quality of corn flour was concerned with five principal components from principal component analysis and the contribution rate of starch pasting properties was important, which could account for 48.90%. Twenty six corn varieties could be classified into four groups by cluster analysis. The consistency between principal components analysis and cluster analysis indicated that multivariate analyses were feasible in the study of corn variety properties. (author)

  18. Pd@Au core-shell nanocrystals with concave cubic shapes: kinetically controlled synthesis and electrocatalytic properties.

    Science.gov (United States)

    Zhang, Ling; Niu, Wenxin; Zhao, Jianming; Zhu, Shuyun; Yuan, Yali; Hua, Lianzhe; Xu, Guobao

    2013-01-01

    A new type of concave cubic Pd@Au core-shell nanocrystals is synthesized through a kinetically controlled growth process. Pd nanocubes of 56 nm are used as the inner core, and CTAC and Br(-) are used as the capping agent and selective adsorbent, respectively. A suitable ratio of HAuCl4 and cubic Pd seeds and the presence of Br(-) anions are critical to the growth of the concave cubic Pd@Au core-shell nanocrystals. The fast deposition rate on the corners of the cubic Pd seeds promotes the overgrowth of the Au outer shell along the direction, leading to the formation of concave cubic nanostructures. The reduction process is monitored by the surface plasmon resonance spectra of the nanocrystals, and the extinction band became broader and red shifted as the nanocrystals became larger. The electrocatalytic properties of the concave cubic Pd@Au core-shell nanocrystals were investigated with the cathodic electrochemiluminescence reaction of luminol and H2O2. A possible electrocatalytic mechanism was proposed and analyzed.

  19. Scanning probe microscopy investigation of gold clusters deposited on atomically flat substrates

    International Nuclear Information System (INIS)

    Vandamme, N; Janssens, E; Vanhoutte, F; Lievens, P; Haesendonck, C van

    2003-01-01

    We systematically studied the influence of the substrate on the shape, mobility, and stability of deposited gold clusters. The Au n clusters were produced in a laser vaporization source and deposited with low kinetic energy (∼0.4 eV/atom) on atomically flat substrates (graphite, mica, and gold and silver films on mica) under UHV conditions. Their size distribution is probed with time-of-flight mass spectrometry and ranges from dimers to several hundreds of atoms. Scanning probe microscopy is used to characterize the deposited clusters and the formation of islands by cluster aggregation. On all substrates, Au n islands can be clearly distinguished and the islands are flattened despite the small impact energy. The shape and size of the island configurations are strongly system dependent. Gold clusters deposited on Au(111) and Ag(111) films grown on mica do not aggregate, but deform due to strong cluster-substrate interactions. The clusters tend to grow epitaxially on these surfaces. On graphite and on mica, deposited clusters do diffuse and aggregate. On the graphite surface, large ramified islands are formed by juxtaposition of small islands and trapping of the clusters at the step edges. On the other hand, the diffusion of the clusters on mica results in a total coalescence of the Au n clusters into compact islands

  20. Magnetic properties and microstructure study of high coercivity Au/FePt/Au trilayer thin films

    International Nuclear Information System (INIS)

    Chen, S.K.; Yuan, F.T.; Liao, W.M.; Hsu, C.W.; Horng, Lance

    2006-01-01

    High-coercivity Au(60 nm)/FePt(δ nm)/Au(60 nm) trilayer samples were prepared by sputtering at room temperature, followed by post annealing at different temperatures. For the sample with δ=60 nm, L1 ordering transformation occurs at 500 deg. C. Coercivity (H c ) is increased with the annealing temperature in the studied range 400-800 deg. C. The H c value of the trilayer films is also varied with thickness of FePt intermediate layer (δ), from 27 kOe for δ=60 nm to a maximum value of 33.5 kOe for δ=20 nm. X-ray diffraction data indicate that the diffusion of Au atoms into the FePt L1 lattice is negligible even after a high-temperature (800 deg. C) annealing process. Furthermore, ordering parameter is almost unchanged as δ is reduced from 60 to 15 nm. Transmission electron microscope (TEM) photos indicate that small FePt Ll particles are dispersed amid the large-grained Au. We believe that the high coercivity of the trilayer sample is attributed to the small and uniform grain sizes of the highly ordered FePt particles which have perfect phase separation with Au matrix

  1. [Electronic and structural properties of individual nanometer-size supported metallic clusters

    International Nuclear Information System (INIS)

    Reifenberger, R.

    1993-01-01

    This report summarizes the work performed under contract DOE-FCO2-84ER45162. During the past ten years, our study of electron emission from laser-illuminated field emission tips has taken on a broader scope by addressing problems of direct interest to those concerned with the unique physical and chemical properties of nanometer-size clusters. The work performed has demonstrated that much needed data can be obtained on individual nanometer-size clusters supported on a wide-variety of different substrates. The work was performed in collaboration with R.P. Andres in the School of Chemical Engineering at Purdue University. The Multiple Expansion Cluster Source developed by Andres and his students was essential for producing the nanometer-size clusters studied. The following report features a discussion of these results. This report provides a motivation for studying the properties of nanometer-size clusters and summarizes the results obtained

  2. Tight-binding study of the structural and magnetic properties of vanadium clusters

    International Nuclear Information System (INIS)

    Zhao Jijun; Lain, K.D.

    1995-01-01

    The structural and magnetic properties of small vanadium clusters are studied in the framework of tight-binding theory. According to parameters of the cluster dimer and bulk solid, we developed a tight-binding interatomic potential and calculated the bonding energies for the different possible structures to determine the ground state atomic configurations of the small vanadium clusters. The theoretical bonding energies for the vanadium clusters agree with the experiment much better than the simple droplet model. However, the calculated values for the clusters of odd atomic number are somewhat higher than the measured ones, corresponding to the pair occupation of delocalized 4s 1 electrons. Based on the optimized geometries, we study the magnetic properties of these clusters through a parametrized Hubbard Hamiltonian. We find the small V clusters of ground-state structures exhibit antiferromagnetic behavior while the alignment of local moments in the clusters with the unoptimized structures may show either ferromagnetic or antiferromagnetic characteristics. The average magnetic moments of the clusters decrease nonmonotonically as cluster size increases and the theoretical results are consistent with the upper limits obtained from a recent experiment. (orig.)

  3. Magnetic properties of nearly stoichiometric CeAuBi2 heavy fermion compound

    International Nuclear Information System (INIS)

    Adriano, C.; Jesus, C. B. R.; Pagliuso, P. G.; Rosa, P. F. S.; Grant, T.; Fisk, Z.; Garcia, D. J.

    2015-01-01

    Motivated by the interesting magnetic anisotropy found in the heavy fermion family CeTX 2 (T = transition metal and X = pnictogen), here, we study the novel parent compound CeAu 1−x Bi 2−y by combining magnetization, pressure dependent electrical resistivity, and heat-capacity measurements. The magnetic properties of our nearly stoichiometric single crystal sample of CeAu 1−x Bi 2−y (x = 0.92 and y = 1.6) revealed an antiferromagnetic ordering at T N  = 12 K with an easy axis along the c-direction. The field dependent magnetization data at low temperatures reveal the existence of a spin-flop transition when the field is applied along the c-axis (H c  ∼ 7.5 T and T = 5 K). The heat capacity and pressure dependent resistivity data suggest that CeAu 0.92 Bi 1.6 exhibits a weak heavy fermion behavior with strongly localized Ce 3+ 4f electrons. Furthermore, the systematic analysis using a mean field model including anisotropic nearest-neighbors interactions and the tetragonal crystalline electric field (CEF) Hamiltonian allows us to extract a CEF scheme and two different values for the anisotropic J RKKY exchange parameters between the Ce 3+ ions in this compound. Thus, we discuss a scenario, considering both the anisotropic magnetic interactions and the tetragonal CEF effects, in the CeAu 1−x Bi 2−y compounds, and we compare our results with the isostructural compound CeCuBi 2

  4. Relaxation processes in optically excites metal clusters; Relaxationsprozesse in optisch angeregten Metallclustern

    Energy Technology Data Exchange (ETDEWEB)

    Stanzel, J.

    2007-08-10

    The present work is concerned with the dynamics of optically excited metal clusters in the gas phase. Small mass-selected gold and tungsten cluster anions (Au{sup -}{sub n}, n=5-8, 14, 20 and W{sup -}{sub n}, n=3-14) are studied using femtosecond time-resolved photoelectron spectroscopy. Depending on the electronic structure in the valence region as well as on the optical excitation energy fundamentally different relaxation processes are observed. In small gold cluster anions excited with 1.56 eV an isolated electronically excited state is populated. The time-dependent measurements are strongly sizedependent and open insights into photoinduced geometry changes of the nuclear framework. Oscillatory vibrational wavepacket motion in Au{sup -}{sub 5}, an extremely longlived ({tau} >90 ns) electronically excited state in Au{sup -}{sub 6} as well as photoinduced melting in Au{sup -}{sub 7} and Au{sup -}{sub 8} is monitored in real time. By increasing the OPTICAL excitation energy to 3.12 eV a completely different scenario is observed. A multitude of electronically excited states can be reached upon optical excitation and as a consequence electronic relaxation processes that take place on a time scale of 1 ps are dominating. This is shown for Au{sup -}{sub 7}, Au{sup -}{sub 14} and Au{sup -}{sub 20}. Compared to gold clusters, tungsten clusters are characterized by a significantly higher electronic density of states in the valence region. Therefore electronic relaxation processes are much more likely and take place on a significantly faster time scale. The fast electronic relaxation processes are distinguished from pure vibrational relaxation. It is shown that already in the four atomic tungsten cluster W{sup -}{sub 4} electronic relaxation processes take place on a time scale of 30 fs. In all investigated tungsten cluster anions (W{sup -}{sub n}, n=3-14) an equilibrium between electronic and vibrational system is reached within around 1 ps after optical excitation which

  5. Scattering of neutral metal clusters: Long-range interactions and response properties

    International Nuclear Information System (INIS)

    Kresin, V.V.; Scheidemann, A.

    1993-01-01

    The absolute integral cross sections for low-energy collisions of neutral sodium clusters Na n (n=2--40) with atoms and molecules (Ar, N 2 , O 2 , and halogens) have been measured. The cross sections are found to be exceptionally large (up to thousands of square angstroms), showing the dominant role of long-range intermolecular interactions. Elastic scattering proceeding under the influence of the van der Waals force, and a reaction channel involving electron transfer can successfully describe the measurements. The strength of the van der Waals potential is defined by such cluster response properties as the electric polarizability and the frequency of the giant dipole resonance. The reactive electron-jump channel, in turn, is described by the ''harpooning'' mechanism which is sensitive to the cluster ionization potential. Employing parameters taken from spectroscopic studies of alkali clusters, we obtain good agreement with the observed cross sections. This provides a direct connection between beam scattering experiments and studies of cluster electromagnetic response properties

  6. The MUSIC of galaxy clusters - II. X-ray global properties and scaling relations

    Science.gov (United States)

    Biffi, V.; Sembolini, F.; De Petris, M.; Valdarnini, R.; Yepes, G.; Gottlöber, S.

    2014-03-01

    We present the X-ray properties and scaling relations of a large sample of clusters extracted from the Marenostrum MUltidark SImulations of galaxy Clusters (MUSIC) data set. We focus on a sub-sample of 179 clusters at redshift z ˜ 0.11, with 3.2 × 1014 h-1 M⊙ mass. We employed the X-ray photon simulator PHOX to obtain synthetic Chandra observations and derive observable-like global properties of the intracluster medium (ICM), as X-ray temperature (TX) and luminosity (LX). TX is found to slightly underestimate the true mass-weighted temperature, although tracing fairly well the cluster total mass. We also study the effects of TX on scaling relations with cluster intrinsic properties: total (M500 and gas Mg,500 mass; integrated Compton parameter (YSZ) of the Sunyaev-Zel'dovich (SZ) thermal effect; YX = Mg,500 TX. We confirm that YX is a very good mass proxy, with a scatter on M500-YX and YSZ-YX lower than 5 per cent. The study of scaling relations among X-ray, intrinsic and SZ properties indicates that simulated MUSIC clusters reasonably resemble the self-similar prediction, especially for correlations involving TX. The observational approach also allows for a more direct comparison with real clusters, from which we find deviations mainly due to the physical description of the ICM, affecting TX and, particularly, LX.

  7. Electronic and magnetic properties of small rhodium clusters

    Energy Technology Data Exchange (ETDEWEB)

    Soon, Yee Yeen; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technology, Multimedia University, Melaka Campus, 75450 Melaka (Malaysia)

    2015-04-24

    We report a theoretical study of the electronic and magnetic properties of rhodium-atomic clusters. The lowest energy structures at the semi-empirical level of rhodium clusters are first obtained from a novel global-minimum search algorithm, known as PTMBHGA, where Gupta potential is used to describe the atomic interaction among the rhodium atoms. The structures are then re-optimized at the density functional theory (DFT) level with exchange-correlation energy approximated by Perdew-Burke-Ernzerhof generalized gradient approximation. For the purpose of calculating the magnetic moment of a given cluster, we calculate the optimized structure as a function of the spin multiplicity within the DFT framework. The resultant magnetic moments with the lowest energies so obtained allow us to work out the magnetic moment as a function of cluster size. Rhodium atomic clusters are found to display a unique variation in the magnetic moment as the cluster size varies. However, Rh{sub 4} and Rh{sub 6} are found to be nonmagnetic. Electronic structures of the magnetic ground-state structures are also investigated within the DFT framework. The results are compared against those based on different theoretical approaches available in the literature.

  8. The electric dipole moments in the ground states of gold oxide, AuO, and gold sulfide, AuS.

    Science.gov (United States)

    Zhang, Ruohan; Yu, Yuanqin; Steimle, Timothy C; Cheng, Lan

    2017-02-14

    The B 2 Σ - - X 2 Π 3/2 (0,0) bands of a cold molecular beam sample of gold monoxide, AuO, and gold monosulfide, AuS, have been recorded at high resolution both field free and in the presence of a static electric field. The observed electric field induced splittings and shifts were analyzed to produce permanent electric dipole moments, μ→ el , of 2.94±0.06 D and 2.22±0.05 D for the X 2 Π 3/2 (v = 0) states of AuO and AuS, respectively. A molecular orbital correlation diagram is used to rationalize the trend in ground state μ→ el values for AuX (X = F, Cl, O, and S) molecules. The experimentally determined μ→ el are compared to those computed at the coupled-cluster singles and doubles (CCSD) level augmented with a perturbative inclusion of triple excitations (CCSD(T)) level of theory.

  9. Au and Pd nanoparticles supported on CeO{sub 2}, TiO{sub 2}, and Mn{sub 2}O{sub 3} oxides

    Energy Technology Data Exchange (ETDEWEB)

    Nascente, P.A.P., E-mail: nascente@ufscar.br [Federal University of Sao Carlos, Department of Materials Engineering, Sao Carlos, SP (Brazil); Maluf, S.S.; Afonso, C.R.M. [Federal University of Sao Carlos, Department of Materials Engineering, Sao Carlos, SP (Brazil); Landers, R. [State University of Campinas, Institute of Physics, Department of Applied Physics, Campinas, SP (Brazil); Pinheiro, A.N.; Leite, E.R. [Federal University of Sao Carlos, Department of Chemistry, Sao Carlos, SP (Brazil)

    2014-10-01

    Highlights: • CeO{sub 2}, TiO{sub 2}, and Mn{sub 2}O{sub 3} supported Au and Pd nanoparticles. • Additions of 0.5 wt% of Au and Pd onto CeO{sub 2}, TiO{sub 2}, and Mn{sub 2}O{sub 3} supports. • Characterization by XRD, XPS, EDS, TEM, HRTEM, STEM, and EFTEM. - Abstract: Gold and palladium nanoparticles were incorporated on CeO{sub 2}, TiO{sub 2}, and Mn{sub 2}O{sub 3} supports prepared by a sol–gel method. The samples were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), energy dispersive spectroscopy (EDS), transmission electron microscopy (TEM), high resolution TEM (HRTEM), scanning TEM (STEM) in high angle annular dark field mode (HAADF), and energy filtered TEM (EFTEM) using electron energy loss spectroscopy (EELS). The XRD diffractograms presented sharp and intense peaks indicating that the samples are highly crystalline, but it did not detected any peak corresponding to Au or Pd phases. This indicates that the Au and Pd NPs were incorporated into the structures of the oxides. It was not possible to obtain an Au 4f spectrum for Au/Mn{sub 2}O{sub 3} due to an overlap with the Mn 3p spectrum. The XPS Au 4f spectra for Au/CeO{sub 2} and Au/TiO{sub 2} present negative chemical shifts that could be attributed to particle-size-related properties. The XPS Pd 3d spectra indicate that for both CeO{sub 2} and TiO{sub 2} substrates, the Pd NPs were in the metallic state, while for the Mn{sub 2}O{sub 3} substrate, the Pd NPs were oxidized. The HRTEM results show the formation of nanocrystalline oxides having particles sizes between 50 and 200 nm. TEM micrographs show that the addition of Au caused the formation of Au clusters in between the CeO{sub 2} NPS, formation of Au NPs for the TiO{sub 2} support, and homogeneous distribution of Au clusters for the Mn{sub 2}O{sub 3} support. The addition of Pd yielded a homogeneous dispersion throughout the CeO{sub 2} and TiO{sub 2}, but caused the formation of Pd clusters for the Mn{sub 2}O

  10. Tunable optical properties of plasmonic Au/Al2O3 nanocomposite thin films analyzed by spectroscopic ellipsometry accounting surface characteristics.

    Science.gov (United States)

    Jaiswal, Jyoti; Mourya, Satyendra; Malik, Gaurav; Chandra, Ramesh

    2018-05-01

    In the present work, we have fabricated plasmonic gold/alumina nanocomposite (Au/Al 2 O 3 NC) thin films on a glass substrate at room temperature by RF magnetron co-sputtering. The influence of the film thickness (∼10-40  nm) on the optical and other physical properties of the samples was investigated and correlated with the structural and compositional properties. The X-ray diffractometer measurement revealed the formation of Au nanoparticles with average crystallite size (5-9.2 nm) embedded in an amorphous Al 2 O 3 matrix. The energy-dispersive X ray and X-ray photoelectron spectroscopy results confirmed the formation of Au/Al 2 O 3 NC quantitatively and qualitatively and it was observed that atomic% of Au increased by increasing thickness. The optical constants of the plasmonic Au/Al 2 O 3 NC thin films were examined by variable angle spectroscopic ellipsometry in the wide spectral range of 246-1688 nm, accounting the surface characteristics in the optical stack model, and the obtained results are expected to be unique. Additionally, a thickness-dependent blueshift (631-590 nm) of surface plasmon resonance peak was observed in the absorption spectra. These findings of the plasmonic Au/Al 2 O 3 NC films may allow the design and fabrication of small, compact, and efficient devices for optoelectronic and photonic applications.

  11. The effect of copper and silver on the properties of Au-ZnO catalyst and its activity in glycerol oxidation

    Science.gov (United States)

    Kaskow, Iveta; Decyk, Piotr; Sobczak, Izabela

    2018-06-01

    The goal of this work was to use ZnO as a support for gold and copper (Au-Cu system) or gold and silver (Au-Ag system) and comparison of the effect of copper and silver on the properties of gold and its activity in glycerol oxidation with oxygen in the liquid phase. The samples prepared were fully characterized by XRD, TEM techniques and UV-vis, XPS, ESR spectroscopic methods. It was found that the introduction of copper and silver changed the electronic state of gold loaded on ZnO by the electron transfer between metals. Three different metallic gold species were identified in calcined catalysts: (Au°)δ- (Au-ZnO), (Au°)η- (AuCu-ZnO) and (Au°)γ- (AuAg-ZnO), where δ-,η-,γ- indicate a different partial negative charge on metallic gold and γ > δ > η. The results showed that (Au°)η- centers (metallic gold with the lowest negative charge) formed on AuCu-ZnO were the most active in glycerol oxidation. The increase in the negative charge on metallic gold loaded on AuAg-ZnO reduced the gold activity in silver containing sample. The glyceric acid adsorption and desorption rate influenced the selectivity of the catalysts.

  12. Ligand-free gold atom clusters adsorbed on graphene nano sheets generated by oxidative laser fragmentation in water

    Science.gov (United States)

    Lau, Marcus; Haxhiaj, Ina; Wagener, Philipp; Intartaglia, Romuald; Brandi, Fernando; Nakamura, Junji; Barcikowski, Stephan

    2014-08-01

    Over three decades after the first synthesis of stabilized Au55-clusters many scientific questions about gold cluster properties are still unsolved and ligand-free colloidal clusters are difficult to fabricate. Here we present a novel route to produce ultra-small gold particles by using a green technique, the laser ablation and fragmentation in water, without using reductive or stabilizing agents at any step of the synthesis. For fabrication only a pulsed laser, a gold-target, pure water, sodium hydroxide and hydrogen peroxide are deployed. The particles are exemplarily hybridized to graphene supports showing that these carbon-free colloidal clusters might serve as versatile building blocks.

  13. Quantitative properties of clustering within modern microscopic nuclear models

    International Nuclear Information System (INIS)

    Volya, A.; Tchuvil’sky, Yu. M.

    2016-01-01

    A method for studying cluster spectroscopic properties of nuclear fragmentation, such as spectroscopic amplitudes, cluster form factors, and spectroscopic factors, is developed on the basis of modern precision nuclear models that take into account the mixing of large-scale shell-model configurations. Alpha-cluster channels are considered as an example. A mathematical proof of the need for taking into account the channel-wave-function renormalization generated by exchange terms of the antisymmetrization operator (Fliessbach effect) is given. Examples where this effect is confirmed by a high quality of the description of experimental data are presented. By and large, the method in question extends substantially the possibilities for studying clustering phenomena in nuclei and for improving the quality of their description.

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

    Directory of Open Access Journals (Sweden)

    Arshid M. Ali

    2015-01-01

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

  15. Structural properties of silicon clusters: An empirical potential study

    International Nuclear Information System (INIS)

    Gong, X.G.; Zheng, Q.Q.; He Yizhen

    1993-09-01

    By using our newly proposed empirical interatomic potential for silicon, the structure and some dynamical properties of silicon cluster Si n (10 ≤ n ≤ 24) have been studied. It is found that the obtained results are close to those from ab-initio methods. From present results, we can gain a new insight into the understanding of the experimental data on the Si n clusters. (author). 20 refs, 6 figs

  16. Fabrication of Au/graphene oxide/Ag sandwich structure thin film and its tunable energetics and tailorable optical properties

    Directory of Open Access Journals (Sweden)

    Ruijin Hong

    2017-01-01

    Full Text Available Au/graphene oxide/Ag sandwich structure thin film was fabricated. The effects of graphene oxide (GO and bimetal on the structure and optical properties of metal silver films were investigated by X-ray diffraction (XRD, optical absorption, and Raman intensity measurements, respectively. Compared to silver thin film, Au/graphene oxide/Ag sandwich structure composite thin films were observed with wider optical absorption peak and enhanced absorption intensity. The Raman signal for Rhodamine B molecules based on the Au/graphene oxide/Ag sandwich nanostructure substrate were obviously enhanced due to the bimetal layer and GO layer with tunable absorption intensity and fluorescence quenching effects.

  17. Dielectric properties of isolated clusters beam deflection studies

    CERN Document Server

    Heiles, Sven

    2013-01-01

    A broad range of state-of-the-art methods to determine properties of clusters are presented. The experimental setup and underlying physical concepts of these experiments are described. Furthermore, existing theoretical models to explain the experimental observations are introduced and the possibility to deduce structural information from measurements of dielectric properties is discussed. Additional case studies are presented in the book to emphasize the possibilities but also drawbacks of the methods.

  18. Ultra-relativistic Au+Au and d+Au collisions:

    Science.gov (United States)

    Back, B. B.; Baker, M. D.; Ballintijn, M.; Barton, D. S.; Betts, R. R.; Bickley, A. A.; Bindel, R.; Budzanowski, A.; Busza, W.; Carroll, A.; Chai, Z.; Decowski, M. P.; García, E.; Gburek, T.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Hauer, M.; Heintzelman, G. A.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Hołyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Katzy, J.; Khan, N.; Kucewicz, W.; Kulinich, P.; Kuo, C. M.; Lin, W. T.; Manly, S.; McLeod, D.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Reed, C.; Remsberg, L. P.; Reuter, M.; Roland, C.; Roland, G.; Rosenberg, L.; Sagerer, J.; Sarin, P.; Sawicki, P.; Seals, H.; Sedykh, I.; Skulski, W.; Smith, C. E.; Stankiewicz, M. A.; Steinberg, P.; Stephans, G. S. F.; Sukhanov, A.; Tang, J.-L.; Tonjes, M. B.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Vaurynovich, S. S.; Verdier, R.; Veres, G. I.; Wenger, E.; Wolfs, F. L. H.; Wosiek, B.; Woźniak, K.; Wuosmaa, A. H.; Wysłouch, B.

    In this talk I will review PHOBOS data on charged particle multiplicities, obtained in Au+Au and d+Au collisions at RHIC. The general features of the Au+Au pseudorapidity distributions results will be discussed and compared to those of /line{p}p collisions. The total charged particle multiplicity, scaled by the number of participant pairs, is observed to be about 40% higher in Au+Au collisions than in /line{p}p and d+Au systems, but, surprisingly at the same level of e+e- collisions. Limiting fragmentation scaling is seen to be obeyed in Au+Au collisions.

  19. Monolithic Au/CeO2 nanorod framework catalyst prepared by dealloying for low-temperature CO oxidation

    Science.gov (United States)

    Zhang, Xiaolong; Duan, Dong; Li, Guijing; Feng, Wenjie; Yang, Sen; Sun, Zhanbo

    2018-03-01

    Monolithic Au/CeO2 nanorod frameworks (NFs) with porous structure were prepared by dealloying melt-spun Al89.7Ce10Au0.3 ribbons. After calcination in O2, a 3D Au/CeO2 NF catalyst with large surface area was obtained and used for low-temperature CO oxidation. The small Au clusters/nanoparticles (NPs) were in situ supported and highly dispersed on the nanorod surface, creating many nanoscale contact interfaces. XPS results demonstrated that high-concentration oxygen vacancy and Au δ+/Au0 co-existed in the calcined sample. The Au/CeO2 nanorod catalyst calcined at 400 °C exhibited much higher catalytic activity for CO oxidation compared with the dealloyed sample and bare CeO2 nanorods. Moreover, its complete reaction temperature was as low as 91 °C. The designed Au/CeO2 NF catalyst not only possessed extreme sintering resistance but also exhibited high performance owing to the enhanced interaction between the Au clusters/NPs and CeO2 nanorod during calcination.

  20. Close Binaries in the Orion Nebula Cluster: On the Universality of Stellar Multiplicity and the Origin of Field Stars

    Science.gov (United States)

    Duchene, Gaspard; Lacour, Sylvestre; Moraux, Estelle; Bouvier, Jerome; Goodwin, Simon

    2018-01-01

    While stellar multiplicity is an ubiquitous outcome of star formation, there is a clear dichotomy between the multiplicity properties of young (~1 Myr-old) stellar clusters, like the ONC, which host a mostly field-like population of visual binaries, and those of equally young sparse populations, like the Taurus-Auriga region, which host twice as many stellar companions. Two distinct scenarios can account for this observation: one in which different star-forming regions form different number of stars, and one in which multiplicity properties are universal at birth but where internal cluster dynamics destroy many wide binaries. To solve this ambiguity, one must probe binaries that are sufficiently close so as not to be destroyed through interactions with other cluster members. To this end, we have conducted a survey for 10-100 au binaries in the ONC using the aperture masking technique with the VLT adaptive optics system. Among our sample of the 42 ONC members, we discovered 13 companions in this range of projected separations. This is consistent with the companion frequency observed in the Taurus population and twice as high as that observed among field stars. This survey thus strongly supports the idea that stellar multiplicity is characterized by near-universal initial properties that can later be dynamically altered. On the other hand, this exacerbates the question of the origin of field stars, since only clusters much denser than the ONC can effectively destroyed binaries closer than 100 au.

  1. Fabrication of Au/graphene oxide/Ag sandwich structure thin film and its tunable energetics and tailorable optical properties

    OpenAIRE

    Ruijin Hong; Jialin Ji; Chunxian Tao; Daohua Zhang; Dawei Zhang

    2017-01-01

    Au/graphene oxide/Ag sandwich structure thin film was fabricated. The effects of graphene oxide (GO) and bimetal on the structure and optical properties of metal silver films were investigated by X-ray diffraction (XRD), optical absorption, and Raman intensity measurements, respectively. Compared to silver thin film, Au/graphene oxide/Ag sandwich structure composite thin films were observed with wider optical absorption peak and enhanced absorption intensity. The Raman signal for Rhodamine B ...

  2. The Cluster Enterprise of Real Property Business

    DEFF Research Database (Denmark)

    Stubkjær, Erik

    2008-01-01

    others. The paper regards the domain of real property transactions. Drawing on research of European scope, it analyzes the framework of business processes in order to facilitate adoption of service oriented architectures. The paper motivates the notion of a ‘cluster enterprise' and identifies further......In order to apply the potential of available web technology, business processes must be described in a coherent way across organizational boundaries. Business processes include geographical data in the context of constructions, as well as environmental affairs and real property transactions, among...... steps towards a standardization of real estate business....

  3. Theoretical studies of acrolein hydrogenation on Au20 nanoparticle

    Science.gov (United States)

    Li, Zhe; Chen, Zhao-Xu; He, Xiang; Kang, Guo-Jun

    2010-05-01

    Gold nanoparticles play a key role in catalytic processes. We investigated the kinetics of stepwise hydrogenation of acrolein on Au20 cluster model and compared with that on Au(110) surface. The rate-limiting step barrier of CC reduction is about 0.5 eV higher than that of CO hydrogenation on Au(110) surface. On Au20 nanoparticle, however, the energy barrier of the rate-determining step for CC hydrogenation turns out to be slightly lower than the value for the CO reduction. The selectivity difference on the two substrate models are attributed to different adsorption modes of acrolein: via the CC on Au20, compared to through both CC and CO on Au(110). The preference switch implies that the predicted selectivity of competitive hydrogenation depends on substrate model sensitively, and particles with more low-coordinated Au atoms than flat surfaces are favorable for CC hydrogenation, which is in agreement with experimental result.

  4. Observing the real time formation of phosphine-ligated gold clusters by electrospray ionization mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Ligare, Marshall R.; Johnson, Grant E.; Laskin, Julia

    2017-01-01

    Early stages of the reduction and nucleation of solution-phase gold clusters are largely unknown. This is due, in part, to the high reaction rates and the complexity of the cluster synthesis process. Through the addition of a diphosphine ligand, 1-4,Bis(diphenylphosphino)butane (L4) to the gold precursor, chloro(triphenylphosphine) gold(I) (Au(PPh3)Cl), in methanol organometallic complexes of the type, [Au(L4)x(L4O)y(PPh3)z]+, are formed. These complexes lower the rate of reduction so that the reaction can be directly monitored from 1 min to over an hour using on-line electrospray ionization mass spectrometry (ESI-MS). Our results indicate that the formation of Au8(L4)42+, Au9(L4)4H2+ and Au10(L4)52+ cationic clusters occurs through different reaction pathways that may be kinetically controlled either through the reducing agent concentration or the extent of oxidation of L4. Through comparison of selected ion chronograms our results indicate that Au2(L4)2H+ may be an intermediate in the formation of Au8(L4)42+and Au10(L4)52+ while a variety of chlorinated clusters are involved in the formation of Au9(L4)4H2+. Additionally, high-resolution mass spectrometry was employed to identify 53 gold containing species produced under highly oxidative conditions. New intermediate species are identified which help understand how different gold cluster nuclearities can be stabilized during the growth process.

  5. A superconducting battery material: Lithium gold boride (LiAu3B)

    Science.gov (United States)

    Aydin, Sezgin; Şimşek, Mehmet

    2018-04-01

    The superconducting and potential cathode material properties of ternary boride of LiAu3B have been investigated by density functional first principles. The Li-concentration effects on the actual electronic and structural properties, namely the properties of LixAu9B3 (x = 0, 1, 2) sub-systems are studied. It is remarkably shown that the existence of Li-atoms has no considerable effect on the structural properties of Au-B skeleton in LiAu3B. Then, it can be offered as a potential cathode material for Li-ion batteries with the very small volume deviation of 0.42%, and the suitable average open circuit voltage of ∼1.30 V. Furthermore, the vibrational and superconducting properties such as electron-phonon coupling constant (λ) and critical temperature (Tc) of LiAu3B are studied. The calculated results suggest that LiAu3B should be a superconductor with Tc ∼5.8 K, also.

  6. Production of strange clusters in relativistic heavy ion collisions

    International Nuclear Information System (INIS)

    Dover, C.B.; Baltz, A.J.; Pang, Yang; Schlagel, T.J.; Kahana, S.H.

    1993-02-01

    We address a number of issues related to the production of strangeness in high energy heavy ion collisions, including the possibility that stable states of multi-strange hyperonic or quark matter might exist, and the prospects that such objects may be created and detected in the laboratory. We make use of events generated by the cascade code ARC to estimate the rapidity distribution dN/dy of strange clusters produced in Si+Au and Au+Au collisions at AGS energies. These calculations are performed in a simple coalescence model, which yields a consistent description of the strange cluster (d, 3 HE, 3 H, 4 He) production at these energies. If a doubly strange, weakly bound ΛΛ dibaryon exists, we find that it is produced rather copiously in Au+Au collisions, with dN/dy ∼0.1 at raid-rapidity. If one adds another non-strange or strange baryon to a cluster, the production rate decreases by roughly one or two orders of magnitude, respectively. For instance, we predict that the hypernucleus ΛΛ 6 He should have dN/dy ∼5 x 10 -6 for Au+Au central collisions. It should be possible to measure the successive Λ → pπ- weak decays of this object. We comment on the possibility that conventional multi-strange hypernuclei may serve as ''doorway states'' for the production of stable configurations of strange quark matter, if such states exist

  7. Effects of coating molecules on the magnetic heating properties of Au-Fe3O4 heterodimer nanoparticles

    Science.gov (United States)

    Yamamoto, Y.; Ogasawara, J.; Himukai, H.; Itoh, T.

    2016-10-01

    In this paper, we report the heating properties of gold-magnetite (Au-Fe3O4) heterodimer nanoparticles (NPs) subjected to an alternating magnetic field. The Au-Fe3O4 NPs coated with oleic acid and oleylamine (OA) were synthesized through a method that combines seed mediation and high-temperature decomposition. The coating was replaced with dimercaptosuccinic acid (DMSA) by the ligand-exchange method. The specific absorption rates (SARs) for the OA- and DMSA-coated Au-Fe3O4 NPs coated with OA and DMSA at room temperature were determined through the calorimetric and magnetometric methods. SAR depended on the square of the magnetic field H up to an H value of 4 kA/m. The absolute value of the SAR for DMSA-coated NPs is about fivefold higher than that of the OA-coated NPs. The AC magnetic hysteresis measurements showed the recovery of the magnetic volume and the decrease in the magnetic anisotropy of the DMSA-coated NPs relative to those of the OA-coated NPs. These results suggest that the protective agent influences the magnetic properties of magnetite NPs via gold NPs.

  8. Correlation of the plasmon-enhanced photoconductance and photovoltaic properties of core-shell Au@TiO{sub 2} network

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Yiqun [Department of Chemistry, Kansas State University, Manhattan, Kansas 66506 (United States); Wu, Judy [Department of Physics and Astronomy, University of Kansas, Lawrence, Kansas 66045 (United States); Li, Jun, E-mail: junli@ksu.edu [Department of Chemistry, Kansas State University, Manhattan, Kansas 66506 (United States); College of Chemistry and Chemical Engineering, Hubei Normal University, Huangshi, Hubei 435002 (China)

    2016-08-29

    This study reveals the contribution of hot electrons from the excited plasmonic nanoparticles in dye sensitized solar cells (DSSCs) by correlating the photoconductance of a core-shell Au@TiO{sub 2} network on a micro-gap electrode and the photovolatic properties of this material as photoanodes in DSSCs. The distinct wavelength dependence of these two devices reveals that the plasmon-excited hot electrons can easily overcome the Schottky barrier at Au/TiO{sub 2} interface in the whole visible wavelength range and transfer from Au nanoparticles into the TiO{sub 2} network. The enhanced charge carrier density leads to higher photoconductance and facilitates more efficient charge separation and photoelectron collection in the DSSCs.

  9. Giant metal sputtering yields induced by 20-5000 keV/atom gold clusters

    International Nuclear Information System (INIS)

    Andersen, H.H.; Brunelle, A.; Della-Negra, S.; Depauw, J.; Jacquet, D.; Le Beyec, Y.

    1997-01-01

    Very large non-linear effects have been found in cluster-induced metal sputtering over a broad projectile energy interval for the first time. Recently available cluster beams from tandem accelerators have allowed sputtering yield measurements to be made with Au 1 to Au 5 from 20 keV/atom to 5 MeV/atom. The cluster-sputtering yield maxima were found at the same total energy but not at the same energy/atom as expected. For Au 5 a yield as high as 3000 was reached at 150 keV/atom while the Au 1 yield was only 55 at the same velocity. The Sigmund-Claussen thermal spike theory, which fits published data at low energy, cannot reproduce our extended new data set. (author)

  10. Architecture of Pd-Au bimetallic nanoparticles in sodium bis(2-ethylhexyl)sulfosuccinate reverse micelles as investigated by X-ray absorption spectroscopy.

    Science.gov (United States)

    Chen, Ching-Hsiang; Sarma, Loka Subramanyam; Chen, Jium-Ming; Shih, Shou-Chu; Wang, Guo-Rung; Liu, Din-Goa; Tang, Mau-Tsu; Lee, Jyh-Fu; Hwang, Bing-Joe

    2007-09-01

    In this study, we demonstrate the unique application of X-ray absorption spectroscopy (XAS) as a fundamental characterization tool to help in designing and controlling the architecture of Pd-Au bimetallic nanoparticles within a water-in-oil microemulsion system of water/sodium bis(2-ethylhexyl)sulfosuccinate (AOT)/n-heptane. Structural insights obtained from the in situ XAS measurements recorded at each step during the formation process revealed that Pd-Au bimetallic clusters with various Pd-Au atomic stackings are formed by properly performing hydrazine reduction and redox transmetalation reactions sequentially within water-in-oil microemulsions. A structural model is provided to explain reasonably each reaction step and to give detailed insight into the nucleation and growth mechanism of Pd-Au bimetallic clusters. The combination of in situ XAS analysis at both the Pd K-edge and the Au L(III)-edge and UV-vis absorption spectral features confirms that the formation of Pd-Au bimetallic clusters follows a (Pd(nuclei)-Au(stack))-Pd(surf) stacking. This result further implies that the thickness of Au(stack) and Pd(surf) layers may be modulated by varying the dosage of the Au precursor and hydrazine, respectively. In addition, a bimetallic (Pd-Au)(alloy) nanocluster with a (Pd(nuclei)-Au(stack))-(Pd-Au(alloy))(surf) stacking was also designed and synthesized in order to check the feasibility of Pd(surf) layer modification. The result reveals that the Pd(surf) layer of the stacked (Pd(nuclei)-Au)(stack) bimetallic clusters can be successfully modified to form a (Au-Pd alloy)(surf) layer by a co-reduction of Pd and Au ions by hydrazine. Further, we demonstrate the alloying extent or atomic distribution of Pd and Au in Pd-Au bimetallic nanoparticles from the derived XAS structural parameters. The complete XAS-based methodology, demonstrated here on the Pd-Au bimetallic system, can easily be extended to design and control the alloying extent or atomic distribution, atomic

  11. Effect of annealing temperature on electrical properties of Au/polyvinyl alcohol/n-InP Schottky barrier structure

    International Nuclear Information System (INIS)

    Reddy, V. Rajagopal; Reddy, M. Siva Pratap; Kumar, A. Ashok; Choi, Chel-Jong

    2012-01-01

    In the present work, thin film of polyvinyl alcohol (PVA) is fabricated on n-type InP substrate as an interfacial layer for electronic modification of Au/n-InP Schottky contact. The electrical characteristics of Au/PVA/n-InP Schottky diode are determined at annealing temperature in the range of 100–300 °C by current–voltage (I-V) and capacitance–voltage (C-V) methods. The Schottky barrier height and ideality factor (n) values of the as-deposited Au/PVA/n-InP diode are obtained at room temperature as 0.66 eV (I-V), 0.82 eV (C-V) and 1.32, respectively. Upon annealing at 200 °C in nitrogen atmosphere for 1 min, the barrier height value increases to 0.81 eV (I-V), 0.99 eV (C-V) and ideality factor decreases to 1.18. When the contact is annealed at 300 °C, the barrier height value decreases to 0.77 eV (I-V), 0.96 eV (C-V) and ideality factor increases to 1.22. It is observed that the interfacial layer of PVA increases the barrier height by the influence of the space charge region of the Au/n-InP Schottky junction. The discrepancy between Schottky barrier heights calculated from I-V and C-V measurements is also explained. Further, Cheung's functions are used to extract the series resistance of Au/PVA/n-InP Schottky diode. The interface state density as determined by Terman's method is found to be 1.04 × 10 12 and 0.59 × 10 12 cm −2 eV −1 for the as-deposited and 200 °C annealed Au/PVA/n-InP Schottky diodes. Finally, it is seen that the Schottky diode parameters changed with increase in the annealing temperature. - Highlights: ► Electrical properties of Au/polyvinyl alcohol (PVA)/n-InP structure have been studied. ► The Au/PVA/n-InP Schottky structure showed a good rectifying behavior. ► A maximum barrier height is obtained when the contact is annealed at 200 °C. ► Interface state density found to be 0.59 × 10 12 cm −2 eV −1 for 200 °C annealed contact. ► Significant effect of interface state density and series resistance on electrical

  12. Photochemical Synthesis and Properties of Colloidal Copper, Silver and Gold Adsorbed on Quartz

    International Nuclear Information System (INIS)

    Loginov, Anatoliy V.; Gorbunova, Valentina V.; Boitsova, Tatiana B.

    2002-01-01

    Original methods for the photochemical production of stable copper, silver and gold colloids in the form of films on quartz, and dispersion in liquids were devised. It is shown that photochemical synthesis of colloidal metals is a difficult multiphase process, and includes the formation of low-valence forms of Cu(I), Au(I) and nonmetal clusters, colloidal particles and their agglomerates. Cluster stabilization and further growth to colloidal particles are achieved by adsorption onto the solid surface (quartz) or by increasing the viscosity of photolyte. In the absence of these methods of stabilization, the processes of intermediate reoxidation to Cu(II) and Au(III) and agglomeration of Ag and Au colloids proceed in a photolyte. Adsorption and the rate of cluster growth on a quartz surface are speeded up by the action of monochromatic UV light. Experimental models of the mechanism of colloidal formation are suggested. The dependence of the growth rate and the properties of the colloids on conditions of the photochemical procedure (energy and light intensity, concentration of initial complex) has been established

  13. Evolution of local atomic structure during solidification of Al2Au liquid: An ab initio study

    Energy Technology Data Exchange (ETDEWEB)

    Xiong, L H; Lou, H B; Wang, X D; Debela, T T; Cao, Q P; Zhang, D X; Wang, S Y; Wang, C Z; Jiang, J Z

    2014-04-01

    The local atomic structure evolution in Al2Au alloy during solidification from 2000 K to 400 K was studied by ab initio molecular dynamics simulations and analyzed using the structure factor, pair correlation functions, bond angle distributions, the Honeycutt-Anderson (HA) index and Voronoi tessellation methods. It was found that the icosahedral-like clusters are negligible in the Al2Au stable liquid and supercooled liquid states, and the most abundant clusters are those having HA indices of 131 and 120 or Voronoi indices of < 0,4,4,0 >, < 0,3, 6,0 > and < 0,4,4,2 > with coordination numbers of 8, 9 and 10, respectively. These clusters are similar to the local atomic structures in the CaF2-type Al2Au crystal, revealing the existence of structure heredity between liquid and crystalline phase in Al2Au alloy. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  14. Evolution of local atomic structure during solidification of Al2Au liquid: An ab initio study

    International Nuclear Information System (INIS)

    Xiong, L.H.; Lou, H.B.; Wang, X.D.; Debela, T.T.; Cao, Q.P.; Zhang, D.X.; Wang, S.Y.; Wang, C.Z.; Jiang, J.Z.

    2014-01-01

    The local atomic structure evolution in Al 2 Au alloy during solidification from 2000 K to 400 K was studied by ab initio molecular dynamics simulations and analyzed using the structure factor, pair correlation functions, bond angle distributions, the Honeycutt–Anderson (HA) index and Voronoi tessellation methods. It was found that the icosahedral-like clusters are negligible in the Al 2 Au stable liquid and supercooled liquid states, and the most abundant clusters are those having HA indices of 131 and 120 or Voronoi indices of 〈0, 4, 4, 0〉, 〈0, 3, 6, 0〉 and 〈0, 4, 4, 2〉 with coordination numbers of 8, 9 and 10, respectively. These clusters are similar to the local atomic structures in the CaF 2 -type Al 2 Au crystal, revealing the existence of structure heredity between liquid and crystalline phase in Al 2 Au alloy

  15. An Atomically Precise Au10 Ag2 Nanocluster with Red-Near-IR Dual Emission.

    Science.gov (United States)

    Lei, Zhen; Guan, Zong-Jie; Pei, Xiao-Li; Yuan, Shang-Fu; Wan, Xian-Kai; Zhang, Jin-Yuan; Wang, Quan-Ming

    2016-08-01

    A red-near-IR dual-emissive nanocluster with the composition [Au10 Ag2 (2-py-C≡C)3 (dppy)6 ](BF4 )5 (1; 2-py-C≡C is 2-pyridylethynyl, dppy=2-pyridyldiphenylphosphine) has been synthesized. Single-crystal X-ray structural analysis reveals that 1 has a trigonal bipyramidal Au10 Ag2 core that contains a planar Au4 (2-py-C≡C)3 unit sandwiched by two Au3 Ag(dppy)3 motifs. Cluster 1 shows intense red-NIR dual emission in solution. The visible emission originates from metal-to-ligand charge transfer (MLCT) from silver atoms to phosphine ligands in the Au3 Ag(dppy)3 motifs, and the intense NIR emission is associated with the participation of 2-pyridylethynyl in the frontier orbitals of the cluster, which is confirmed by a time-dependent density functional theory (TD-DFT) calculation. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Finite-size modifications of the magnetic properties of clusters

    DEFF Research Database (Denmark)

    Hendriksen, Peter Vang; Linderoth, Søren; Lindgård, Per-Anker

    1993-01-01

    relative to the bulk, and the consequent neutron-scattering cross section exhibits discretely spaced wave-vector-broadened eigenstates. The implications of the finite size on thermodynamic properties, like the temperature dependence of the magnetization and the critical temperature, are also elucidated. We...... find the temperature dependence of the cluster magnetization to be well described by an effective power law, M(mean) is-proportional-to 1 - BT(alpha), with a size-dependent, but structure-independent, exponent larger than the bulk value. The critical temperature of the clusters is calculated from...... the spin-wave spectrum by a method based on the correlation theory and the spherical approximation generalized to the case of finite systems. A size-dependent reduction of the critical temperature by up to 50% for the smallest clusters is found. The trends found for the model clusters are extrapolated...

  17. Toward hybrid Au nanorods @ M (Au, Ag, Pd and Pt) core-shell heterostructures for ultrasensitive SERS probes

    Science.gov (United States)

    Xie, Xiaobin; Gao, Guanhui; Kang, Shendong; Lei, Yanhua; Pan, Zhengyin; Shibayama, Tamaki; Cai, Lintao

    2017-06-01

    Being able to precisely control the morphologies of noble metallic nanostructures is of essential significance for promoting the surface-enhanced Raman scattering (SERS) effect. Herein, we demonstrate an overgrowth strategy for synthesizing Au @ M (M = Au, Ag, Pd, Pt) core-shell heterogeneous nanocrystals with an orientated structural evolution and highly improved properties by using Au nanorods as seeds. With the same reaction condition system applied, we obtain four well-designed heterostructures with diverse shapes, including Au concave nanocuboids (Au CNs), Au @ Ag crystalizing face central cube nanopeanuts, Au @ Pd porous nanocuboids and Au @ Pt nanotrepangs. Subsequently, the exact overgrowth mechanism of the above heterostructural building blocks is further analysed via the systematic optimiziation of a series of fabrications. Remarkably, the well-defined Au CNs and Au @ Ag nanopeanuts both exhibit highly promoted SERS activity. We expect to be able to supply a facile strategy for the fabrication of multimetallic heterogeneous nanostructures, exploring the high SERS effect and catalytic activities.

  18. Configuration dependent deformation in 183Au

    International Nuclear Information System (INIS)

    Joshi, P.; Kumar, A.; Govil, I.M.; Mukherjee, G.; Singh, R.P.; Muralithar, S.; Bhowmik, R.K.

    1998-01-01

    The lifetime measurements in 183 Au nucleus were carried in order to probe the deformation properties of the band built on the i 3/2 and h 9/2 configurations. The nucleus of 183 Au was populated using a reaction 28 Si( 159 Tb,4n) 183 Au at a beam energy of 140 MeV. Lifetime measurements were carried out using Recoil Distance Measurements (RDM) method

  19. Improved size-tunable synthesis and SERS properties of Au nanostars

    Science.gov (United States)

    Khlebtsov, Boris; Panfilova, Elizaveta; Khanadeev, Vitaly; Khlebtsov, Nikolai

    2014-10-01

    Multibranched Au nanoparticles with sharp tips (commonly called nanostars, NSTs) have attracted significant attention as bright scattering labels, photothermal transducers, nanocarriers, and surface-enhanced Raman scattering (SERS) tags. However, for surfactant-free synthesized NSTs, the existing data on the size tuning and the relation between the size of NSTs and their SERS efficiency still remain limited. Here, we address these questions by synthesizing and comparing SERS for surfactant-free NSTs of different sizes and plasmon resonance (PR) wavelengths. The NSTs were fabricated by seeded growth through a two-step surfactant-free approach in which quasispherical seeds were overgrown via reduction of added Au by ascorbic acid in the presence of Ag ions. By varying the seed size from 3 to 35 nm, we tuned the final NST size from 45 to 150 nm while retaining the star-like morphology with sharp tips and ensuring PR tunability from 630 to 900 nm. The NST size and PR limits can be expanded from 40 to 200 nm and from 600 to 930 nm, respectively, by simultaneous variation in the seed size and concentration. The SERS efficiency of the fabricated NSTs was examined by Raman measurements of 1,4-aminothiophenol (ATP) adsorbed on the surface of colloidal NST particles. Although the homogenous analytical enhancement factor (AEF) did not depend essentially on the NST size and varied from 4 × 106 to 107, the enhancing properties of single-particle NST tags were strongly size-dependent. Specifically, the AEF for 150-nm NST35-ATP complexes was 30 and 100 times greater than that for 70-nm NST15-ATP and 45-nm NST3-ATP complexes, respectively. These properties make the NST-ATP complex a prospective platform for SERS imaging.

  20. Intra Cluster Light properties in the CLASH-VLT cluster MACS J1206.2-0847

    CERN Document Server

    Presotto, V; Nonino, M; Mercurio, A; Grillo, C; Rosati, P; Biviano, A; Annunziatella, M; Balestra, I; Cui, W; Sartoris, B; Lemze, D; Ascaso, B; Moustakas, J; Ford, H; Fritz, A; Czoske, O; Ettori, S; Kuchner, U; Lombardi, M; Maier, C; Medezinski, E; Molino, A; Scodeggio, M; Strazzullo, V; Tozzi, P; Ziegler, B; Bartelmann, M; Benitez, N; Bradley, L; Brescia, M; Broadhurst, T; Coe, D; Donahue, M; Gobat, R; Graves, G; Kelson, D; Koekemoer, A; Melchior, P; Meneghetti, M; Merten, J; Moustakas, L; Munari, E; Postman, M; Regős, E; Seitz, S; Umetsu, K; Zheng, W; Zitrin, A

    2014-01-01

    We aim at constraining the assembly history of clusters by studying the intra cluster light (ICL) properties, estimating its contribution to the fraction of baryons in stars, f*, and understanding possible systematics/bias using different ICL detection techniques. We developed an automated method, GALtoICL, based on the software GALAPAGOS to obtain a refined version of typical BCG+ICL maps. We applied this method to our test case MACS J1206.2-0847, a massive cluster located at z=0.44, that is part of the CLASH sample. Using deep multi-band SUBARU images, we extracted the surface brightness (SB) profile of the BCG+ICL and we studied the ICL morphology, color, and contribution to f* out to R500. We repeated the same analysis using a different definition of the ICL, SBlimit method, i.e. a SB cut-off level, to compare the results. The most peculiar feature of the ICL in MACS1206 is its asymmetric radial distribution, with an excess in the SE direction and extending towards the 2nd brightest cluster galaxy which i...

  1. Statistical properties and fractals of nucleotide clusters in DNA sequences

    International Nuclear Information System (INIS)

    Sun Tingting; Zhang Linxi; Chen Jin; Jiang Zhouting

    2004-01-01

    Statistical properties of nucleotide clusters in DNA sequences and their fractals are investigated in this paper. The average size of nucleotide clusters in non-coding sequence is larger than that in coding sequence. We investigate the cluster-size distribution P(S) for human chromosomes 21 and 22, and the results are different from previous works. The cluster-size distribution P(S 1 +S 2 ) with the total size of sequential Pu-cluster and Py-cluster S 1 +S 2 is studied. We observe that P(S 1 +S 2 ) follows an exponential decay both in coding and non-coding sequences. However, we get different results for human chromosomes 21 and 22. The probability distribution P(S 1 ,S 2 ) of nucleotide clusters with the size of sequential Pu-cluster and Py-cluster S 1 and S 2 respectively, is also examined. In the meantime, some of the linear correlations are obtained in the double logarithmic plots of the fluctuation F(l) versus nucleotide cluster distance l along the DNA chain. The power spectrums of nucleotide clusters are also discussed, and it is concluded that the curves are flat and hardly changed and the 1/3 frequency is neither observed in coding sequence nor in non-coding sequence. These investigations can provide some insights into the nucleotide clusters of DNA sequences

  2. Magnetic Hysteresis in Nanocomposite Films Consisting of a Ferromagnetic AuCo Alloy and Ultrafine Co Particles

    Directory of Open Access Journals (Sweden)

    Federico Chinni

    2017-06-01

    Full Text Available One fundamental requirement in the search for novel magnetic materials is the possibility of predicting and controlling their magnetic anisotropy and hence the overall hysteretic behavior. We have studied the magnetism of Au:Co films (~30 nm thick with concentration ratios of 2:1, 1:1, and 1:2, grown by magnetron sputtering co-deposition on natively oxidized Si substrates. They consist of a AuCo ferromagnetic alloy in which segregated ultrafine Co particles are dispersed (the fractions of Co in the AuCo alloy and of segregated Co increase with decreasing the Au:Co ratio. We have observed an unexpected hysteretic behavior characterized by in-plane anisotropy and crossed branches in the loops measured along the hard magnetization direction. To elucidate this phenomenon, micromagnetic calculations have been performed for a simplified system composed of two exchange-coupled phases: a AuCo matrix surrounding a Co cluster, which represents an aggregate of particles. The hysteretic features are qualitatively well reproduced provided that the two phases have almost orthogonal anisotropy axes. This requirement can be plausibly fulfilled assuming a dominant magnetoelastic character of the anisotropy in both phases. The achieved conclusions expand the fundamental knowledge on nanocomposite magnetic materials, offering general guidelines for tuning the hysteretic properties of future engineered systems.

  3. Clustering of near clusters versus cluster compactness

    International Nuclear Information System (INIS)

    Yu Gao; Yipeng Jing

    1989-01-01

    The clustering properties of near Zwicky clusters are studied by using the two-point angular correlation function. The angular correlation functions for compact and medium compact clusters, for open clusters, and for all near Zwicky clusters are estimated. The results show much stronger clustering for compact and medium compact clusters than for open clusters, and that open clusters have nearly the same clustering strength as galaxies. A detailed study of the compactness-dependence of correlation function strength is worth investigating. (author)

  4. Structure, reactivity and electronic properties of Mn doped Ni13 clusters

    International Nuclear Information System (INIS)

    Banerjee, Radhashyam; Datta, Soumendu; Mookerjee, Abhijit

    2013-01-01

    In this work we have studied the structural and magnetic properties of Ni 13 cluster mono- and bi-doped with Mn atoms. We have noted their tendency of being reactive toward the H 2 molecule. We have found unusually enhanced stability in the mono-doped cluster (i.e. of the Ni 12 Mn) and the diminished stability of the corresponding chemisorbed cluster, Ni 12 MnH 2 . Our analysis of the stability and HOMO–LUMO gap explains this unusual behavior. Interestingly, we have also seen the quenching in the net magnetic moment upon H 2 absorption in the doped Ni 13−m Mn m alloy clusters. This has been reported earlier for smaller Ni n clusters [1

  5. Structure, reactivity and electronic properties of Mn doped Ni13 clusters

    Science.gov (United States)

    Banerjee, Radhashyam; Datta, Soumendu; Mookerjee, Abhijit

    2013-06-01

    In this work we have studied the structural and magnetic properties of Ni13 cluster mono- and bi-doped with Mn atoms. We have noted their tendency of being reactive toward the H2 molecule. We have found unusually enhanced stability in the mono-doped cluster (i.e. of the Ni12Mn) and the diminished stability of the corresponding chemisorbed cluster, Ni12MnH2. Our analysis of the stability and HOMO-LUMO gap explains this unusual behavior. Interestingly, we have also seen the quenching in the net magnetic moment upon H2 absorption in the doped NiMnm alloy clusters. This has been reported earlier for smaller Nin clusters [1].

  6. Transverse velocity scaling in 197Au+197Au fragmentation

    International Nuclear Information System (INIS)

    Lukasik, J.; Hudan, S.; Lavaud, F.

    2002-07-01

    Invariant transverse-velocity spectra of intermediate-mass fragments were measured with the 4π multi-detector system INDRA for collisions of 197 Au on 197 Au at incident energies between 40 and 150 MeV per nucleon. Their scaling properties as a function of incident energy and atomic number Z are used to distinguish and characterize the emissions in (i) peripheral collisions at the projectile and target rapidities, and in (ii) central and (iii) peripheral collisions near mid-rapidity. The importance of dynamical effects is evident in all three cases and their origin is discussed. (orig.)

  7. Depth-selective 2D-ACAR and coincidence Doppler investigation of embedded Au nanocrystals in MgO

    International Nuclear Information System (INIS)

    Eijt, S.W.H.; Veen, A. van; Falub, C.V.; Schut, H.; Huis, M.A. van; Mijnarends, P.E.

    2004-01-01

    We present a depth-selective 2D-ACAR and two-detector Doppler broadening study on Au nanocrystals in monocrystalline MgO(100), produced in sub-surface layers by ion implantation and subsequent thermal annealing to temperatures beyond the stability range of vacancy clusters in MgO. In contrast to the case of Li nanocrystals, it was found that positrons do not trap inside the Au nanocrystals, but only in defects at the nanocrystal-to-host interface (attached vacancy clusters). This is interpreted in terms of the positron affinity of Au, MgO and the defects. (orig.)

  8. Depth-selective 2D-ACAR and coincidence Doppler investigation of embedded Au nanocrystals in MgO

    Energy Technology Data Exchange (ETDEWEB)

    Eijt, S.W.H.; Veen, A. van; Falub, C.V.; Schut, H.; Huis, M.A. van [Interfaculty Reactor Inst., Delft Univ. of Technology, Delft (Netherlands); Mijnarends, P.E. [Interfaculty Reactor Inst., Delft Univ. of Technology, Delft (Netherlands); Dept. of Physics, Northeastern Univ., Boston, MA (United States)

    2004-07-01

    We present a depth-selective 2D-ACAR and two-detector Doppler broadening study on Au nanocrystals in monocrystalline MgO(100), produced in sub-surface layers by ion implantation and subsequent thermal annealing to temperatures beyond the stability range of vacancy clusters in MgO. In contrast to the case of Li nanocrystals, it was found that positrons do not trap inside the Au nanocrystals, but only in defects at the nanocrystal-to-host interface (attached vacancy clusters). This is interpreted in terms of the positron affinity of Au, MgO and the defects. (orig.)

  9. Annealing effects on structural and electrical properties of Ru/Au on n-GaN Schottky contacts

    International Nuclear Information System (INIS)

    Reddy, V. Rajagopal; Rao, P. Koteswara; Ramesh, C.K.

    2007-01-01

    Thermal annealing effects on electrical and structural properties of Ru/Au Schottky contact to n-type GaN (n d = 4.07 x 10 17 cm -3 ) have been investigated using current-voltage (I-V), capacitance-voltage (C-V), Auger electron spectroscopy (AES) and X-ray diffraction (XRD). The Schottky barrier height of the as-deposited sample was found to be 0.75 eV (I-V) and 0.93 eV (C-V), respectively. It is noted that the barrier height increased when the contact was annealed at 300 deg. C and slightly decreased upon annealing at temperatures of 400 deg. C and 500 deg. C. The extracted Schottky barrier heights are 0.99 eV (I-V), 1.34 eV (C-V) for 300 deg. C, 0.88 eV (I-V), 1.20 eV (C-V) for 400 deg. C and 0.72 eV (I-V), 1.08 eV (C-V) for 500 deg. C annealed contacts, respectively. Further it is observed that annealing results in the improvement of electrical properties of Ru/Au Schottky contacts. Based on Auger electron spectroscopy and X-ray diffraction studies, the formation of gallide phases at the Ru/Au/n-GaN interface could be the reason for the improvement of electrical characteristics upon annealing at elevated temperatures

  10. Properties of Merger Shocks in Merging Galaxy Clusters

    Science.gov (United States)

    Ha, Ji-Hoon; Ryu, Dongsu; Kang, Hyesung

    2018-04-01

    X-ray shocks and radio relics detected in the cluster outskirts are commonly interpreted as shocks induced by mergers of subclumps. We study the properties of merger shocks in merging galaxy clusters, using a set of cosmological simulations for the large-scale structure formation of the universe. As a representative case, we focus on the simulated clusters that undergo almost head-on collisions with mass ratio ∼2. Due to the turbulent nature of the intracluster medium, shock surfaces are not smooth, but composed of shocks with different Mach numbers. As the merger shocks expand outward from the core to the outskirts, the average Mach number, , increases in time. We suggest that the shocks propagating along the merger axis could be manifested as X-ray shocks and/or radio relics. The kinetic energy through the shocks, F ϕ , peaks at ∼1 Gyr after their initial launching, or at ∼1–2 Mpc from the core. Because of the Mach number dependent model adopted here for the cosmic-ray (CR) acceleration efficiency, their CR-energy-weighted Mach number is higher with }CR}∼ 3{--}4, compared to the kinetic-energy-weighted Mach number, }φ ∼ 2{--}3. Most energetic shocks are to be found ahead of the lighter dark matter (DM) clump, while the heavier DM clump is located on the opposite side of clusters. Although our study is limited to the merger case considered, the results such as the means and variations of shock properties and their time evolution could be compared with the observed characteristics of merger shocks, constraining interpretations of relevant observations.

  11. Carbon dot-Au(i)Ag(0) assembly for the construction of an artificial light harvesting system.

    Science.gov (United States)

    Jana, Jayasmita; Aditya, Teresa; Pal, Tarasankar

    2018-03-06

    Artificial light harvesting systems (LHS) with inorganic counterparts are considered to be robust as well as mechanistically simple, where the system follows the donor-acceptor principle with an unchanged structural pattern. Plasmonic gold or silver nanoparticles are mostly chosen as inorganic counterparts to design artificial LHS. To capitalize on its electron accepting capability, Au(i) has been considered in this work for the synergistic stabilization of a system with intriguingly fluorescing silver(0) clusters produced in situ. Thus a stable fluorescent Au(i)Ag(0) assembly is generated with electron accepting capabilities. On the other hand, carbon dots have evolved as new fluorescent probes due to their unique physicochemical properties. Utilizing the simple electronic behavior of carbon dots, an electronic interaction between the fluorescent Au(i)Ag(0) and a carbon dot has been investigated for the construction of a new artificial light harvesting system. This coinage metal assembly allows surface energy transfer where it acts as an acceptor, while the carbon dot behaves as a good donor. The energy transfer efficiency has been calculated experimentally to be significant (81.3%) and the Au(i)Ag(0)-carbon dot assembly paves the way for efficient artificial LHS.

  12. Tensile Creep Properties of the 50Au-50Cu Braze Alloy

    International Nuclear Information System (INIS)

    Stephens, J.J.

    1999-01-01

    The 50Au-50CU (wt.%) alloy is a solid-solution strengthened braze alloy used extensively in conventional, hermetic metal/ceramic brazing applications where low vapor pressure is a requirement. Typical metal/ceramic base materials would be Kovar TM alloy and metallized and Ni-plated 94% alumina ceramic. The elevated temperature mechanical properties are important for permitting FEA evaluation of residual stresses in metal/ceramic brazes given specific geometries and braze cooldown profiles. For material with an atomic composition of 76.084 at.% CL 23.916 Au (i.e., on the Cu-rich side of Cu 3 Au) that was annealed for 2 hr. at 750 ampersand deg;C and water quenched a Garofalo sinh equation was found to adequately characterize the minimum strain rate data over the temperature mnge 450-850 ampersand deg;C. At lower temperatures (250 arid 350 ampersand deg;C), a conventional power law equation was found to characterize the data. For samples held long periods of time at 375 ampersand deg;C (96 hrs.) and slowly cooled to room temperature, a slight strengthening reaction was observed: with the stress necessary to reach the same strain rate increasing by about 15% above the baseline annealed and quenched data. X-ray diffiction indicates that the 96 hr at 375 ampersand deg;C + slow cool condition does indeed order. The microhardness of the ordered samples indicates a value of 94.5 VHN, compared to 93.7 VHN for the baseline annealed and quenched (disordered FCC) samples. From a brazing perspective, the relative sluggishness of this ordering reaction does not appear to pose a problem for braze joints cooled at reasonable rates following brazing

  13. Impact of slow gold clusters on various solids

    International Nuclear Information System (INIS)

    Benguerba, M.; Brunelle, A.; Della-Negra, S.; Depauw, J.; Joret, H.; Beyec, Y. Le; Schweikert, E.A.; Assayag, G.B.; Sudraud, P.

    1991-01-01

    A liquid metal ion source has been installed on a pulsed ion gun. The time of flight (TOF) spectra of the pulsed beam were recorded. With the gold source several cluster ions (up to 10 atoms in the cluster) and doubly charged ions were identified in the ion beam TOF spectra. With a second pulsation, single cluster ions can be selected as projectiles for secondary ion TOF mass spectrometry. The secondary ion emission induced by cluster impact from a variety of targets (organic, CsI, metallic) was studied. A large enhancement of yield is observed by comparison to single atomic ion impact (e.g., a factor of 30 between Au 3 + and Au + ). The secondary ion yields increase nonlinearly with the number of constituents in the cluster. A comparison with other types of clusters and also fission fragments of 252 Cf has been performed. The rate of secondary emission stimulated by cluster is similar to the secondary ion yield induced by fission fragments. (author) 47 refs., 18 figs., 5 tabs

  14. Fabrication and characterizations of ZnO nanorods/Au nanoparticle composites on the electropolished Ti substrate

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Hsiang, E-mail: hchen@ncnu.edu.tw [National Chi Nan University, No.1, Daxue Rd., Puli Township, Nantou County 545, Taiwan, ROC (China); Yeh, Yih-Min [WuFeng University, No. 117, Sec 2, Chiankuo Rd, Minhsiung, Chiayi County 62153, Taiwan, ROC (China); Chen, Jian-Zhi [National Chi Nan University, No.1, Daxue Rd., Puli Township, Nantou County 545, Taiwan, ROC (China); Liu, Song-Ming [WuFeng University, No. 117, Sec 2, Chiankuo Rd, Minhsiung, Chiayi County 62153, Taiwan, ROC (China); Huang, Bo Yun; Wu, Zhi-Huei; Tsai, Shaung-Lin; Chang, Hung-Wei; Chu, Yu-Cheng; Liao, Chuan Hao [National Chi Nan University, No.1, Daxue Rd., Puli Township, Nantou County 545, Taiwan, ROC (China)

    2013-12-31

    Au nanoparticles (NPs) were spread on ZnO nanorods (NRs) on the polished Ti substrate to form Au/ZnO nanocomposites. Multiple material analyses including field emission scanning electron microscopy (FESEM), energy dispersive spectroscopy (EDS), X-ray diffraction (XRD) analyses, Fourier-transform infrared spectrometer (FTIR) and images taken by optical microscope were performed on Au NPs of 2 nm and 20 nm on ZnO NRs. The FESEM and optical images under optical microscope indicate that 20 nm NPs can form more and larger clusters than 2 nm NPs on ZnO nanorod. Furthermore, more Au can be detected by EDS and XRD. We studied the behaviors of Au NPs on ZnO NR applications for future potential biosensing and antiseptic devices. - Highlights: • Nanocomposites of Au nanoparticles were spread on ZnO nanorods on Ti substrate. • Multiple material analyses were performed on 2 nm and 20 nm nanoparticles. • 20 nm nanoparticles formed more and larger clusters. • Optical images show well-distributed nanoparticle ZnO nanorods.

  15. Ab initio random structure search for 13-atom clusters of fcc elements

    International Nuclear Information System (INIS)

    Chou, J P; Hsing, C R; Wei, C M; Cheng, C; Chang, C M

    2013-01-01

    The 13-atom metal clusters of fcc elements (Al, Rh, Ir, Ni, Pd, Pt, Cu, Ag, Au) were studied by density functional theory calculations. The global minima were searched for by the ab initio random structure searching method. In addition to some new lowest-energy structures for Pd 13 and Au 13 , we found that the effective coordination numbers of the lowest-energy clusters would increase with the ratio of the dimer-to-bulk bond length. This correlation, together with the electronic structures of the lowest-energy clusters, divides the 13-atom clusters of these fcc elements into two groups (except for Au 13 , which prefers a two-dimensional structure due to the relativistic effect). Compact-like clusters that are composed exclusively of triangular motifs are preferred for elements without d-electrons (Al) or with (nearly) filled d-band electrons (Ni, Pd, Cu, Ag). Non-compact clusters composed mainly of square motifs connected by some triangular motifs (Rh, Ir, Pt) are favored for elements with unfilled d-band electrons. (paper)

  16. Structural, electronic and magnetic properties of small bimetallic zirconium–palladium clusters: Ab initio study

    International Nuclear Information System (INIS)

    Bezi Javan, Masoud

    2015-01-01

    Highlights: • Electronic and magnetic properties of small Zr n Pd m (n + m ⩽ 5) have been investigated. • Binding energies of the Zr n clusters are significantly higher than Pd n clusters. • Binding energy of the Pd n clusters increase with substituting one or more Zr atom. • HOMO–LUMO gap of the Zr n Pd m clusters increase in comparison with pure states. - Abstract: Structural, electronic and magnetic properties of small bimetallic zirconium–palladium clusters, Zr n Pd m (n + m ⩽ 5), have been investigated using density functional theory with considering generalized gradient approximation and PBE functional. We have determined the ground state conformations of the bimetallic zirconium–palladium clusters by substitution of Zr and Pd atoms in the optimized lowest energy structures of pure zirconium and palladium clusters. Results reveal that binding energies of the pure Zr n clusters are significantly higher than Pd n clusters with the same number of atoms. Also it is found that binding energy of the Zr n and Pd n clusters increase with growth of the number of consisting atoms in the clusters. Results indicate that, for both Zr n and Pd n clusters the binding energy of planar forms is lower than three-dimensional structures. We have also found that the binding energy of the Pd n clusters increase with substituting one or more Zr atoms in these clusters. We have also studied the HOMO–LUMO energy gap and magnetic moment of the pure and combined Zr and Pd clusters. The energy gap analysis of the pure and combined Pd and Zr clusters show that in generally the HOMO–LUMO gap of the bimetallic Zr n Pd m clusters increase in comparison with their corresponding pure clusters with the same number of atoms. According to the spin polarization DFT calculations all of the Zr n Pd m (n + m ⩽ 5) have net magnetic moments as instance the Zr 2 , Pd 2 and ZrPd clusters show a total magnetic moment value of 2 μ B . Some more discussions around charge population

  17. pH-Induced transformation of ligated Au25 to brighter Au23 nanoclusters.

    Science.gov (United States)

    Waszkielewicz, Magdalena; Olesiak-Banska, Joanna; Comby-Zerbino, Clothilde; Bertorelle, Franck; Dagany, Xavier; Bansal, Ashu K; Sajjad, Muhammad T; Samuel, Ifor D W; Sanader, Zeljka; Rozycka, Miroslawa; Wojtas, Magdalena; Matczyszyn, Katarzyna; Bonacic-Koutecky, Vlasta; Antoine, Rodolphe; Ozyhar, Andrzej; Samoc, Marek

    2018-05-01

    Thiolate-protected gold nanoclusters have recently attracted considerable attention due to their size-dependent luminescence characterized by a long lifetime and large Stokes shift. However, the optimization of nanocluster properties such as the luminescence quantum yield is still a challenge. We report here the transformation of Au25Capt18 (Capt labels captopril) nanoclusters occurring at low pH and yielding a product with a much increased luminescence quantum yield which we have identified as Au23Capt17. We applied a simple method of treatment with HCl to accomplish this transformation and we characterized the absorption and emission of the newly created ligated nanoclusters as well as their morphology. Based on DFT calculations we show which Au nanocluster size transformations can lead to highly luminescent species such as Au23Capt17.

  18. Properties of plasmonic arrays produced by pulsed-laser nanostructuring of thin Au films

    Directory of Open Access Journals (Sweden)

    Katarzyna Grochowska

    2014-11-01

    Full Text Available A brief description of research advances in the area of short-pulse-laser nanostructuring of thin Au films is followed by examples of experimental data and a discussion of our results on the characterization of structural and optical properties of gold nanostructures. These consist of partially spherical or spheroidal nanoparticles (NPs which have a size distribution (80 ± 42 nm and self-organization characterized by a short-distance order (length scale ≈140 nm. For the NP shapes produced, an observably broader tuning range (of about 150 nm of the surface plasmon resonance (SPR band is obtained by renewal thin film deposition and laser annealing of the NP array. Despite the broadened SPR bands, which indicate damping confirmed by short dephasing times not exceeding 4 fs, the self-organized Au NP structures reveal quite a strong enhancement of the optical signal. This was consistent with the near-field modeling and micro-Raman measurements as well as a test of the electrochemical sensing capability.

  19. Effects of pressure, temperature and atomic exchanges on phase separation dynamics in Au/Ni(111) surface alloy: Kinetic Monte Carlo study

    Energy Technology Data Exchange (ETDEWEB)

    Zvejnieks, G. [Institute for Solid State Physics, University of Latvia, Kengaraga 8, LV-1063 Riga (Latvia); Ibenskas, A., E-mail: ibenskas@pfi.lt [Center for Physical Sciences and Technology, Semiconductor Physics Institute, Gostauto 11, LT-01108 Vilnius (Lithuania); Tornau, E.E. [Center for Physical Sciences and Technology, Semiconductor Physics Institute, Gostauto 11, LT-01108 Vilnius (Lithuania)

    2015-11-15

    Instability of the Au/Ni(111) surface alloy is studied in different CO gas pressure, p, and temperature limits using kinetic Monte Carlo simulations. We analyze the reaction front dynamics and formation of Au clusters using the model which takes into account surface adatom pair and three-body interactions, CO adsorption and desorption, catalytic carbonyl formation reaction, Au and Ni adatom diffusion and their concerted exchange. Variation of interaction parameters allows us to identify three possible reaction front propagation limits with different pressure dependencies: (i) slow channel-like flow in agreement with experimental data [1] (step flow rate, R, increases with p), (ii) intermediate regime (weak p–dependence), and (iii) fast homogeneous flow (R decreases with p). We find that only Au–Ni exchange, contrary to both Ni–CO and Au–CO exchanges, significantly reduces the number of screened Ni atoms inside the Au clusters and stimulates the occurrence of Ni-free Au clusters. The size of Au islands depends on both pressure and temperature. At a fixed temperature it decreases with pressure due to an increased step flow rate. In the high temperature limit, despite the step flow rate exponential increase with temperature, the cluster size increases due to an enhanced Au mobility. - Highlights: • Kinetic Monte Carlo study of Au–Ni surface alloy instability to CO pressure and temperature. • Three reaction front propagation regimes. • In channel-like regime, the step flow rate increases with CO pressure as in experiment. • Ni-free Au islands are obtained when Au-Ni adatom exchange mechanism is considered. • The size of Au islands decreases with pressure and increases with temperature.

  20. Effects of pressure, temperature and atomic exchanges on phase separation dynamics in Au/Ni(111) surface alloy: Kinetic Monte Carlo study

    International Nuclear Information System (INIS)

    Zvejnieks, G.; Ibenskas, A.; Tornau, E.E.

    2015-01-01

    Instability of the Au/Ni(111) surface alloy is studied in different CO gas pressure, p, and temperature limits using kinetic Monte Carlo simulations. We analyze the reaction front dynamics and formation of Au clusters using the model which takes into account surface adatom pair and three-body interactions, CO adsorption and desorption, catalytic carbonyl formation reaction, Au and Ni adatom diffusion and their concerted exchange. Variation of interaction parameters allows us to identify three possible reaction front propagation limits with different pressure dependencies: (i) slow channel-like flow in agreement with experimental data [1] (step flow rate, R, increases with p), (ii) intermediate regime (weak p–dependence), and (iii) fast homogeneous flow (R decreases with p). We find that only Au–Ni exchange, contrary to both Ni–CO and Au–CO exchanges, significantly reduces the number of screened Ni atoms inside the Au clusters and stimulates the occurrence of Ni-free Au clusters. The size of Au islands depends on both pressure and temperature. At a fixed temperature it decreases with pressure due to an increased step flow rate. In the high temperature limit, despite the step flow rate exponential increase with temperature, the cluster size increases due to an enhanced Au mobility. - Highlights: • Kinetic Monte Carlo study of Au–Ni surface alloy instability to CO pressure and temperature. • Three reaction front propagation regimes. • In channel-like regime, the step flow rate increases with CO pressure as in experiment. • Ni-free Au islands are obtained when Au-Ni adatom exchange mechanism is considered. • The size of Au islands decreases with pressure and increases with temperature

  1. Brightest Cluster Galaxies in REXCESS Clusters

    Science.gov (United States)

    Haarsma, Deborah B.; Leisman, L.; Bruch, S.; Donahue, M.

    2009-01-01

    Most galaxy clusters contain a Brightest Cluster Galaxy (BCG) which is larger than the other cluster ellipticals and has a more extended profile. In the hierarchical model, the BCG forms through many galaxy mergers in the crowded center of the cluster, and thus its properties give insight into the assembly of the cluster as a whole. In this project, we are working with the Representative XMM-Newton Cluster Structure Survey (REXCESS) team (Boehringer et al 2007) to study BCGs in 33 X-ray luminous galaxy clusters, 0.055 < z < 0.183. We are imaging the BCGs in R band at the Southern Observatory for Astrophysical Research (SOAR) in Chile. In this poster, we discuss our methods and give preliminary measurements of the BCG magnitudes, morphology, and stellar mass. We compare these BCG properties with the properties of their host clusters, particularly of the X-ray emitting gas.

  2. Properties and origin of the old, metal rich, star cluster, NGC 6791

    OpenAIRE

    Carraro, Giovanni

    2013-01-01

    In this contribution I summarize the unique properties of the old, metal rich, star cluster NGC 6791, with particular emphasis on its population of extreme blue horizontal branch stars. I then conclude providing my personal view on the origin of this fascinating star cluster.

  3. Properties of ordered titanium templates covered with Au thin films for SERS applications

    Energy Technology Data Exchange (ETDEWEB)

    Grochowska, Katarzyna, E-mail: kgrochowska@imp.gda.pl [Centre for Plasma and Laser Engineering, Szewalski Institute of Fluid-Flow Machinery, Polish Academy of Sciences, Fiszera 14 St., 80-231 Gdańsk (Poland); Siuzdak, Katarzyna [Centre for Plasma and Laser Engineering, Szewalski Institute of Fluid-Flow Machinery, Polish Academy of Sciences, Fiszera 14 St., 80-231 Gdańsk (Poland); Sokołowski, Michał; Karczewski, Jakub [Faculty of Applied Physics and Mathematics, Gdańsk University of Technology, Narutowicza 11/12 St., 80-233 Gdańsk (Poland); Szkoda, Mariusz [Centre for Plasma and Laser Engineering, Szewalski Institute of Fluid-Flow Machinery, Polish Academy of Sciences, Fiszera 14 St., 80-231 Gdańsk (Poland); Faculty of Chemistry, Gdańsk University of Technology, Narutowicza 11/12 St., 80-233 Gdańsk (Poland); Śliwiński, Gerard [Centre for Plasma and Laser Engineering, Szewalski Institute of Fluid-Flow Machinery, Polish Academy of Sciences, Fiszera 14 St., 80-231 Gdańsk (Poland)

    2016-12-01

    Graphical abstract: - Highlights: • Dimpled Ti substrates prepared via anodization followed by etching. • Highly ordered nano-patterned titanium templates covered with thin Au films. • Enhanced Raman signal indicates on promising sensing material. - Abstract: Currently, roughened metal nanostructures are widely studied as highly sensitive Raman scattering substrates that show application potential in biochemistry, food safety or medical diagnostic. In this work the structural properties and the enhancement effect due to surface enhanced Raman scattering (SERS) of highly ordered nano-patterned titanium templates covered with thin (5–20 nm) gold films are reported. The templates are formed by preparation of a dense structure of TiO{sub 2} nanotubes on a flat Ti surface (2 × 2 cm{sup 2}) and their subsequent etching down to the substrate. SEM images reveal the formation of honeycomb nanostructures with the cavity diameter of 80 nm. Due to the strongly inhomogeneous distribution of the electromagnetic field in the vicinity of the Au film discontinuities the measured average enhancement factor (10{sup 7}–10{sup 8}) is markedly higher than observed for bare Ti templates. The enhancement factor and Raman signal intensity can be optimized by adjusting the process conditions and thickness of the deposited Au layer. Results confirm that the obtained structures can be used in surface enhanced sensing.

  4. Nanopore formation on Au coated pyramid under electron beam irradiations (plasmonic nanopore on pyramid

    Directory of Open Access Journals (Sweden)

    Seong Soo Choi

    2016-03-01

    Full Text Available There have been tremendous interests about the single molecule analysis using a sold-state nanopore. The solid-state nanopore can be fabricated either by drilling technique, or diffusion technique by using electron beam irradiations. The solid-state SiN nanopore device with electrical detection technique recently fabricated, however, the solid-state Au nanopore with optical detection technique can be better utilized as the next generation single molecule sensor. In this report, the nanometer size openings with its size less than 10 nm on the diffused membrane on the 200 nm Au pyramid were fabricated by using field emission scanning electron microscopy (FESEM electron beam irradiations, transmission electron microscopy (TEM, etc. After the sample was being kept under a room environment for several months, several Au (111 clusters with ~6 nm diameter formed via Ostwald ripening are observed using a high resolution TEM imaging. The nanopore with Au nanoclusters on the diffused membrane can be utilized as an optical nanopore device. Keywords: Electron beam irradiation, Surface diffusion, Carbon contamination, Au cluster, Ostwald ripening

  5. Solvent effects on the adsorption and self-organization of Mn12 on Au(111).

    Science.gov (United States)

    Pineider, Francesco; Mannini, Matteo; Sessoli, Roberta; Caneschi, Andrea; Barreca, Davide; Armelao, Lidia; Cornia, Andrea; Tondello, Eugenio; Gatteschi, Dante

    2007-11-06

    A sulfur-containing single molecule magnet, [Mn12O12(O2CC6H4SCH3)16(H2O)4], was assembled from solution on a Au(111) surface affording both submonolayer and monolayer coverages. The adsorbate morphology and the degree of coverage were inspected by scanning tunneling microscopy (STM), while X-ray photoelectron spectroscopy (XPS) allowed the determination of the chemical nature of the adsorbate on a qualitative and quantitative basis. The properties of the adsorbates were found to be strongly dependent on the solvent used to dissolve the magnetic complex. In particular, systems prepared from tetrahydrofuran solutions gave arrays of isolated and partially ordered clusters on the gold substrate, while samples prepared from dichloromethane exhibited a homogeneous monolayer coverage of the whole Au(111) surface. These findings are relevant to the optimization of magnetic addressing of single molecule magnets on surfaces.

  6. Star formation properties of galaxy cluster A1767

    International Nuclear Information System (INIS)

    Yan, Peng-Fei; Li, Feng; Yuan, Qi-Rong

    2015-01-01

    Abell 1767 is a dynamically relaxed, cD cluster of galaxies with a redshift of 0.0703. Among 250 spectroscopically confirmed member galaxies within a projected radius of 2.5r 200 , 243 galaxies (∼ 97%) are spectroscopically covered by the Sloan Digital Sky Survey. Based on this homogeneous spectral sample, the stellar evolutionary synthesis code STARLIGHT is applied to investigate the stellar populations and star formation histories of galaxies in this cluster. The star formation properties of galaxies, such as mean stellar ages, metallicities, stellar masses, and star formation rates, are presented as functions of local galaxy density. A strong environmental effect is found such that massive galaxies in the high-density core region of the cluster tend to have higher metallicities, older mean stellar ages, and lower specific star formation rates (SSFRs), and their recent star formation activities have been remarkably suppressed. In addition, the correlations of the metallicity and SSFR with stellar mass are confirmed. (paper)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-11-15

    The Na-rich part (∼30% Na) of the Na–Au–Ga system between NaAu{sub 2}, NaGa{sub 4}, and Na{sub 22}Ga{sub 39} has been found to contain the ternary phases Na{sub 8}Au{sub 9.8(4)}Ga{sub 7.2} (I) and Na{sub 17}Au{sub 5.87(2)}Ga{sub 46.63} (II), according to the results of single crystal X-ray diffraction measurements. I is orthorhombic, Cmcm, a=5.3040(1), b=24.519(5), c=14.573(3) Å, and contains a network of clusters with local 5-fold symmetry along the a-axis. Such clusters are frequent building units in decagonal quasicrystals and their approximants. II is rhombohedral, R3{sup ¯}m, a=16.325(2), c=35.242(7) Å, and contains building blocks that are structurally identical to the Bergman-type clusters as well as fused icosahedral units known with active metals, triels and late transition elements. II also contains a polycationic network with elements of the clathrate V type structure. Tight-binding electronic structure calculations using linear muffin–tin-orbital (LMTO) methods on idealized models of I and II indicate that both compounds are metallic with evident pseudogaps at the corresponding Fermi levels. The overall Hamilton bond populations are generally dominated by Au–Ga and Au–Au bonds in I and by Ga–Ga bonds in II; moreover, the Na–Au and Na–Ga contributions in I are unexpectedly large, ∼20% of the total. A similar involvement of sodium in covalent bonding has also been found in the electron-richer i-Na{sub 13}Au{sub 12}Ga{sub 15} quasicrystal approximant. - Graphical abstract: Multiply-endohedral Bergman-related clusters in the structure of Na{sub 17}Au{sub 5.9(1)}Ga{sub 46.6.} Display Omitted - Highlights: • Two new compounds with the local 5-fold symmetry have been investigated. • Na{sub 8}Au{sub 9.8(4)}Ga{sub 7.2} is an orthorhombic approximant of the Na{sub 13}Au{sub 12}Ga{sub 15} quasicrystal. • Na{sub 17}Au{sub 5.87(2)}Ga{sub 46.63} represents a rhombohedral distortion of the Bergman-type phases.

  8. Spectroscopically forbidden infra-red emission in Au-vertical graphene hybrid nanostructures

    Science.gov (United States)

    Sivadasan, A. K.; Parida, Santanu; Ghosh, Subrata; Pandian, Ramanathaswamy; Dhara, Sandip

    2017-11-01

    Implementation of Au nanoparticles (NPs) is a subject for frontier plasmonic research due to its fascinating optical properties. Herein, the present study deals with plasmonic assisted emission properties of Au NPs-vertical graphene (VG) hybrid nanostructures. The influence of effective polarizability of Au NPs on the surface enhanced Raman scattering and luminescence properties is investigated. In addition, a remarkable infra-red emission in the hybrid nanostructures is observed and interpreted on the basis of intra-band transitions in Au NPs. The flake-like nanoporous VG structure is invoked for the generation of additional confined photons to impart additional momentum and a gradient of confined excitation energy towards initiating the intra-band transitions of Au NPs. Integrating Au plasmonic materials in three-dimensional VG nanostructures enhances the light-matter interactions. The present study provides a new adaptable plasmonic assisted pathway for optoelectronic and sensing applications.

  9. Tuning SPT-3G Transition-Edge-Sensor Electrical Properties with a Four-Layer Ti-Au-Ti-Au Thin-Film Stack

    Science.gov (United States)

    Carter, F. W.; Ade, P. A. R.; Ahmed, Z.; Anderson, A. J.; Austermann, J. E.; Avva, J. S.; Thakur, R. Basu; Bender, A. N.; Benson, B. A.; Carlstrom, J. E.; Cecil, T.; Chang, C. L.; Cliche, J. F.; Cukierman, A.; Denison, E. V.; de Haan, T.; Ding, J.; Divan, R.; Dobbs, M. A.; Dutcher, D.; Everett, W.; Foster, A.; Gannon, R. N.; Gilbert, A.; Groh, J. C.; Halverson, N. W.; Harke-Hosemann, A. H.; Harrington, N. L.; Henning, J. W.; Hilton, G. C.; Holzapfel, W. L.; Huang, N.; Irwin, K. D.; Jeong, O. B.; Jonas, M.; Khaire, T.; Kofman, A. M.; Korman, M.; Kubik, D.; Kuhlmann, S.; Kuo, C. L.; Kutepova, V.; Lee, A. T.; Lowitz, A. E.; Meyer, S. S.; Michalik, D.; Miller, C. S.; Montgomery, J.; Nadolski, A.; Natoli, T.; Nguyen, H.; Noble, G. I.; Novosad, V.; Padin, S.; Pan, Z.; Pearson, J.; Posada, C. M.; Rahlin, A.; Ruhl, J. E.; Saunders, L. J.; Sayre, J. T.; Shirley, I.; Shirokoff, E.; Smecher, G.; Sobrin, J. A.; Stan, L.; Stark, A. A.; Story, K. T.; Suzuki, A.; Tang, Q. Y.; Thompson, K. L.; Tucker, C.; Vale, L. R.; Vanderlinde, K.; Vieira, J. D.; Wang, G.; Whitehorn, N.; Yefremenko, V.; Yoon, K. W.; Young, M. R.

    2018-04-01

    We have developed superconducting Ti transition-edge sensors with Au protection layers on the top and bottom for the South Pole Telescope's third-generation receiver (a cosmic microwave background polarimeter, due to be upgraded this austral summer of 2017/2018). The base Au layer (deposited on a thin Ti glue layer) isolates the Ti from any substrate effects; the top Au layer protects the Ti from oxidation during processing and subsequent use of the sensors. We control the transition temperature and normal resistance of the sensors by varying the sensor width and the relative thicknesses of the Ti and Au layers. The transition temperature is roughly six times more sensitive to the thickness of the base Au layer than to that of the top Au layer. The normal resistance is inversely proportional to sensor width for any given film configuration. For widths greater than five micrometers, the critical temperature is independent of width.

  10. Ferric hydroxide supported gold subnano clusters or quantum dots: enhanced catalytic performance in chemoselective hydrogenation.

    Science.gov (United States)

    Liu, Lequan; Qiao, Botao; Ma, Yubo; Zhang, Juan; Deng, Youquan

    2008-05-21

    An attempt to prepare ferric hydroxide supported Au subnano clusters via modified co-precipitation without any calcination was made. High resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) have been employed to study the structure and chemical states of these catalysts. No Au species could be observed in the HRTEM image nor from the XRD pattern, suggesting that the sizes of the Au species in and on the ferric hydroxide support were less than or around 1 nm. Chemoselective hydrogenation of aromatic nitro compounds and alpha,beta-unsaturated aldehydes was selected as a probe reaction to examine the catalytic properties of this catalyst. Under the same reaction conditions, such as 100 degrees C and 1 MPa H2 in the hydrogenation of aromatic nitro compounds, a 96-99% conversion (except for 4-nitrobenzonitrile) with 99% selectivity was obtained over the ferric hydroxide supported Au catalyst, and the TOF values were 2-6 times higher than that of the corresponding ferric oxide supported catalyst with 3-5 nm size Au particles. For further evaluation of this Au catalyst in the hydrogenation of citral and cinnamaldehyde, selectivity towards unsaturated alcohols was 2-20 times higher than that of the corresponding ferric oxide Au catalyst.

  11. Exotic high activity surface patterns in PtAu nanoclusters

    KAUST Repository

    Mokkath, Junais Habeeb

    2013-05-09

    The structure and chemical ordering of PtAu nanoclusters of 79, 135, and 201 atoms are studied via a combination of a basin hopping atom-exchange technique (to locate the lowest energy homotops at fixed composition), a symmetry orbit technique (to find the high symmetry isomers), and density functional theory local reoptimization (for determining the most stable homotop). The interatomic interactions between Pt and Au are derived from the empirical Gupta potential. The lowest energy structures show a marked tendency toward PtcoreAushell chemical ordering by enrichment of the more cohesive Pt in the core region and of Au in the shell region. We observe a preferential segregation of Pt atoms to (111) facets and Au atoms to (100) facets of the truncated octahedron cluster motif. Exotic surface patterns are obtained particularly for Pt-rich compositions, where Pt atoms are being surrounded by Au atoms. These surface arrangements boost the catalytic activity by creating a large number of active sites. © 2013 American Chemical Society.

  12. Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters

    DEFF Research Database (Denmark)

    Elm, Jonas; Norman, Patrick; Bilde, Merete

    2014-01-01

    The Rayleigh and hyper Rayleigh scattering properties of the binary (H 2SO4)(H2O)n and ternary (H 2SO4)(NH3)(H2O)n clusters are investigated using a quantum mechanical response theory approach. The molecular Rayleigh scattering intensities are expressed using the dipole polarizability α...... and hyperpolarizability β tensors. Using density functional theory, we elucidate the effect of cluster morphology on the scattering properties using a combinatorial sampling approach. We find that the Rayleigh scattering intensity depends quadratically on the number of water molecules in the cluster and that a single...... ammonia molecule is able to induce a high anisotropy, which further increases the scattering intensity. The hyper Rayleigh scattering activities are found to be extremely low. This study presents the first attempt to map the scattering of atmospheric molecular clusters using a bottom-up approach...

  13. Synthesis of Au@Pt bimetallic nanoparticles with concave Au nanocuboids as seeds and their enhanced electrocatalytic properties in the ethanol oxidation reaction

    Science.gov (United States)

    Tan, Lingyu; Li, Lidong; Peng, Yi; Guo, Lin

    2015-12-01

    Herein, a new type of uniform and well-structured Au@Pt bimetallic nanoparticles (BNPs) with highly active concave Au nanocuboids (NCs) as seeds was successfully synthesized by using the classic seed-mediated method. Electrochemical measurements were conducted to demonstrate their greatly enhanced catalytic performance in the ethanol oxidation reaction (EOR). It was found that the electrochemical performance for Au@Pt BNPs with the concave Au NCs as seeds, which were enclosed by {611} high-index facets, could be seven times higher than that of the Au@Pt bimetallic nanoparticles with regular spherical Au NPs as seeds. Furthermore, our findings show that the morphology and electrocatalytic activity of the Au@Pt BNPs can be tuned simply by changing the compositional ratios of the growth solution. The lower the amount of H2PtCl6 used in the growth solution, the thinner the Pt shell grew, and the more high-index facets of concave Au NCs seeds were exposed in Au@Pt BNPs, leading to higher electrochemical activity. These as-prepared concave Au@Pt BNPs will open up new strategies for improving catalytic efficiency and reducing the use of the expensive and scarce resource of platinum in the ethanol oxidation reaction, and are potentially applicable as electrochemical catalysts for direct ethanol fuel cells.

  14. Synthesis of Au@Pt bimetallic nanoparticles with concave Au nanocuboids as seeds and their enhanced electrocatalytic properties in the ethanol oxidation reaction

    International Nuclear Information System (INIS)

    Tan, Lingyu; Li, Lidong; Peng, Yi; Guo, Lin

    2015-01-01

    Herein, a new type of uniform and well-structured Au@Pt bimetallic nanoparticles (BNPs) with highly active concave Au nanocuboids (NCs) as seeds was successfully synthesized by using the classic seed-mediated method. Electrochemical measurements were conducted to demonstrate their greatly enhanced catalytic performance in the ethanol oxidation reaction (EOR). It was found that the electrochemical performance for Au@Pt BNPs with the concave Au NCs as seeds, which were enclosed by {611}high-index facets, could be seven times higher than that of the Au@Pt bimetallic nanoparticles with regular spherical Au NPs as seeds. Furthermore, our findings show that the morphology and electrocatalytic activity of the Au@Pt BNPs can be tuned simply by changing the compositional ratios of the growth solution. The lower the amount of H_2PtCl_6 used in the growth solution, the thinner the Pt shell grew, and the more high-index facets of concave Au NCs seeds were exposed in Au@Pt BNPs, leading to higher electrochemical activity. These as-prepared concave Au@Pt BNPs will open up new strategies for improving catalytic efficiency and reducing the use of the expensive and scarce resource of platinum in the ethanol oxidation reaction, and are potentially applicable as electrochemical catalysts for direct ethanol fuel cells. (paper)

  15. Controllable synthesis and enhanced electrochemical properties of multifunctional Au(core)Co(3)O(4shell) nanocubes.

    Science.gov (United States)

    Hu, Jianqiang; Wen, Zhenhai; Wang, Qiang; Yao, Xin; Zhang, Qian; Zhou, Jianhua; Li, Jinghong

    2006-12-07

    Multifunctional Au(core)Co(3)O(4shell) nanocubes were synthesized through the introduction of chloroauric acid (HAuCl(4)) into a typical hydrothermal system after a solvothermal process was completed to form metastable Co(3)O(4) hollow nanospheres in the presence of sodium dodecyl benzenesulfonate (SDBS), which served as the surfactant. The strategy suggested that HAuCl(4) played a vital role in the shape transformation and core/shell structure formation, and the sizes of the nanocubes can be tunable through control of the acid concentration. The core/shell structure of the nanocubes was demonstrated by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and element analysis (EA) measurements. Moreover, Li ion battery measurement indicated that trace Au intercalation altered not only the size and shape of the Co(3)O(4) nanoparticles but also greatly increased their electrochemical properties. These multifunctional nanocubes will be not only helpful to study physical chemistry properties of magnetic nanocrystals but also are expected to find use in many fields such as biomolecular detection and analysis, sensor, electrochemistry, and Li ion batteries.

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

    Directory of Open Access Journals (Sweden)

    Su Ding

    2015-05-01

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

  17. Deformation properties of even-even Os, Pt, Hg nuclei and spectroscopic properties of odd Re, Os, Ir, Pt, Au, Hg nuclei from self-consistent calculations

    CERN Document Server

    Desthuilliers-Porquet, M G; Quentin, P; Sauvage-Letessier, J

    1981-01-01

    Static properties of even-even Os, Pt, Hg nuclei have been obtained from HF+BCS calculations. Single-particle wave functions which come from these self-consistent calculations have been used to calculate some spectroscopic properties of odd Re, Os, Ir, Pt, Au, and Hg nuclei, within the rotor-quasiparticle coupling model. The authors' calculations are able to give a good description of most of available experimental data. (12 refs).

  18. (Electronic structure and reactivities of transition metal clusters)

    Energy Technology Data Exchange (ETDEWEB)

    1992-01-01

    The following are reported: theoretical calculations (configuration interaction, relativistic effective core potentials, polyatomics, CASSCF); proposed theoretical studies (clusters of Cu, Ag, Au, Ni, Pt, Pd, Rh, Ir, Os, Ru; transition metal cluster ions; transition metal carbide clusters; bimetallic mixed transition metal clusters); reactivity studies on transition metal clusters (reactivity with H{sub 2}, C{sub 2}H{sub 4}, hydrocarbons; NO and CO chemisorption on surfaces). Computer facilities and codes to be used, are described. 192 refs, 13 figs.

  19. Silver Clusters in Zeolites: From Self-Assembly to Ground-Breaking Luminescent Properties.

    Science.gov (United States)

    Coutiño-Gonzalez, Eduardo; Baekelant, Wouter; Steele, Julian A; Kim, Cheol Woong; Roeffaers, Maarten B J; Hofkens, Johan

    2017-09-19

    Interest for functional silver clusters (Ag-CLs) has rapidly grown over years due to large advances in the field of nanoscale fabrication and materials science. The continuous development of strategies to fabricate small-scale silver clusters, together with their interesting physicochemical properties (molecule-like discrete energy levels, for example), make them very attractive for a wide variety of applied research fields, from biotechnology and the environmental sciences to fundamental chemistry and physics. Apart from useful catalytic properties, silver clusters (Ag n , n counterbalancing ions, silver loading, and zeolite topology, and cannot be overlooked. This Account is intended to shed light on the current state-of-the-art of luminescent Ag-CLs confined in zeolitic matrices, emphasizing the use of combinatorial approaches to overcome problems associated with the correct characterization and correlation of their structural, electronic, and photoluminescence properties, all to establish the important design principles for developing functional silver-zeolite-based materials. Additionally, examples of emerging applications and future perspectives for functional luminescent Ag-zeolite materials are addressed in this Account.

  20. Synthesis and optical properties of Au decorated colloidal tungsten oxide nanoparticles

    International Nuclear Information System (INIS)

    Tahmasebi, Nemat; Mahdavi, Seyed Mohammad

    2015-01-01

    Highlights: • Tungsten oxide nanoparticles were prepared by pulsed laser ablation (PLA). • A very fine metallic Au particles or coating are decorated on the surface of tungsten oxide nanoparticles. • UV–Vis spectroscopy shows an absorption peak at ∼530 nm which is due to SPR effect of gold. • After exposing to hydrogen gas, Au/WO_3 colloidal nanoparticles show excellent gasochromic coloring. - Abstract: In this study, colloidal tungsten oxide nanoparticles were fabricated by pulsed laser ablation of tungsten target using the first harmonic of a Nd:YAG laser (1064 nm) in deionized water. After ablation, a 0.33 g/lit HAuCl_4 aqueous solution was added into as-prepared colloidal nanoparticles. In this process, Au"3"+ ions were reduced to decorate gold metallic state (Au"0) onto colloidal tungsten oxide nanoparticles surface. The morphology and chemical composition of the synthesized nanoparticles were studied by AFM, XRD, TEM and XPS techniques. UV–Vis analysis reveals a distinct absorption peak at ∼530 nm. This peak can be attributed to the surface plasmon resonance (SPR) of Au and confirms formation of gold state. Moreover, X-ray photoelectron spectroscopy reveals that Au ions’ reduction happens after adding HAuCl_4 solution into as-prepared colloidal tungsten oxide nanoparticles. Transmission electron microscope shows that an Au shell has been decorated onto colloidal WO_3 nanoparticles. Noble metal decorated tungsten oxide nanostructure could be an excellent candidate for photocatalysis, gas sensing and gasochromic applications. Finally, the gasochromic behavior of the synthesized samples was investigated by H_2 and O_2 gases bubbling into the produced colloidal Au/WO_3 nanoparticles. Synthesized colloidal nanoparticles show excellent coloration contrast (∼80%) through NIR spectra.

  1. Near-infrared-responsive, superparamagnetic Au@Co nanochains

    Directory of Open Access Journals (Sweden)

    Varadee Vittur

    2017-08-01

    Full Text Available This manuscript describes a new type of nanomaterial, namely superparamagnetic Au@Co nanochains with optical extinctions in the near infrared (NIR. The Au@Co nanochains were synthesized via a one-pot galvanic replacement route involving a redox-transmetalation process in aqueous medium, where Au salt was reduced to form Au shells on Co seed templates, affording hollow Au@Co nanochains. The Au shells serve not only as a protective coating for the Co nanochain cores, but also to give rise to the optical properties of these unique nanostructures. Importantly, these bifunctional, magneto-optical Au@Co nanochains combine the advantages of nanophotonics (extinction at ca. 900 nm and nanomagnetism (superparamagnetism and provide a potentially useful new nanoarchitecture for biomedical or catalytic applications that can benefit from both activation by light and manipulation using an external magnetic field.

  2. Controlled synthesis of 2D Au nanostructure assembly with the assistance of sulfonated polyaniline nanotubes

    International Nuclear Information System (INIS)

    Yuan Junhua; Wang Zhijuan; Zhang Qixian; Han, Dongxue; Zhang Yuanjian; Shen Yanfei; Niu Li

    2006-01-01

    A wet chemical approach is used successfully to produce nanostructured Au material by the reduction of sulfonated polyaniline (SPANI) nanotubes. The Au nanostructures obtained are composed of single crystal Au nanoplates, which are aggregated layer-by-layer into stacks or edge-on-face into clusters at various conditions. The Au nanoplate diameter and thickness can be conveniently controlled in the range of 100 nm to 2 μm and 10 to 30 nm, respectively, with no accompanying single Au nanoparticles being observed. The formation of the Au nanostructures was controlled by the degradation of SPANI. The gradually and slowly released segments of SPANI served as the reductant during the growth of the 2D Au nanostructures

  3. Is stellar multiplicity universal? Tight stellar binaries in the Orion Nebula Cluster

    Science.gov (United States)

    Duchêne, Gaspard; Lacour, S.; Moraux, E.; Goodwin, S.; Bouvier, J.

    2018-05-01

    We present a survey for the tightest visual binaries among 0.3-2 M⊙ members the Orion Nebula Cluster (ONC). Among 42 targets, we discovered 13 new 0{^''.}025-0{^''.}15 companions. Accounting for the Branch bias, we find a companion star fraction (CSF) in the 10-60 au range of 21^{+8}_{-5}%, consistent with that observed in other star-forming regions (SFRs) and twice as high as among field stars; this excess is found with a high level of confidence. Since our sample is dominated by disk-bearing targets, this indicates that disk disruption by close binaries is inefficient, or has not yet taken place, in the ONC. The resulting separation distribution in the ONC drops sharply outside 60 au. These findings are consistent with a scenario in which the initial multiplicity properties, set by the star formation process itself, are identical in the ONC and in other SFRs and subsequently altered by the cluster's dynamical evolution. This implies that the fragmentation process does not depend on the global properties of a molecular cloud, but on the local properties of prestellar cores, and that the latter are self-regulated to be nearly identical in a wide range of environments. These results, however, raise anew the question of the origin of field stars as the tight binaries we have discovered will not be destroyed as the ONC dissolves into the galactic field. It thus appears that most field stars formed in regions that differ from well-studied SFRs in the Solar neighborhood, possibly due to changes in core fragmentation on Gyr timescales.

  4. Exotic high activity surface patterns in PtAu nanoclusters

    KAUST Repository

    Mokkath, Junais Habeeb; Schwingenschlö gl, Udo

    2013-01-01

    of the truncated octahedron cluster motif. Exotic surface patterns are obtained particularly for Pt-rich compositions, where Pt atoms are being surrounded by Au atoms. These surface arrangements boost the catalytic activity by creating a large number of active

  5. Gold atomic cluster mediated electrochemical aptasensor for the detection of lipopolysaccharide.

    Science.gov (United States)

    Posha, Biyas; Nambiar, Sindhu R; Sandhyarani, N

    2018-03-15

    We have constructed an aptamer immobilized gold atomic cluster mediated, ultrasensitive electrochemical biosensor (Apt/AuAC/Au) for LPS detection without any additional signal amplification strategy. The aptamer self-assemble onto the gold atomic clusters makes Apt/AuAC/Au an excellent platform for the LPS detection. Differential pulse voltammetry and EIS were used for the quantitative LPS detection. The Apt/AuAC/Au sensor offers an ultrasensitive and selective detection of LPS down to 7.94 × 10 -21 M level with a wide dynamic range from 0.01 attomolar to 1pM. The sensor exhibited excellent selectivity and stability. The real sample analysis was performed by spiking the diluted insulin sample with various concentration of LPS and obtained recovery within 2% error value. The sensor is found to be more sensitive than most of the literature reports. The simple and easy way of construction of this sensor provides an efficient and promising detection of an even trace amount of LPS. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. [Electronic and structural properties of individual nanometer-size supported metallic clusters]. Final performance report

    Energy Technology Data Exchange (ETDEWEB)

    Reifenberger, R.

    1993-09-01

    This report summarizes the work performed under contract DOE-FCO2-84ER45162. During the past ten years, our study of electron emission from laser-illuminated field emission tips has taken on a broader scope by addressing problems of direct interest to those concerned with the unique physical and chemical properties of nanometer-size clusters. The work performed has demonstrated that much needed data can be obtained on individual nanometer-size clusters supported on a wide-variety of different substrates. The work was performed in collaboration with R.P. Andres in the School of Chemical Engineering at Purdue University. The Multiple Expansion Cluster Source developed by Andres and his students was essential for producing the nanometer-size clusters studied. The following report features a discussion of these results. This report provides a motivation for studying the properties of nanometer-size clusters and summarizes the results obtained.

  7. Properties of ordered titanium templates covered with Au thin films for SERS applications

    Science.gov (United States)

    Grochowska, Katarzyna; Siuzdak, Katarzyna; Sokołowski, Michał; Karczewski, Jakub; Szkoda, Mariusz; Śliwiński, Gerard

    2016-12-01

    Currently, roughened metal nanostructures are widely studied as highly sensitive Raman scattering substrates that show application potential in biochemistry, food safety or medical diagnostic. In this work the structural properties and the enhancement effect due to surface enhanced Raman scattering (SERS) of highly ordered nano-patterned titanium templates covered with thin (5-20 nm) gold films are reported. The templates are formed by preparation of a dense structure of TiO2 nanotubes on a flat Ti surface (2 × 2 cm2) and their subsequent etching down to the substrate. SEM images reveal the formation of honeycomb nanostructures with the cavity diameter of 80 nm. Due to the strongly inhomogeneous distribution of the electromagnetic field in the vicinity of the Au film discontinuities the measured average enhancement factor (107-108) is markedly higher than observed for bare Ti templates. The enhancement factor and Raman signal intensity can be optimized by adjusting the process conditions and thickness of the deposited Au layer. Results confirm that the obtained structures can be used in surface enhanced sensing.

  8. Young Cluster Berkeley 59: Properties, Evolution, and Star Formation

    Science.gov (United States)

    Panwar, Neelam; Pandey, A. K.; Samal, Manash R.; Battinelli, Paolo; Ogura, K.; Ojha, D. K.; Chen, W. P.; Singh, H. P.

    2018-01-01

    Berkeley 59 is a nearby (∼1 kpc) young cluster associated with the Sh2-171 H II region. We present deep optical observations of the central ∼2.5 × 2.5 pc2 area of the cluster, obtained with the 3.58 m Telescopio Nazionale Galileo. The V/(V–I) color–magnitude diagram manifests a clear pre-main-sequence (PMS) population down to ∼0.2 M ⊙. Using the near-infrared and optical colors of the low-mass PMS members, we derive a global extinction of A V = 4 mag and a mean age of ∼1.8 Myr, respectively, for the cluster. We constructed the initial mass function and found that its global slopes in the mass ranges of 0.2–28 M ⊙ and 0.2–1.5 M ⊙ are ‑1.33 and ‑1.23, respectively, in good agreement with the Salpeter value in the solar neighborhood. We looked for the radial variation of the mass function and found that the slope is flatter in the inner region than in the outer region, indicating mass segregation. The dynamical status of the cluster suggests that the mass segregation is likely primordial. The age distribution of the PMS sources reveals that the younger sources appear to concentrate close to the inner region compared to the outer region of the cluster, a phenomenon possibly linked to the time evolution of star-forming clouds. Within the observed area, we derive a total mass of ∼103 M ⊙ for the cluster. Comparing the properties of Berkeley 59 with other young clusters, we suggest it resembles more closely the Trapezium cluster.

  9. Prediction of Solvent Physical Properties using the Hierarchical Clustering Method

    Science.gov (United States)

    Recently a QSAR (Quantitative Structure Activity Relationship) method, the hierarchical clustering method, was developed to estimate acute toxicity values for large, diverse datasets. This methodology has now been applied to the estimate solvent physical properties including sur...

  10. Structure, reactivity and electronic properties of Mn doped Ni{sub 13} clusters

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, Radhashyam; Datta, Soumendu; Mookerjee, Abhijit, E-mail: abhijit.mookerjee61@gmail.com

    2013-06-15

    In this work we have studied the structural and magnetic properties of Ni{sub 13} cluster mono- and bi-doped with Mn atoms. We have noted their tendency of being reactive toward the H{sub 2} molecule. We have found unusually enhanced stability in the mono-doped cluster (i.e. of the Ni{sub 12}Mn) and the diminished stability of the corresponding chemisorbed cluster, Ni{sub 12}MnH{sub 2}. Our analysis of the stability and HOMO–LUMO gap explains this unusual behavior. Interestingly, we have also seen the quenching in the net magnetic moment upon H{sub 2} absorption in the doped Ni{sub 13−m}Mn{sub m} alloy clusters. This has been reported earlier for smaller Ni{sub n} clusters [1].

  11. Collective flow measurements with HADES in Au+Au collisions at 1.23A GeV

    Science.gov (United States)

    Kardan, Behruz; Hades Collaboration

    2017-11-01

    HADES has a large acceptance combined with a good mass-resolution and therefore allows the study of dielectron and hadron production in heavy-ion collisions with unprecedented precision. With the statistics of seven billion Au-Au collisions at 1.23A GeV recorded in 2012, the investigation of higher-order flow harmonics is possible. At the BEVALAC and SIS18 directed and elliptic flow has been measured for pions, charged kaons, protons, neutrons and fragments, but higher-order harmonics have not yet been studied. They provide additional important information on the properties of the dense hadronic medium produced in heavy-ion collisions. We present here a high-statistics, multidifferential measurement of v1 and v2 for protons in Au+Au collisions at 1.23A GeV.

  12. A grand unified model for liganded gold clusters

    Science.gov (United States)

    Xu, Wen Wu; Zhu, Beien; Zeng, Xiao Cheng; Gao, Yi

    2016-12-01

    A grand unified model (GUM) is developed to achieve fundamental understanding of rich structures of all 71 liganded gold clusters reported to date. Inspired by the quark model by which composite particles (for example, protons and neutrons) are formed by combining three quarks (or flavours), here gold atoms are assigned three `flavours' (namely, bottom, middle and top) to represent three possible valence states. The `composite particles' in GUM are categorized into two groups: variants of triangular elementary block Au3(2e) and tetrahedral elementary block Au4(2e), all satisfying the duet rule (2e) of the valence shell, akin to the octet rule in general chemistry. The elementary blocks, when packed together, form the cores of liganded gold clusters. With the GUM, structures of 71 liganded gold clusters and their growth mechanism can be deciphered altogether. Although GUM is a predictive heuristic and may not be necessarily reflective of the actual electronic structure, several highly stable liganded gold clusters are predicted, thereby offering GUM-guided synthesis of liganded gold clusters by design.

  13. Vacancy clusters at nanoparticle surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Xu, J.; Moxom, J.; Somieski, B.; White, C.W. [Oak Ridge National Lab., TN (United States); Mills, A.P. Jr. [Bell Labs., Lucent Technologies, Murray Hill, NJ (United States); Suzuki, R.; Ishibashi, S. [Electrotechnical Lab., Tsukuba, Ibaraki (Japan); Ueda, A.; Henderson, D. [Physics Dept., Fisk Univ., Nashville, TN (United States)

    2001-07-01

    We detect vacancy clusters at Au nanoparticle surfaces using a combination of positron lifetime spectroscopy, 1- detector, and 2-detector measurements of Doppler broadening of annihilation radiation. Gold nanoparticles are formed by MeV implantation of gold ions into MgO (100) followed by annealing. Clusters of two Mg and two O vacancies (v{sub 4}) are attached to the gold nanoparticle surfaces within the projected range (R{sub p}). (orig.)

  14. Vacancy clusters at nanoparticle surfaces

    International Nuclear Information System (INIS)

    Xu, J.; Moxom, J.; Somieski, B.; White, C.W.; Mills, A.P. Jr.; Suzuki, R.; Ishibashi, S.; Ueda, A.; Henderson, D.

    2001-01-01

    We detect vacancy clusters at Au nanoparticle surfaces using a combination of positron lifetime spectroscopy, 1- detector, and 2-detector measurements of Doppler broadening of annihilation radiation. Gold nanoparticles are formed by MeV implantation of gold ions into MgO (100) followed by annealing. Clusters of two Mg and two O vacancies (v 4 ) are attached to the gold nanoparticle surfaces within the projected range (R p ). (orig.)

  15. Au-nanoparticles grafted on plasma treated PE

    International Nuclear Information System (INIS)

    Svorcik, V.; Chaloupka, A.; Rezanka, P.; Slepicka, P.; Kolska, Z.; Kasalkova, N.; Hubacek, T.; Siegel, J.

    2010-01-01

    Polyethylene (PE) surface was treated with Ar plasma. Activated surface was grafted from methanol solution of 1,2-ethanedithiol. Then the sample was immersed into freshly prepared colloid solution of Au-nanoparticles. Finally Au layer was sputtered on the samples. Properties of the modified PE were studied using various methods: AFM, EPR, RBS and nanoindentation. It was shown that the plasma treatment results in degradation of polymer chain (AFM) and creation of free radicals by EPR. After grafting with dithiol, the concentration of free radicals declines. The presence of Au and S in the surface layer after the coating with Au-nanoparticles was proved by RBS. Plasma treatment changes PE surface morphology and increases surface roughness, too. Another significant change in surface morphology and roughness was observed after deposition of Au-nanoparticles. Nanoindentation measurements show that the grafting with Au-nanoparticles increases adhesion of subsequently sputtered Au layer.

  16. XPS/STM study of model bimetallic Pd–Au/HOPG catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Bukhtiyarov, Andrey V., E-mail: avb@catalysis.ru [Boreskov Institute of Catalysis, Lavrentieva Ave. 5, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, Pirogova str. 2, 630090 Novosibirsk (Russian Federation); Prosvirin, Igor P., E-mail: prosvirin@catalysis.ru [Boreskov Institute of Catalysis, Lavrentieva Ave. 5, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, Pirogova str. 2, 630090 Novosibirsk (Russian Federation); Bukhtiyarov, Valerii I., E-mail: vib@catalysis.ru [Boreskov Institute of Catalysis, Lavrentieva Ave. 5, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, Pirogova str. 2, 630090 Novosibirsk (Russian Federation)

    2016-03-30

    Graphical abstract: - Highlights: • The model Pd–Au/HOPG catalysts preparation has been studied by XPS and STM. • Model “core–shell” type Pd–Au/HOPG catalysts with different Pd/Au ratios were prepared. • Heating of the “core–shell” Pd–Au/HOPG samples up to 400 °C leads to alloy formation. • Contribution of parameters controlling the properties of Pd–Au alloyed particles has been discussed. - Abstract: The preparation of model bimetallic Pd–Au/HOPG catalysts has been investigated using scanning tunneling microscopy (STM) and X-ray photoelectron spectroscopy (XPS) techniques. Initially, model “core–shell” type Pd–Au/HOPG catalysts with similar particle size distribution (5–8 nm), but with different densities of particle locations on the HOPG surface and Pd/Au atomic ratios are prepared. Further, their thermal stability is studied within a temperature range of 50–500 °C at UHV conditions. It has been shown that annealing the model catalysts at a temperature range of 300–400 °C leads to formation of Pd–Au alloyed particles. Enhancement of heating temperature up to 500 °C results in sintering of bimetallic nanoparticles. Contribution of different parameters controlling the properties of Pd–Au alloyed particles has been discussed.

  17. Fluctuations in projectile fragment distributions from 1 GeV/nucleon Au + C multifragmentation

    International Nuclear Information System (INIS)

    Elliott, J.B.; Gilkes, M.L.; Hauger, A.; Hirsch, A.S.

    1993-01-01

    Fluctuations in cluster distributions play an important role in distinguishing critical and non-critical cluster forming phenomena. The magnitude of the reduced variance (γ 2 ) of a cluster distribution is a direct measure of the size of its fluctuations. Preliminary examinations of γ 2 are made for cluster distributions from 1 GeV/nucleon Au+C data obtained in the EOS experiment at the Bevalac. Values of γ 2 are compared to those from percolation and statistical multifragmentation models

  18. Synthesis of nano-Au doped SiO2 aerogels by seeding method

    International Nuclear Information System (INIS)

    Ren Hongbo; Wan Xiaobo; Zhang Lin; Du Aiming; Xiu Peng

    2006-01-01

    A new approach to synthesize gold nano cluster doped aerogel on the basis of surface-catalyzed reduction of metal ions was described. Au nano particles were formed in a silica aerogel matrix by hydroxylamine seeding method of reducing gold ions on the silica colloidal surface. Subsequently, the pH value of system was adjusted to about 7-8, the gel formed within 2 h. After aging for 2 d, the gels were washed in aceton, and then dried supercritically (from CO 2 ) to yield aerogels. The reduction process was attributed to hydroxylamine-induced surface catalysis. Au clusters in the aerogel monoliths were characterized with optical adsorption, transmission electron microscopy. These techniques have shown the cluster size and weight content in the aerogels. Brunauer-emmett-teller surface area measurements show that the specific surface area of silica aerogels and doped aerogels are higher than 800 m 2 /g. (authors)

  19. Constraining omega from X-ray properties of clusters of galaxies at high redshifts

    DEFF Research Database (Denmark)

    Sadat, R.; Blanchard, A.; Oukbir, J.

    1997-01-01

    Properties of high redshift clusters are a fundamental source of information for cosmology. It has been shown by Oukbir and Blanchard (1997) that the combined knowledge of the redshift distribution of X-ray clusters of galaxies and the luminosity-temperature correlation, L-X - T-X, provides a pow...

  20. Dwarf galaxies in the coma cluster: Star formation properties and evolution

    Science.gov (United States)

    Hammer, Derek M.

    The infall regions of galaxy clusters are unique laboratories for studying the impact of environment on galaxy evolution. This intermediate region links the low-density field environment and the dense core of the cluster, and is thought to host recently accreted galaxies whose star formation is being quenched by external processes associated with the cluster. In this dissertation, we measure the star formation properties of galaxies at the infall region of the nearby rich cluster of galaxies, Coma. We rely primarily on Ultraviolet (UV) data owing to its sensitivity to recent star formation and we place more emphasis on the properties of dwarf galaxies. Dwarf galaxies are good tracers of external processes in clusters but their evolution is poorly constrained as they are intrinsically faint and hence more challenging to detect. We make use of deep GALEX far-UV and near-UV observations at the infall region of the Coma cluster. This area of the cluster has supporting photometric coverage at optical and IR wavelengths in addition to optical spectroscopic data that includes deep redshift coverage of dwarf galaxies in Coma. Our GALEX observations were the deepest exposures taken for a local galaxy cluster. The depth of these images required alternative data analysis techniques to overcome systematic effects that limit the default GALEX pipeline analysis. Specifically, we used a deblending method that improved detection efficiency by a factor of ˜2 and allowed reliable photometry a few magnitudes deeper than the pipeline catalog. We performed deep measurements of the total UV galaxy counts in our field that were used to measure the source confusion limit for crowded GALEX fields. The star formation properties of Coma members were studied for galaxies that span from starbursts to passive galaxies. Star-forming galaxies in Coma tend to have lower specific star formation rates, on average, as compared to field galaxies. We show that the majority of these galaxies are likely

  1. Magnetic susceptibilities of liquid Cr-Au, Mn-Au and Fe-Au alloys

    Energy Technology Data Exchange (ETDEWEB)

    Ohno, S.; Shimakura, H. [Niigata University of Pharmacy and Applied Life Sciences, Higashijima, Akiha-ku, Niigata 956-8603 (Japan); Tahara, S. [Faculty of Science, University of the Ryukyus, Nishihara-cho, Okinawa 903-0213 (Japan); Okada, T. [Niigata College of Technology, Kamishin’eicho, Nishi-ku, Niigata 950-2076 (Japan)

    2015-08-17

    The magnetic susceptibility of liquid Cr-Au, Mn-Au, Fe-Au and Cu-Au alloys was investigated as a function of temperature and composition. Liquid Cr{sub 1-c}Au{sub c} with 0.5 ≤ c and Mn{sub 1-c}Au{sub c} with 0.3≤c obeyed the Curie-Weiss law with regard to their dependence of χ on temperature. The magnetic susceptibilities of liquid Fe-Au alloys also exhibited Curie-Weiss behavior with a reasonable value for the effective number of Bohr magneton. On the Au-rich side, the composition dependence of χ for liquid TM-Au (TM=Cr, Mn, Fe) alloys increased rapidly with increasing TM content, respectively. Additionally, the composition dependences of χ for liquid Cr-Au, Mn-Au, and Fe-Au alloys had maxima at compositions of 50 at% Cr, 70 at% Mn, and 85 at% Fe, respectively. We compared the composition dependences of χ{sub 3d} due to 3d electrons for liquid binary TM-M (M=Au, Al, Si, Sb), and investigated the relationship between χ{sub 3d} and E{sub F} in liquid binary TM-M alloys at a composition of 50 at% TM.

  2. Asymmetric photoelectric property of transparent TiO2 nanotube films loaded with Au nanoparticles

    International Nuclear Information System (INIS)

    Wang, Hui; Liang, Wei; Liu, Yiming; Zhang, Wanggang; Zhou, Diaoyu; Wen, Jing

    2016-01-01

    Highlights: • Highly transparent films of TiO 2 nanotube arrays were directly fabricated on FTO glasses. • Semitransparent TNT-Au composite films were obtained and exhibited excellent photoelectrocatalytic ability. • Back-side of TNT-Au composite films was firstly irradiated and tested to compare with front-side of films. - Abstract: Semitransparent composite films of Au loaded TiO 2 nanotubes (TNT-Au) were prepared by sputtering Au nanoparticles on highly transparent TiO 2 nanotubes films, which were fabricated directly on FTO glasses by anodizing the Ti film sputtered on the FTO glasses. Compared with pure TNT films, the prepared TNT-Au films possessed excellent absorption ability and high photocurrent response and improved photocatalytic activity under visible-light irradiation. It could be concluded that Au nanoparticles played important roles in improving the photoelectrochemical performance of TNT-Au films. Moreover, in this work, both sides of TNT-Au films were researched and compared owing to theirs semitransparency. It was firstly found that the photoelectric activity of TNT-Au composite films with back-side illumination was obviously superior to front-side illumination.

  3. STAR CLUSTER PROPERTIES IN TWO LEGUS GALAXIES COMPUTED WITH STOCHASTIC STELLAR POPULATION SYNTHESIS MODELS

    Energy Technology Data Exchange (ETDEWEB)

    Krumholz, Mark R. [Department of Astronomy and Astrophysics, University of California, Santa Cruz, CA 95064 (United States); Adamo, Angela [Department of Astronomy, Oskar Klein Centre, Stockholm University, SE-10691 Stockholm (Sweden); Fumagalli, Michele [Institute for Computational Cosmology and Centre for Extragalactic Astronomy, Department of Physics, Durham University, South Road, Durham DH1 3LE (United Kingdom); Wofford, Aida [Institut d’Astrophysique de Paris, 98bis Boulevard Arago, F-75014 Paris (France); Calzetti, Daniela; Grasha, Kathryn [Department of Astronomy, University of Massachusetts–Amherst, Amherst, MA (United States); Lee, Janice C.; Whitmore, Bradley C.; Bright, Stacey N.; Ubeda, Leonardo [Space Telescope Science Institute, Baltimore, MD (United States); Gouliermis, Dimitrios A. [Centre for Astronomy, Institute for Theoretical Astrophysics, University of Heidelberg, Heidelberg (Germany); Kim, Hwihyun [Korea Astronomy and Space Science Institute, Daejeon (Korea, Republic of); Nair, Preethi [Department of Physics and Astronomy, University of Alabama, Tuscaloosa, AL (United States); Ryon, Jenna E. [Department of Astronomy, University of Wisconsin–Madison, Madison, WI (United States); Smith, Linda J. [European Space Agency/Space Telescope Science Institute, Baltimore, MD (United States); Thilker, David [Department of Physics and Astronomy, The Johns Hopkins University, Baltimore, MD (United States); Zackrisson, Erik, E-mail: mkrumhol@ucsc.edu, E-mail: adamo@astro.su.se [Department of Physics and Astronomy, Uppsala University, Uppsala (Sweden)

    2015-10-20

    We investigate a novel Bayesian analysis method, based on the Stochastically Lighting Up Galaxies (slug) code, to derive the masses, ages, and extinctions of star clusters from integrated light photometry. Unlike many analysis methods, slug correctly accounts for incomplete initial mass function (IMF) sampling, and returns full posterior probability distributions rather than simply probability maxima. We apply our technique to 621 visually confirmed clusters in two nearby galaxies, NGC 628 and NGC 7793, that are part of the Legacy Extragalactic UV Survey (LEGUS). LEGUS provides Hubble Space Telescope photometry in the NUV, U, B, V, and I bands. We analyze the sensitivity of the derived cluster properties to choices of prior probability distribution, evolutionary tracks, IMF, metallicity, treatment of nebular emission, and extinction curve. We find that slug's results for individual clusters are insensitive to most of these choices, but that the posterior probability distributions we derive are often quite broad, and sometimes multi-peaked and quite sensitive to the choice of priors. In contrast, the properties of the cluster population as a whole are relatively robust against all of these choices. We also compare our results from slug to those derived with a conventional non-stochastic fitting code, Yggdrasil. We show that slug's stochastic models are generally a better fit to the observations than the deterministic ones used by Yggdrasil. However, the overall properties of the cluster populations recovered by both codes are qualitatively similar.

  4. Electronic and chemical properties of barium and indium clusters

    International Nuclear Information System (INIS)

    Onwuagba, B.N.

    1992-11-01

    The ground state electronic and chemical properties of divalent barium and trivalent indium are investigated in a self-consistent manner using the spin-polarized local density approximation in the framework of Density Functional Theory. A jellium model is adopted in the spirit of Gunnarsson and Lundqvist exchange and correlation energies and the calculated properties primarily associated with the s-p orbitals in barium and p orbitals in indium provide deepened insight towards the understanding of the mechanisms to the magic numbers in both clusters. (author). 21 refs, 5 figs

  5. Enhanced catalyst activity by decorating of Au on Ag@Cu2O nanoshell

    Science.gov (United States)

    Chen, Lei; Liu, Maomao; Zhao, Yue; Kou, Qiangwei; Wang, Yaxin; Liu, Yang; Zhang, Yongjun; Yang, Jinghai; Jung, Young Mee

    2018-03-01

    We successfully synthesized Au-decorated Ag@Cu2O heterostructures via a simple galvanic replacement method. As the Au precursor concentration increased, the density of the Au nanoparticles (NPs) on the Ag@Cu2O surface increased, which changed the catalytic activity of the Ag@Cu2O-Au structure. The combination of Au, Ag, and Cu2O exhibited excellent catalytic properties, which can further effect on the catalyst activity of the Ag@Cu2O-Au structure. In addition, the proposed Ag@Cu2O-Au nanocomposite was used to transform the organic, toxic pollutant, 4-nitrophenol (4-NP), into its nontoxic and medicinally important amino derivative via a catalytic reduction to optimize the material performance. The proposed Au-decorated Ag@Cu2O exhibited excellent catalytic activity, and the catalytic reduction time greatly decreased (5 min). Thus, three novel properties of Ag@Cu2O-Au, i.e., charge redistribution and transfer, adsorption, and catalytic reduction of organic pollutants, were ascertained for water remediation. The proposed catalytic properties have potential applications for photocatalysis and localized surface plasmon resonance (LSPR)- and peroxidase-like catalysis.

  6. Theoretical study of electronic and dynamic properties of simple metal clusters in jellium model

    International Nuclear Information System (INIS)

    El-Amine Madjet, M.

    1994-01-01

    We have studied the electronic properties of alkali-metal clusters in various theoretical approximations and in the framework of the spherical jellium model. We have investigated the ground state properties of alkali clusters both in the LDA (local density approximation) and in HF (Hartree-Fock) theory. We have compared the LDA predictions of the ground state properties to predictions obtained within the HF theory. Such a comparison permitted us to check the validity of the local density functional theory in describing the ground state of a finite fermion system. For the study of collective dipolar excitations in clusters, we have considered an electromagnetic excitation. We have investigated the collective modes in the following approximations: random phase approximation (RPA), time-dependent local-density approximation (TDLDA) and the sum-rules approach. An assessment of the approximation for the continuum state within the RPA is made by comparing with TDLDA calculations for the static and dynamic electronic properties. The comparative study that we have done on the exchange-correlation effects on the electronic and optical properties have shown that the discrepancies with measured data are due mostly to the jellium approximation for the ionic background. (author). 69 refs., 30 figs., 18 tabs

  7. Ab initio simulations of scanning-tunneling-microscope images with embedding techniques and application to C58-dimers on Au(111).

    Science.gov (United States)

    Wilhelm, Jan; Walz, Michael; Stendel, Melanie; Bagrets, Alexei; Evers, Ferdinand

    2013-05-14

    We present a modification of the standard electron transport methodology based on the (non-equilibrium) Green's function formalism to efficiently simulate STM-images. The novel feature of this method is that it employs an effective embedding technique that allows us to extrapolate properties of metal substrates with adsorbed molecules from quantum-chemical cluster calculations. To illustrate the potential of this approach, we present an application to STM-images of C58-dimers immobilized on Au(111)-surfaces that is motivated by recent experiments.

  8. Conductive Au nanowires regulated by silk fibroin nanofibers

    Science.gov (United States)

    Dong, Bo-Ju; Lu, Qiang

    2014-03-01

    Conductive Au-biopolymer composites have promising applications in tissue engineering such as nerve tissue regeneration. In this study, silk fibroin nanofibers were formed in aqueous solution by regulating silk self-assembly process and then used as template for Au nanowire fabrication. We performed the synthesis of Au seeds by repeating the seeding cycles for several times in order to increase the density of Au seeds on the nanofibers. After electroless plating, densely decorated Au seeds grew into irregularly shaped particles following silk nanofiber to fill the gaps between particles and finally form uniform continuous nanowires. The conductive property of the Au-silk fibroin nanowires was studied with current-voltage ( I-V) measurement. A typical ohmic behavior was observed, which highlighted their potential applications in nerve tissue regeneration.

  9. Interplay of electronic and geometry shell effects in properties of neutral and charged Sr clusters

    DEFF Research Database (Denmark)

    Lyalin, Andrey; Solov'yov, Ilia; Solov'yov, Andrey V.

    2007-01-01

    that the size evolution of structural and electronic properties of strontium clusters is governed by an interplay of the electronic and geometry shell closures. Influence of the electronic shell effects on structural rearrangements can lead to violation of the icosahedral growth motif of strontium clusters......The optimized structure and electronic properties of neutral, singly, and doubly charged strontium clusters have been investigated using ab initio theoretical methods based on density-functional theory. We have systematically calculated the optimized geometries of neutral, singly, and doubly...... charged strontium clusters consisting of up to 14 atoms, average bonding distances, electronic shell closures, binding energies per atom, the gap between the highest occupied and the lowest unoccupied molecular orbitals, and spectra of the density of electronic states (DOS). It is demonstrated...

  10. The characteristics and mechanisms of Au nanoparticles processed by functional centrifugal procedures

    Science.gov (United States)

    Shiau, Bo-Wen; Lin, Chien-Hung; Liao, Ying-Yen; Lee, Ya-Rong; Liu, Shih-Hao; Ding, Wei-Cheng; Lee, Jia-Ren

    2018-05-01

    In this work, the optical properties of Au nanoparticles processed by centrifugation techniques are studied. Most of the literature related to the control of nanoparticle size has focused on different preparation parameters; however, the wide size distribution is commonly an issue for follow-up investigations and further applications. Therefore, we developed a method in which specific-diameter particles can be effectively separated using different centrifugal procedures. The initial nanoparticle solution with a primary absorption peak at 534 nm is separated into discernible resonance wavelengths from 526 to 537 nm, with corresponding particle sizes from 30 to 55 nm. For the atomic force microscopy analysis of nanoparticle size, a dry cetyltrimethylammonium bromide (CTAB) film often covers the particles and interferes with the measurement; thus, CTAB has to be removed. However, if too much CTAB is removed, the surface of the Au nanoparticle becomes unstable, and the particles aggregate. Accordingly, we used UV spectroscopy to monitor the CTAB content; properly adjust the rotational speed and the number of centrifugation stages; and design a method that can effectively remove impurities, avoid clustering, and enable particle size measurement. The usually complicated procedures and high cost of preparation of specific-size Au nanoparticles are greatly simplified and reduced by the convenient extraction process proposed in this work, which would benefit related research and applications.

  11. Synthesis of Au-Pd Nanoflowers Through Nanocluster Assembly

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Jianguang [Duke University; Howe, Jane Y [ORNL; Chi, Miaofang [ORNL; Wilson, Adria [Duke University; Rathmall, Aaron [Duke University; Wiley, Benjamin J [ORNL

    2011-01-01

    Reduction of Pd ions by hydroquinone in the presence of gold nanoparticles and polyvinylpyrrolidone resulted in the formation of nanoflowers with a Au core and Pd petals. Addition of HCl to the synthesis halted the reduction by hydroquinone and enabled the acquisition of snapshots of the nanoflowers at different stages of growth. TEM images of the reaction after 10 s show that the nanoflower morphology resulted from the homogeneous nucleation of Pd clusters in solution and their subsequent attachment to gold seeds coated with a thin (0.8 {+-} 0.1 nm) shell of Pd. UV-visible spectra also indicate Pd clusters formed in the early stages of the reaction and disappeared as the nanoflowers grew. The speed at which this reaction can be halted is useful not only for producing a variety of bimetallic nanostructures with precisely controlled dimensions and morphologies but also for understanding the growth mechanism of these structures. The ability of the AuPd core-shell structure to catalyze the Suzuki coupling reaction of iodobenzene to phenylboronic acid was probed and compared against the activity of Pd nanocubes and thin-shelled AuPd core-shell nanoparticles. The results of this study suggest that Suzuki coupling was not affected by the surface structure or subsurface composition of the nanoparticles, but instead was primarily catalyzed by molecular Pd species that leached from the nanostructures.

  12. Fabrication of fine spongy nanoporous Ag-Au alloys with improved catalysis properties

    Directory of Open Access Journals (Sweden)

    Cuiting Li

    2017-12-01

    Full Text Available Fine NP-AgAu (nanoporous AgAu alloys with spongy structure was fabricated by chemical dealloying from rapidly solidified amorphous precursors Ag38.75−xCu38.75Si22.5Aux (x=0, 0.5, 1 and 5. The results indicate that the addition of small content Au in precursor can refine both the ligaments and pores obviously. Among the present components of the precursors, NP-AgAu alloys dealloying from Ag37.75Cu38.75Si22.5Au1 had the finest spongy structure. The size of pores was 5–10 nm and the grain size of ligaments was 10–20 nm. It also had the highest surface area of 106.83 m2g−1 and the best catalytic activity towards electro-oxidation of formaldehyde with the peak current of 665 mA mg−1.

  13. Temperature-induced assembly of semiconductor nanocrystals into fractal architectures and thermoelectric power properties in Au/Ge bilayer films

    Energy Technology Data Exchange (ETDEWEB)

    Li Quanbao; Wang Jian; Jiao Zheng [Shanghai Applied Radiation Institute, Institute of Nanochemistry and Nanobiology, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444 (China); Wu Minghong, E-mail: mhwu@staff.shu.edu.cn [Shanghai Applied Radiation Institute, Institute of Nanochemistry and Nanobiology, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444 (China); Shek, Chan-Hung; Lawrence Wu, C.M.; Lai, Joseph K.L. [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong (Hong Kong); Chen Zhiwen, E-mail: cnzwchen@yahoo.com.cn [Shanghai Applied Radiation Institute, Institute of Nanochemistry and Nanobiology, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444 (China); Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong (Hong Kong)

    2011-08-15

    Highlights: > Ge fractal architectures were achieved by temperature-induced assembly. > The appearance of fractal architectures influences the thermoelectric power. > But it has little effect on the resistivity. > The values of the superlocalization exponent were within 1.22 {<=} {xi} {<=} 1.29. > It was higher than expected for two-dimension fractal system. - Abstract: Fractal architectures of semiconductor nanocrystals were successfully achieved by temperature-induced assembly of semiconductor nanocrystals in gold/germanium (Au/Ge) bilayer films. New assessment strategies of fractal architectures are of fundamental importance in the development of micro/nano-devices. Temperature-dependent properties including resistivity and thermoelectric power (TEP) of Au/Ge bilayer films with self-similar fractal patterns were investigated in detail. Experimental results indicated that the microstructure of Au film plays an important role in the characteristics of Au/Ge bilayer films after annealing and the crystallization processes of amorphous Ge accompany by fractal formation of Ge nanocrystals via temperature-induced assembly. The appearance of fractal architectures has significantly influence on the TEP but little effect on the resistivity of the annealed bilayer film. By analysis of the data, we found that the values of superlocalization exponent are within 1.22 {<=} {xi} {<=} 1.29, which are higher than expected for two-dimension fractal systems. The results provided possible evidence for the superlocalization on fractal architectures in Au/Ge bilayer films. The TEP measurements are considered a more effective method than the conductivity for investigating superlocalization in a percolating system.

  14. Interfacial oxygen under TiO2 supported Au clusters revealed by a genetic algorithm search

    DEFF Research Database (Denmark)

    Vilhelmsen, Lasse Baarvig; Hammer, B.

    2013-01-01

    We present a density functional theory study of the oxidation of 1D periodic rods supported along the [001] direction on the rutile TiO2(110) surface. The study shows evidence for an oxidation of the interface between the supported Au and the TiO2 crystal. The added O atoms adsorb at the 5f......-Ti atoms in the through under the Au rod and are stabilized by charge transfer from the nearest Au atoms. Despite an extensive search, we find no low energy barrier pathways for CO oxidation involving CO adsorbed on Au and O at the perimeter of the Au/TiO2 interface. This is in part attributed the weak...

  15. Optical properties of cluster plasma

    Energy Technology Data Exchange (ETDEWEB)

    Kishimoto, Yasuaki; Tajima, Toshiki [Japan Atomic Energy Research Inst., Neyagawa, Osaka (Japan). Kansai Research Establishment; Downer, M C

    1998-03-01

    It is shown that unlike a gas plasma or an electron plasma in a metal, an ionized clustered material (`cluster plasma`) permits propagation below the plasma cut-off of electromagnetic (EM) waves whose phase velocity is close to but below the speed of light. This results from the excitation of a plasma oscillation mode (and/or polarization mode) through the cluster surface which does not exist in usual gaseous plasma. The existence of this new optical mode, cluster mode, is confirmed via numerical simulation. (author)

  16. Cluster analysis of midlatitude oceanic cloud regimes: mean properties and temperature sensitivity

    Directory of Open Access Journals (Sweden)

    N. D. Gordon

    2010-07-01

    Full Text Available Clouds play an important role in the climate system by reducing the amount of shortwave radiation reaching the surface and the amount of longwave radiation escaping to space. Accurate simulation of clouds in computer models remains elusive, however, pointing to a lack of understanding of the connection between large-scale dynamics and cloud properties. This study uses a k-means clustering algorithm to group 21 years of satellite cloud data over midlatitude oceans into seven clusters, and demonstrates that the cloud clusters are associated with distinct large-scale dynamical conditions. Three clusters correspond to low-level cloud regimes with different cloud fraction and cumuliform or stratiform characteristics, but all occur under large-scale descent and a relatively dry free troposphere. Three clusters correspond to vertically extensive cloud regimes with tops in the middle or upper troposphere, and they differ according to the strength of large-scale ascent and enhancement of tropospheric temperature and humidity. The final cluster is associated with a lower troposphere that is dry and an upper troposphere that is moist and experiencing weak ascent and horizontal moist advection.

    Since the present balance of reflection of shortwave and absorption of longwave radiation by clouds could change as the atmosphere warms from increasing anthropogenic greenhouse gases, we must also better understand how increasing temperature modifies cloud and radiative properties. We therefore undertake an observational analysis of how midlatitude oceanic clouds change with temperature when dynamical processes are held constant (i.e., partial derivative with respect to temperature. For each of the seven cloud regimes, we examine the difference in cloud and radiative properties between warm and cold subsets. To avoid misinterpreting a cloud response to large-scale dynamical forcing as a cloud response to temperature, we require horizontal and vertical

  17. Radio properties of central dominant galaxies in cluster cooling flows

    International Nuclear Information System (INIS)

    O'dea, C.P.; Baum, S.A.

    1986-01-01

    New VLA observations of central dominant (cd) galaxies currently thought to be in cluster cooling flows are combined with observations from the literature to examine the global properties of a heterogeneous sample of 31 cd galaxies. The radio sources tend to be of low or intermediate radio power and have small sizes (median extent about 25 kpc). The resolved sources tend to have distorted morphologies (e.g., wide-angle tails and S shapes). It is not yet clear whether the radio emission from these cd galaxies is significantly different from those not thought to be in cluster cooling flows. The result of Jones and Forman (1984), that there is a possible correlation between radio power and excess X-ray luminosity in the cluster center (above a King model fit to the X-ray surface brightness), is confirmed. 43 references

  18. Reactions of mixed silver-gold cluster cations AgmAun+ (m+n=4,5,6) with CO: Radiative association kinetics and density functional theory computations

    International Nuclear Information System (INIS)

    Neumaier, Marco; Weigend, Florian; Hampe, Oliver; Kappes, Manfred M.

    2006-01-01

    Near thermal energy reactive collisions of small mixed metal cluster cations Ag m Au n + (m+n=4, 5, and 6) with carbon monoxide have been studied in the room temperature Penning trap of a Fourier transform ion-cyclotron-resonance mass spectrometer as a function of cluster size and composition. The tetrameric species AgAu 3 + and Ag 2 Au 2 + are found to react dissociatively by way of Au or Ag atom loss, respectively, to form the cluster carbonyl AgAu 2 CO + . In contrast, measurements on a selection of pentamers and hexamers show that CO is added with absolute rate constants that decrease with increasing silver content. Experimentally determined absolute rate constants for CO adsorption were analyzed using the radiative association kinetics model to obtain cluster cation-CO binding energies ranging from 0.77 to 1.09 eV. High-level ab initio density functional theory (DFT) computations identifying the lowest-energy cluster isomers and the respective CO adsorption energies are in good agreement with the experimental findings clearly showing that CO binds in a ''head-on'' fashion to a gold atom in the mixed clusters. DFT exploration of reaction pathways in the case of Ag 2 Au 2 + suggests that exoergicities are high enough to access the minimum energy products for all reactive clusters probed

  19. Electronic properties of large metal clusters in Jellium and pseudo-jellium models

    International Nuclear Information System (INIS)

    Catara, F.; Van Giai, N.; Chomaz, P.

    1994-08-01

    The energy-density functional approach and jellium-like models are used to examine two important electronic properties of metal (Li, Na, K) clusters: their shell and supershell structures, and the behaviour of plasmon energies with increasing cluster sizes. A comparative study is made between predictions of the usual jellium model and those of the pseudo-jellium model where pseudo-Hamiltonians are used. (authors) 10 figs., 5 tabs., 16 refs

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

    Science.gov (United States)

    Gupta, Shalabh; Corbett, John D

    2010-07-14

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

  1. Experimental Correlation between Nonlinear Optical and Magnetotransport Properties Observed in Au-Co Thin Films

    Directory of Open Access Journals (Sweden)

    Kaida Yang

    2016-01-01

    Full Text Available Magnetic materials where at least one dimension is in the nanometer scale typically exhibit different magnetic, magnetotransport, and magnetooptical properties compared to bulk materials. Composite magnetic thin films where the matrix composition, magnetic cluster size, and overall composite film thickness can be experimentally tailored via adequate processing or growth parameters offer a viable nanoscale platform to investigate possible correlations between nonlinear magnetooptical and magnetotransport properties, since both types of properties are sensitive to the local magnetization landscape. It has been shown that the local magnetization contrast affects the nonlinear magnetooptical properties as well as the magnetotransport properties in magnetic-metal/nonmagnetic metal multilayers; thus, nanocomposite films showcase another path to investigate possible correlations between these distinct properties which may prove useful for sensing applications.

  2. Supersonic cluster beams: a powerful method for the deposition of nanostructured thin films with tailored properties

    International Nuclear Information System (INIS)

    Milani, P.

    2002-01-01

    By using a pulsed micro-plasma cluster source and by exploiting aero-dynamical effects typical of supersonic beams it is possible to obtain very high deposition rates with a control on neutral cluster mass distribution, allowing the deposition of thin films with controlled nanostructure. Due to high deposition rates, high lateral resolution, low temperature processing supersonic cluster beams can also be used for the micro and nano-patterning of cluster-assembled films when little or no post-growth manipulation or assembly is required. For example the nano and meso-structure of films obtained by carbon cluster beam deposition can be controlled by selecting in the beam the elemental building blocks, moreover functional properties such as field emission can be controlled and tailored. The use of supersonic cluster beams opens also new perspectives for the production of nano-structured films with novel physico-chemical and topological properties such as nano-structured carbon matrices containing carbide and transition metal particles. (Author)

  3. Au@NiO core-shell nanoparticles as a p-type gas sensor: Novel synthesis, characterization, and their gas sensing properties with sensing mechanism

    KAUST Repository

    Majhi, Sanjit Manohar

    2018-04-25

    In this work, Au@NiO core-shell nanoparticles (C-S NPs) as a p-type gas sensing material was synthesized by a facile wet-chemical method, and evaluated their gas sensing properties as compared to the pristine NiO NPs gas sensors. Transmission electron microscope (TEM) results exhibited the well-dispersed formation of Au@NiO C-S NPs having the total size of 70–120 nm and NiO shells having 30–50 nm thickness. The C-S morphology as well as the overall particle sizes are unchanged even at 500 °C. The gas sensing result reveals that the response of Au@NiO C-S NPs gas sensor is higher than pristine NiO NPs gas sensor for 100 ppm of ethanol at 200 °C operating temperature. The baseline resistance in the air for Au@NiO C-S NPs sensor is lowered as compared to pristine NiO NPs, which is due to the increased number of holes as charge carriers in Au@NiO C-S NPs. The high response of Au@NiO core-shell NPs as compared to pristine NiO NPs is attributed to electronic and chemical sensitization effects of Au. In Au@NiO C-S structure, the contact between metal (Au) and semiconductor (NiO) formed a Schottky junction since Au metal acted as electron acceptor, a withdrawal of electrons from NiO by Au metal core leaved behind number of holes as charge carriers in Au@NiO C-S NPs. Therefore, the baseline resistance of Au@NiO C-S NPs greatly decreased than pristine NiO NPs, as a result the Au@NiO C-S NPs showed higher response. On the other hand, in chemical sensitization effect, Au NPs catalyzed to dissociate O2 molecules into ionic species. This work will give some clue to the researchers for the further development of p-type based C-S NPs sensors.

  4. Bi-Directional Ion Emission from Massive Gold Cluster Impacts on Nanometric Carbon Foils.

    Science.gov (United States)

    Debord, J Daniel; Della-Negra, Serge; Fernandez-Lima, Francisco A; Verkhoturov, Stanislav V; Schweikert, Emile A

    2012-04-12

    Carbon cluster emission from thin carbon foils (5-40 nm) impacted by individual Au(n) (+q) cluster projectiles (95-125 qkeV, n/q = 3-200) reveals features regarding the energy deposition, projectile range, and projectile fate in matter as a function of the projectile characteristics. For the first time, the secondary ion emission from thin foils has been monitored simultaneously in both forward and backward emission directions. The projectile range and depth of emission were examined as a function of projectile size, energy, and target thickness. A key finding is that the massive cluster impact develops very differently from that of a small polyatomic projectile. The range of the 125 qkeV Au(100q) (+q) (q ≈ 4) projectile is estimated to be 20 nm (well beyond the range of an equal velocity Au(+)) and projectile disintegration occurs at the exit of even a 5 nm thick foil.

  5. Preparation of Ag{sub core}/Au{sub shell} bimetallic nanoparticles from physical mixtures of Au clusters and Ag ions under dark conditions and their catalytic activity for aerobic glucose oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Haijun, E-mail: zhanghaijun@wust.edu.cn [College of Materials and Metallurgy, Wuhan University of Science and Technology, Wuhan, Hubei Province 430081 (China); Toshima, Naoki; Takasaki, Kanako [Department of Applied Chemistry, Tokyo University of Science Yamaguchi, SanyoOnoda-shi, Yamaguchi 756-0884 (Japan); Okumura, Mitsutaka [Department of Chemistry, Graduate School of Science, Osaka University, Machikaneyama, Toyonaka, Osaka 560-0043 (Japan)

    2014-02-15

    Graphical abstract: The synthesis, characterization and catalytic activities for glucose oxidation of AgAu bimetallic nanoparticles (BNPs) with size of less than 2 nm are reported. The catalytic activity of Ag{sub 10}Au{sub 90} BNPs was about two times higher than that of Au NPs, even the BNPs have a larger particle size than that of Au NPs. -- Highlights: • Ag{sub core}/Au{sub shell} BNPs with size of less than 2.0 nm were prepared. • No any reducing reagents and lights were used for the preparation of the BNPs. • The catalytic activity of the BNPs is about two times higher than that of Au NPs. -- Abstract: AgAu bimetallic nanoparticles (BNPs), one of the most extensively studied bimetallic systems in the literatures, could have various structures and compositions depending on their preparation conditions. In the present work, catalytically highly active PVP-protected Ag{sub core}/Au{sub shell} BNPs of about 2.5 nm in diameter were fabricated from physical mixtures of aqueous dispersions of Au nanoparticles and Ag{sup +} ions under dark conditions without using any reducing agents. The prepared Ag{sub core}/Au{sub shell} BNP colloidal catalysts, which possessed a high activity for aerobic glucose oxidation, were characterized by Ultraviolet–visible spectrophotometry (UV–Vis), Inductive coupled plasma emission spectrometer (ICP), Transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and Energy disperse spectroscopy (EDS) in High-resolution scanning transmission electron microscopy (HR-STEM). The highest activity (11,360 mol-glucose h{sup −1} mol-metal{sup −1}) was observed for the BNPs with the Ag/Au atomic ratio of 1/9, the TOF value of which is about two times higher than that of Au nanoparticles with the particle size of 1.3 nm. The enhanced catalytic activity of the prepared Ag{sub core}/Au{sub shell} BNPs compared to Au NPs can be ascribed to the presence of negatively charged Au atoms resulted from electron donations

  6. Ultraflat Au nanoplates as a new building block for molecular electronics.

    Science.gov (United States)

    Jeong, Wooseok; Lee, Miyeon; Lee, Hyunsoo; Lee, Hyoban; Kim, Bongsoo; Park, Jeong Young

    2016-05-27

    We demonstrate the charge transport properties of a self-assembled organic monolayer on Au nanoplates with conductive probe atomic force microscopy (CP-AFM). Atomically flat Au nanoplates, a few hundred micrometers on each side, that have only (111) surfaces, were synthesized using the chemical vapor transport method; these nanoplates were employed as the substrates for hexadecanethiol (HDT) self-assembled monolayers (SAMs). Atomic-scale high-resolution images show (√3 x √3) R30° molecular periodicity, indicating a well-ordered structure of the HDT on the Au nanoplates. We observed reduced friction and adhesion forces on the HDT SAMs on Au nanoplates, compared with Si substrates, which is consistent with the lubricating nature of HDT SAMs. The electrical properties, such as I-V characteristics and current as a function of load, were measured using CP-AFM. We obtained a tunneling decay constant (β) of 0.57 Å(-1), including through-bond (βtb = 0.99 Å(-1)) and through-space (βts = 1.36 Å(-1)) decay constants for the two-pathway model. This indicates that the charge transport properties of HDT SAMs on Au nanoplates are consistent with those on a Au (111) film, suggesting that SAMs on nanoplates can provide a new building block for molecular electronics.

  7. Properties of an ionised-cluster beam from a vaporised-cluster ion source

    International Nuclear Information System (INIS)

    Takagi, T.; Yamada, I.; Sasaki, A.

    1978-01-01

    A new type of ion source vaporised-metal cluster ion source, has been developed for deposition and epitaxy. A cluster consisting of 10 2 to 10 3 atoms coupled loosely together is formed by adiabatic expansion ejecting the vapour of materials into a high-vacuum region through the nozzle of a heated crucible. The clusters are ionised by electron bombardment and accelerated with neutral clusters toward a substrate. In this paper, mechanisms of cluster formation experimental results of the cluster size (atoms/cluster) and its distribution, and characteristics of the cluster ion beams are reported. The size is calculated from the kinetic equation E = (1/2)mNVsub(ej) 2 , where E is the cluster beam energy, Vsub(ej) is the ejection velocity, m is the mass of atom and N is the cluster size. The energy and the velocity of the cluster are measured by an electrostatic 127 0 energy analyser and a rotating disc system, respectively. The cluster size obtained for Ag is about 5 x 10 2 to 2 x 10 3 atoms. The retarding potential method is used to confirm the results for Ag. The same dependence on cluster size for metals such as Ag, Cu and Pb has been obtained in previous experiments. In the cluster state the cluster ion beam is easily produced by electron bombardment. About 50% of ionised clusters are obtained under typical operation conditions, because of the large ionisation cross sections of the clusters. To obtain a uniform spatial distribution, the ionising electrode system is also discussed. The new techniques are termed ionised-cluster beam deposition (ICBD) and epitaxy (ICBE). (author)

  8. Structural stabilities and electronic properties of Mg28-nAln clusters: A first-principles study

    Directory of Open Access Journals (Sweden)

    Bao-Juan Lu

    2017-09-01

    Full Text Available In this paper, we have constructed the alloy configurations of Mg28-nAln by replacing atoms at various possible positions, starting from the stable structures of Mg28 and Al28 clusters. According to the symmetry of the cluster structure, the isomers of these initial structures have been screened with the congruence check, which would reduce computational hours and improve efficiency. Using the first-principles method, the structural evolution, mixing behavior and electronic properties of Mg28-nAln clusters are investigated for all compositions. We conclude that Al atoms prefer to reside in the central positions of Mg−Al clusters and Mg atoms tend to occupy the peripheral location. The negative mixing enthalpies imply the stabilities of these Mg-Al clusters and thus possible applications in catalysis and hydrogen storage materials. Among Mg28-nAln clusters, Mg24Al4, Mg21Al7, Mg14Al14, Mg26Al2 and Mg27Al1 present relatively high thermodynamic stabilities, and the electronic properties of these stable structures are discussed with the charge distributions around the Fermi level.

  9. Nanoporous Au: an unsupported pure gold catalyst?

    Energy Technology Data Exchange (ETDEWEB)

    Wittstock, A; Neumann, B; Schaefer, A; Dumbuya, K; Kuebel, C; Biener, M; Zielasek, V; Steinrueck, H; Gottfried, M; Biener, J; Hamza, A; B?umer, M

    2008-09-04

    The unique properties of gold especially in low temperature CO oxidation have been ascribed to a combination of various effects. In particular, particle sizes below a few nm and specific particle-support interactions have been shown to play important roles. On the contrary, recent reports revealed that monolithic nanoporous gold (npAu) prepared by leaching a less noble metal, such as Ag, out of the corresponding alloy can also exhibit remarkably high catalytic activity for CO oxidation, even though no support is present. Therefore, it was claimed to be a pure and unsupported gold catalyst. We investigated npAu with respect to its morphology, surface composition and catalytic properties. In particular, we studied the reaction kinetics for low temperature CO oxidation in detail taking mass transport limitation due to the porous structure of the material into account. Our results reveal that Ag, even if removed almost completely from the bulk, segregates to the surface resulting in surface concentrations of up to 10 at%. Our data suggest that this Ag plays a significant role in activation of molecular oxygen. Therefore, npAu should be considered as a bimetallic catalyst rather than a pure Au catalyst.

  10. Asymmetric photoelectric property of transparent TiO{sub 2} nanotube films loaded with Au nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Hui [College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan, Shanxi 030024 (China); College of Applied Science, Taiyuan University of Science and Technology, Taiyuan, Shanxi 030024 (China); Key Laboratory of Interface Science and Engineering in Advanced Materials, Taiyuan University of Technology, Ministry of Education, Taiyuan, Shanxi 030024 (China); Liang, Wei, E-mail: 986903124@qq.com [College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan, Shanxi 030024 (China); Key Laboratory of Interface Science and Engineering in Advanced Materials, Taiyuan University of Technology, Ministry of Education, Taiyuan, Shanxi 030024 (China); Liu, Yiming; Zhang, Wanggang; Zhou, Diaoyu; Wen, Jing [College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan, Shanxi 030024 (China); Key Laboratory of Interface Science and Engineering in Advanced Materials, Taiyuan University of Technology, Ministry of Education, Taiyuan, Shanxi 030024 (China)

    2016-11-15

    Highlights: • Highly transparent films of TiO{sub 2} nanotube arrays were directly fabricated on FTO glasses. • Semitransparent TNT-Au composite films were obtained and exhibited excellent photoelectrocatalytic ability. • Back-side of TNT-Au composite films was firstly irradiated and tested to compare with front-side of films. - Abstract: Semitransparent composite films of Au loaded TiO{sub 2} nanotubes (TNT-Au) were prepared by sputtering Au nanoparticles on highly transparent TiO{sub 2} nanotubes films, which were fabricated directly on FTO glasses by anodizing the Ti film sputtered on the FTO glasses. Compared with pure TNT films, the prepared TNT-Au films possessed excellent absorption ability and high photocurrent response and improved photocatalytic activity under visible-light irradiation. It could be concluded that Au nanoparticles played important roles in improving the photoelectrochemical performance of TNT-Au films. Moreover, in this work, both sides of TNT-Au films were researched and compared owing to theirs semitransparency. It was firstly found that the photoelectric activity of TNT-Au composite films with back-side illumination was obviously superior to front-side illumination.

  11. Heterojunction metal-oxide-metal Au-Fe{sub 3}O{sub 4}-Au single nanowire device for spintronics

    Energy Technology Data Exchange (ETDEWEB)

    Reddy, K. M., E-mail: mrkongara@boisestate.edu; Punnoose, Alex; Hanna, Charles [Department of Physics, Boise State University, Boise, Idaho 83725 (United States); Padture, Nitin P. [School of Engineering, Brown University, Providence, Rhode Island 02912 (United States)

    2015-05-07

    In this report, we present the synthesis of heterojunction magnetite nanowires in alumina template and describe magnetic and electrical properties from a single nanowire device for spintronics applications. Heterojunction Au-Fe-Au nanowire arrays were electrodeposited in porous aluminum oxide templates, and an extensive and controlled heat treatment process converted Fe segment to nanocrystalline cubic magnetite phase with well-defined Au-Fe{sub 3}O{sub 4} interfaces as confirmed by the transmission electron microscopy. Magnetic measurements revealed Verwey transition shoulder around 120 K and a room temperature coercive field of 90 Oe. Current–voltage (I-V) characteristics of a single Au-Fe{sub 3}O{sub 4}-Au nanowire have exhibited Ohmic behavior. Anomalous positive magnetoresistance of about 0.5% is observed on a single nanowire, which is attributed to the high spin polarization in nanowire device with pure Fe{sub 3}O{sub 4} phase and nanocontact barrier. This work demonstrates the ability to preserve the pristine Fe{sub 3}O{sub 4} and well defined electrode contact metal (Au)–magnetite interface, which helps in attaining high spin polarized current.

  12. Ground state structures and properties of Si3Hn (n= 1–6) clusters

    Indian Academy of Sciences (India)

    The ground state structures and properties of Si3H (1 ≤ ≤ 6) clusters have been calculated using Car–Parrinello molecular dynamics with simulated annealing and steepest descent optimization methods. We have studied cohesive energy per particle and first excited electronic level gap of the clusters as a function of ...

  13. Catalytically favorable surface patterns in Pt-Au nanoclusters

    KAUST Repository

    Mokkath, Junais Habeeb

    2013-01-01

    Motivated by recent experimental demonstrations of novel PtAu nanoparticles with highly enhanced catalytic properties, we present a systematic theoretical study that explores principal catalytic indicators as a function of the particle size and composition. We find that Pt electronic states in the vicinity of the Fermi level combined with a modified electron distribution in the nanoparticle due to Pt-to-Au charge transfer are the origin of the outstanding catalytic properties. From our model we deduce the catalytically favorable surface patterns that induce ensemble and ligand effects. © The Royal Society of Chemistry 2013.

  14. Electronic and magnetic properties of 3d transition metal-doped strontium clusters: Prospective magnetic superatoms

    International Nuclear Information System (INIS)

    Chauhan, Vikas; Sen, Prasenjit

    2013-01-01

    Highlights: • Structural, electronic and magnetic properties of TM-Sr clusters are studied using DFT methods. • CrSr 9 and MnSr 10 have enhanced stability in the CrSr n and MnSrn series. • These two clusters behave as magnetic superatoms. • A qualitative understanding of the magnetic coupling between two superatom units is offered. • Reactivity of these superatoms to molecular oxygen also studied. - Abstract: Structural, electronic and magnetic properties of 3d transition metal doped strontium clusters are studied using first-principles electronic structure methods based on density functional theory. Clusters with enhanced kinetic and thermodynamic stability are identified by studying their hardness, second order energy difference and adiabatic spin excitation energy. CrSr 9 and MnSr 10 are found to have enhanced stability. They retain their structural identities in assemblies, and are classified as magnetic superatoms. A qualitative understanding of the magnetic coupling between two cluster units is arrived at. Reactivity of these superatoms with O 2 molecule is also studied. Prospects for using these magnetic superatoms in applications are discussed

  15. Properties of coupled-cluster equations originating in excitation sub-algebras

    Science.gov (United States)

    Kowalski, Karol

    2018-03-01

    In this paper, we discuss properties of single-reference coupled cluster (CC) equations associated with the existence of sub-algebras of excitations that allow one to represent CC equations in a hybrid fashion where the cluster amplitudes associated with these sub-algebras can be obtained by solving the corresponding eigenvalue problem. For closed-shell formulations analyzed in this paper, the hybrid representation of CC equations provides a natural way for extending active-space and seniority number concepts to provide an accurate description of electron correlation effects. Moreover, a new representation can be utilized to re-define iterative algorithms used to solve CC equations, especially for tough cases defined by the presence of strong static and dynamical correlation effects. We will also explore invariance properties associated with excitation sub-algebras to define a new class of CC approximations referred to in this paper as the sub-algebra-flow-based CC methods. We illustrate the performance of these methods on the example of ground- and excited-state calculations for commonly used small benchmark systems.

  16. 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.

  17. Photoinduced Glycerol Oxidation over Plasmonic Au and AuM (M = Pt, Pd and Bi) Nanoparticle-Decorated TiO2 Photocatalysts

    Science.gov (United States)

    Jedsukontorn, Trin; Saito, Nagahiro; Hunsom, Mali

    2018-01-01

    In this study, sol-immobilization was used to prepare gold nanoparticle (Au NP)-decorated titanium dioxide (TiO2) photocatalysts at different Au weight % (wt. %) loading (Aux/TiO2, where x is the Au wt. %) and Au–M NP-decorated TiO2 photocatalysts (Au3M3/TiO2), where M is bismuth (Bi), platinum (Pt) or palladium (Pd) at 3 wt. %. The Aux/TiO2 photocatalysts exhibited a stronger visible light absorption than the parent TiO2 due to the localized surface plasmon resonance effect. Increasing the Au content from 1 wt. % to 7 wt. % led to increased visible light absorption due to the increasing presence of defective structures that were capable of enhancing the photocatalytic activity of the as-prepared catalyst. The addition of Pt and Pd coupled with the Au3/TiO2 to form Au3M3/TiO2 improved the photocatalytic activity of the Au3/TiO2 photocatalyst by maximizing their light-absorption property. The Au3/TiO2, Au3Pt3/TiO2 and Au3Pd3/TiO2 photocatalysts promoted the formation of glyceraldehyde from glycerol as the principle product, while Au3Bi3/TiO2 facilitated glycolaldehyde formation as the major product. Among all the prepared photocatalysts, Au3Pd3/TiO2 exhibited the highest photocatalytic activity with a 98.75% glycerol conversion at 24 h of reaction time. PMID:29690645

  18. Clustering properties of dynamical dark energy models

    International Nuclear Information System (INIS)

    Avelino, P. P.; Beca, L. M. G.; Martins, C. J. A. P.

    2008-01-01

    We provide a generic but physically clear discussion of the clustering properties of dark energy models. We explicitly show that in quintessence-type models the dark energy fluctuations, on scales smaller than the Hubble radius, are of the order of the perturbations to the Newtonian gravitational potential, hence necessarily small on cosmological scales. Moreover, comparable fluctuations are associated with different gauge choices. We also demonstrate that the often used homogeneous approximation is unrealistic, and that the so-called dark energy mutation is a trivial artifact of an effective, single fluid description. Finally, we discuss the particular case where the dark energy fluid is nonminimally coupled to dark matter

  19. Au Based Nanocomposites Towards Plasmonic Applications

    Science.gov (United States)

    Panniello, A.; Curri, M. L.; Placido, T.; Reboud, V.; Kehagias, N.; Sotomayor Torres, C. M.; Mecerreyes, D.; Agostiano, A.; Striccoli, M.

    2010-06-01

    Incorporation of nano-sized metals in polymers can transfer their unique features to the host matrix, providing nanocomposite materials with improved optical, electric, magnetic and mechanical properties. In this work, colloidal Au nanorods have been incorporated into PMMA based random co-polymer, properly functionalized with amino groups and the optical and morphological properties of the resulting nanocomposite have been investigated by spectroscopic and AFM measurements. Au nanorods have demonstrated to preserve the plasmon absorption and to retain morphological features upon the incorporation, thus making the final metal modified polymer composite exploitable for the fabrication of plasmonic devices. The prepared nanocomposites have been then patterned by Nano Imprint Lithography technique in order to demonstrate the viability of the materials towards optical applications.

  20. Reactions of mixed silver-gold cluster cations AgmAun+ (m+n=4,5,6) with CO: Radiative association kinetics and density functional theory computations

    Science.gov (United States)

    Neumaier, Marco; Weigend, Florian; Hampe, Oliver; Kappes, Manfred M.

    2006-09-01

    Near thermal energy reactive collisions of small mixed metal cluster cations AgmAun+ (m +n=4, 5, and 6) with carbon monoxide have been studied in the room temperature Penning trap of a Fourier transform ion-cyclotron-resonance mass spectrometer as a function of cluster size and composition. The tetrameric species AgAu3+ and Ag2Au2+ are found to react dissociatively by way of Au or Ag atom loss, respectively, to form the cluster carbonyl AgAu2CO+. In contrast, measurements on a selection of pentamers and hexamers show that CO is added with absolute rate constants that decrease with increasing silver content. Experimentally determined absolute rate constants for CO adsorption were analyzed using the radiative association kinetics model to obtain cluster cation-CO binding energies ranging from 0.77to1.09eV. High-level ab initio density functional theory (DFT) computations identifying the lowest-energy cluster isomers and the respective CO adsorption energies are in good agreement with the experimental findings clearly showing that CO binds in a "head-on" fashion to a gold atom in the mixed clusters. DFT exploration of reaction pathways in the case of Ag2Au2+ suggests that exoergicities are high enough to access the minimum energy products for all reactive clusters probed.

  1. Interaction forces and conduction properties between multi wall carbon nanotube tips and Au(1 1 1)

    Energy Technology Data Exchange (ETDEWEB)

    Luna, M.; Pablo, P.J. de; Colchero, J.; Gomez-Herrero, J.; Baro, A.M.; Tokumoto, H.; Jarvis, S.P

    2003-07-15

    We have studied the interaction forces and electrical conduction properties arising between multiwall carbon nanotube tips and the Au(1 1 1) surface in air, by means of amplitude modulation scanning force microscopy, also called intermittent contact. We have centered our work on tips with metallic electronic structure and for the specific parameters used we have found a preliminary interaction range where there is no contact between tip and surface. Stable imaging in this non-contact range is possible with multiwall carbon nanotube tips. These tips have also been used to obtain simultaneous topographic and current maps of the surface. They show excellent properties as tips due to their high aspect ratio and durability, as a result of their elastic and non-reactive properties. Correspondingly, multiwall carbon nanotube tips allow high resolution local analysis of electrical conductivity on a nanometer scale.

  2. Influence of nanostructure Fe-doped ZnO interlayer on the electrical properties of Au/n-type InP Schottky structure

    Energy Technology Data Exchange (ETDEWEB)

    Padma, R.; Balaram, N.; Reddy, I. Neelakanta; Reddy, V. Rajagopal, E-mail: reddy_vrg@rediffmail.com

    2016-07-01

    The Au/Fe-doped ZnO/n-InP metal/interlayer/semiconductor (MIS) Schottky structure is fabricated with Fe-doped ZnO nanostructure (NS) as an interlayer. The field emission scanning electron microscopy and atomic force microscopy results demonstrated that the surface morphology of the Fe−ZnO NS on n-InP is fairly smooth. The x-ray diffraction results reveal that the average grain size of the Fe−ZnO film is 12.35 nm. The electrical properties of the Au/n-InP metal-semiconductor (MS) and Au/Fe−ZnO NS/n-InP MIS Schottky structures are investigated by current-voltage and capacitance-voltage measurements at room temperature. The Au/Fe−ZnO NS/n-InP MIS Schottky structure has good rectifying ratio with low-leakage current compared to the Au/n-InP MS structure. The barrier height obtained for the MIS structure is higher than those of MS Schottky structure because of the modification of the effective barrier height by the Fe−ZnO NS interlayer. Further, the barrier height, ideality factor and series resistance are determined for the MS and MIS Schottky structures using Norde and Cheung's functions and compared to each other. The estimated interface state density of MIS Schottky structure is lower than that of MS Schottky structure. Experimental results revealed that the Poole-Frenkel emission is the dominant conduction mechanism in the lower bias region whereas Schottky emission is the dominant in the higher bias region for both the Au/n-InP MS and Au/Fe−ZnO NS/n-InP MIS Schottky structures. - Highlights: • Barrier height of Au/n-InP Schottky diode was modified by Fe−ZnO nanostructure interlayer. • MIS structure has a good rectification ratio compared to the MS structure. • The interface state density of MIS structure is lower than that of MS structure. • Poole-Frenkel mechanism is found to dominate in both MS and MIS structure.

  3. Nanomanufacturing of titania interfaces with controlled structural and functional properties by supersonic cluster beam deposition

    International Nuclear Information System (INIS)

    Podestà, Alessandro; Borghi, Francesca; Indrieri, Marco; Bovio, Simone; Piazzoni, Claudio; Milani, Paolo

    2015-01-01

    Great emphasis is placed on the development of integrated approaches for the synthesis and the characterization of ad hoc nanostructured platforms, to be used as templates with controlled morphology and chemical properties for the investigation of specific phenomena of great relevance in interdisciplinary fields such as biotechnology, medicine, and advanced materials. Here, we discuss the crucial role and the advantages of thin film deposition strategies based on cluster-assembling from supersonic cluster beams. We select cluster-assembled nanostructured titania (ns-TiO 2 ) as a case study to demonstrate that accurate control over morphological parameters can be routinely achieved, and consequently, over several relevant interfacial properties and phenomena, like surface charging in a liquid electrolyte, and proteins and nanoparticles adsorption. In particular, we show that the very good control of nanoscale morphology is obtained by taking advantage of simple scaling laws governing the ballistic deposition regime of low-energy, mass-dispersed clusters with reduced surface mobility

  4. Nanomanufacturing of titania interfaces with controlled structural and functional properties by supersonic cluster beam deposition

    Energy Technology Data Exchange (ETDEWEB)

    Podestà, Alessandro, E-mail: alessandro.podesta@mi.infn.it, E-mail: pmilani@mi.infn.it; Borghi, Francesca; Indrieri, Marco; Bovio, Simone; Piazzoni, Claudio; Milani, Paolo, E-mail: alessandro.podesta@mi.infn.it, E-mail: pmilani@mi.infn.it [Centro Interdisciplinare Materiali e Interfacce Nanostrutturati (C.I.Ma.I.Na.), Dipartimento di Fisica, Università degli Studi di Milano, via Celoria 16, 20133 Milano (Italy)

    2015-12-21

    Great emphasis is placed on the development of integrated approaches for the synthesis and the characterization of ad hoc nanostructured platforms, to be used as templates with controlled morphology and chemical properties for the investigation of specific phenomena of great relevance in interdisciplinary fields such as biotechnology, medicine, and advanced materials. Here, we discuss the crucial role and the advantages of thin film deposition strategies based on cluster-assembling from supersonic cluster beams. We select cluster-assembled nanostructured titania (ns-TiO{sub 2}) as a case study to demonstrate that accurate control over morphological parameters can be routinely achieved, and consequently, over several relevant interfacial properties and phenomena, like surface charging in a liquid electrolyte, and proteins and nanoparticles adsorption. In particular, we show that the very good control of nanoscale morphology is obtained by taking advantage of simple scaling laws governing the ballistic deposition regime of low-energy, mass-dispersed clusters with reduced surface mobility.

  5. Nanomanufacturing of titania interfaces with controlled structural and functional properties by supersonic cluster beam deposition

    Science.gov (United States)

    Podestà, Alessandro; Borghi, Francesca; Indrieri, Marco; Bovio, Simone; Piazzoni, Claudio; Milani, Paolo

    2015-12-01

    Great emphasis is placed on the development of integrated approaches for the synthesis and the characterization of ad hoc nanostructured platforms, to be used as templates with controlled morphology and chemical properties for the investigation of specific phenomena of great relevance in interdisciplinary fields such as biotechnology, medicine, and advanced materials. Here, we discuss the crucial role and the advantages of thin film deposition strategies based on cluster-assembling from supersonic cluster beams. We select cluster-assembled nanostructured titania (ns-TiO2) as a case study to demonstrate that accurate control over morphological parameters can be routinely achieved, and consequently, over several relevant interfacial properties and phenomena, like surface charging in a liquid electrolyte, and proteins and nanoparticles adsorption. In particular, we show that the very good control of nanoscale morphology is obtained by taking advantage of simple scaling laws governing the ballistic deposition regime of low-energy, mass-dispersed clusters with reduced surface mobility.

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

    Science.gov (United States)

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

    2017-08-01

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

  7. THE GEMINI/HST CLUSTER PROJECT: STRUCTURAL AND PHOTOMETRIC PROPERTIES OF GALAXIES IN THREE z = 0.28-0.89 CLUSTERS

    International Nuclear Information System (INIS)

    Chiboucas, Kristin; Joergensen, Inger; Barr, Jordi; Collobert, Maela; Davies, Roger; Flint, Kathleen

    2009-01-01

    We present the data processing and analysis techniques we are using to determine the structural and photometric properties of galaxies in our Gemini/HST Galaxy Cluster Project sample. The goal of this study is to understand cluster galaxy evolution in terms of scaling relations and structural properties of cluster galaxies at redshifts 0.15 1/4 law and Sersic function two-dimensional surface brightness profiles to each of the galaxies in our sample. Using simulated galaxies, we test how the assumed profile affects the derived parameters and how the uncertainties affect our Fundamental Plane results. We find that while fitting galaxies that have Sersic index n 1/4 law profiles systematically overestimates the galaxy radius and flux, the combination of profile parameters that enter the Fundamental Plane has uncertainties that are small. Average systematic offsets and associated random uncertainties in magnitude and log r e for n>2 galaxies fitted with r 1/4 law profiles are -0.1 ± 0.3 and 0.1 ± 0.2, respectively. The combination of effective radius and surface brightness, log r e - βlog (I) e , that enters the Fundamental Plane produces offsets smaller than -0.02 ± 0.10. This systematic error is insignificant and independent of galaxy magnitude or size. A catalog of photometry and surface brightness profile parameters is presented for three of the clusters in our sample, RX J0142.0+2131, RX J0152.7-1357, and RX J1226.9+3332 at redshifts 0.28, 0.83, and 0.89, respectively.

  8. Optical sensing properties of Au nanoparticle/hydrogel composite microbeads using droplet microfluidics

    Science.gov (United States)

    Li, Huilin; Men, Dandan; Sun, Yiqiang; Zhang, Tao; Hang, Lifeng; Liu, Dilong; Li, Cuncheng; Cai, Weiping; Li, Yue

    2017-10-01

    Uniform Au nanoparticle (NP)/poly (acrylamide-co-acrylic acid) [P(AAm-co-AA)] hydrogel microbeads were successfully prepared using droplet microfluidics technology. The microbeads exhibited a good stimuli-responsive behavior to pH value. Particularly in the pH value ranging from pH 2-pH 9, the composite microbead sizes gradually increased along with the increase of pH value. The homogeneous Au NPs, which were encapsulated in the P(AAm-co-AA) hydrogel microbeads, could transform the volume changes of hydrogel into optical signals by a tested single microbead with a microspectrometre system. The glucose was translated into gluconic acid by glucose oxidase. Thus, the Au NP/P(AAm-co-AA) hydrogel microbeads were used for detecting glucose based on pH effects on the composite microbeads. For this, the single Au NP/P(AAm-co-AA) hydrogel microbead could act as a good pH- or glucose-visualizing sensor.

  9. High-accuracy coupled cluster calculations of atomic properties

    Energy Technology Data Exchange (ETDEWEB)

    Borschevsky, A. [School of Chemistry, Tel Aviv University, 69978 Tel Aviv, Israel and Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study, Massey University Auckland, Private Bag 102904, 0745 Auckland (New Zealand); Yakobi, H.; Eliav, E.; Kaldor, U. [School of Chemistry, Tel Aviv University, 69978 Tel Aviv (Israel)

    2015-01-22

    The four-component Fock-space coupled cluster and intermediate Hamiltonian methods are implemented to evaluate atomic properties. The latter include the spectra of nobelium and lawrencium (elements 102 and 103) in the range 20000-30000 cm{sup −1}, the polarizabilities of elements 112-114 and 118, required for estimating their adsorption enthalpies on surfaces used to separate them in accelerators, and the nuclear quadrupole moments of some heavy atoms. The calculations on superheavy elements are supported by the very good agreement with experiment obtained for the lighter homologues.

  10. High-accuracy coupled cluster calculations of atomic properties

    International Nuclear Information System (INIS)

    Borschevsky, A.; Yakobi, H.; Eliav, E.; Kaldor, U.

    2015-01-01

    The four-component Fock-space coupled cluster and intermediate Hamiltonian methods are implemented to evaluate atomic properties. The latter include the spectra of nobelium and lawrencium (elements 102 and 103) in the range 20000-30000 cm −1 , the polarizabilities of elements 112-114 and 118, required for estimating their adsorption enthalpies on surfaces used to separate them in accelerators, and the nuclear quadrupole moments of some heavy atoms. The calculations on superheavy elements are supported by the very good agreement with experiment obtained for the lighter homologues

  11. Au and AuCu Nanoparticles Supported on SBA-15 Ordered Mesoporous Titania-Silica as Catalysts for Methylene Blue Photodegradation

    Directory of Open Access Journals (Sweden)

    Isabel Barroso-Martín

    2018-05-01

    Full Text Available The photocatalytic degradation of methylene blue (MB dye has been performed under UV irradiation in aqueous suspension, employing photocatalysts based on Au (1.5 wt % and AuCu (Au/Cu = 1, 2.0 wt %, and supported on SBA-15-ordered mesoporous silica, with and without titania (Si/Ti = 3, in order to evaluate the versatility of this mesoporous support in this type of reaction of great impact from the environmental point of view. Samples were characterized by X-ray diffraction (XRD, transmission electron microscopy (TEM, N2 adsorption-desorption at −196 °C, and X-ray photoelectron spectroscopy (XPS, so as to study their structural, optical, and chemical properties. All the prepared catalysts were found to be active in the test reaction. The bimetallic AuCu-based catalysts attained very high MB degradation values, in particular AuCu/SBA-15 titania-silica sample reached 100% of dye oxidation after the monitored reaction period (120 min.

  12. Effect of Au proximity on the LSMO surface: An ab initio study

    International Nuclear Information System (INIS)

    Petti, D.; Stroppa, A.; Picozzi, S.; Brivio, S.; Cantoni, M.; Bertacco, R.

    2012-01-01

    The effect of the proximity of Au on the electronic and magnetic properties of La 0.66 Sr 0.33 MnO 3 (LSMO) has been investigated by means of ab initio calculations within the density-functional theory. The calculations show an orbital reconstruction of the interfacial Mn, which is due more to the presence of a discontinuity rather than to a real chemical interaction with Au atoms. In fact, the same orbital reconstruction is found in the free LSMO surface. In both cases of Au/LSMO and LSMO surface, the Mn magnetic moments change very little with respect to the bulk case. In general, the calculations show a negligible influence of the Au atomic layer on LSMO at an ideal interface, with the LSMO surface magnetic and electronic properties essentially unchanged. - Highlights: ► Three structures considered: bulk LSMO, Au/LSMO and vacuum LSMO interfaces. ► At the two interfaces the formation of a discontinuity creates an orbital ordering. ► DFT calculations point toward an enhancement of the magnetization at the interface. ► Negligible chemical interaction with gold is seen for a 2D ideal interface. ► Crucial role of the 3D nature of Au on LSMO in depressing LSMO magnetic properties.

  13. Interplay between experiments and calculations for organometallic clusters and caged clusters

    International Nuclear Information System (INIS)

    Nakajima, Atsushi

    2015-01-01

    Clusters consisting of 10-1000 atoms exhibit size-dependent electronic and geometric properties. In particular, composite clusters consisting of several elements and/or components provide a promising way for a bottom-up approach for designing functional advanced materials, because the functionality of the composite clusters can be optimized not only by the cluster size but also by their compositions. In the formation of composite clusters, their geometric symmetry and dimensionality are emphasized to control the physical and chemical properties, because selective and anisotropic enhancements for optical, chemical, and magnetic properties can be expected. Organometallic clusters and caged clusters are demonstrated as a representative example of designing the functionality of the composite clusters. Organometallic vanadium-benzene forms a one dimensional sandwich structure showing ferromagnetic behaviors and anomalously large HOMO-LUMO gap differences of two spin orbitals, which can be regarded as spin-filter components for cluster-based spintronic devices. Caged clusters of aluminum (Al) are well stabilized both geometrically and electronically at Al 12 X, behaving as a “superatom”

  14. Silver- and Zirconium-added ternary and quaternary TiAu based high temperature shape memory alloys

    Energy Technology Data Exchange (ETDEWEB)

    Wadood, A., E-mail: abdul.wadood@ist.edu.pk [High Temperature Materials Unit, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Department of Materials Science and Engineering, Institute of Space Technology (IST), Near Rawat Toll Plaza, Islamabad (Pakistan); Yamabe-Mitarai, Y. [High Temperature Materials Unit, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan)

    2015-10-15

    Low strength in B2 phase, incomplete shape memory effect and high cost of Au are obstacles for the use of Ti–50Au as a high temperature shape memory alloy. We investigated the effects of partial substitution of Ti with Zr and Au with Ag in Ti–Au on phase constitution, phase transformation, and high temperature thermo-mechanical and shape memory properties. Partial substitution of Ti with Zr in Ti–50Au and Ti–40Au–10Ag was found to improve the thermo-mechanical and shape memory effect. However, partial substitution of Au with Ag in Ti–50Au and Ti–50Au–10Zr was found to have negligible effects. Reasons for such different behavior of Zr- and Ag-added Ti–Au alloys are considered. - Highlights: • Au, Ag and Ti, Zr belong to same group. Effects of partial substitution of Au with Ag and Ti with Zr in Ti–Au are investigated. • Zr was found more effective than Ag in improving shape memory and mechanical properties. • Same atomic size of Au and Ag and large size misfit b/w Ti and Zr atoms. • Ag resulted large amount of precipitation in Ti–Au.

  15. Contact-based ligand-clustering approach for the identification of active compounds in virtual screening

    Directory of Open Access Journals (Sweden)

    Mantsyzov AB

    2012-09-01

    Full Text Available Alexey B Mantsyzov,1 Guillaume Bouvier,2 Nathalie Evrard-Todeschi,1 Gildas Bertho11Université Paris Descartes, Sorbonne, Paris, France; 2Institut Pasteur, Paris, FranceAbstract: Evaluation of docking results is one of the most important problems for virtual screening and in silico drug design. Modern approaches for the identification of active compounds in a large data set of docked molecules use energy scoring functions. One of the general and most significant limitations of these methods relates to inaccurate binding energy estimation, which results in false scoring of docked compounds. Automatic analysis of poses using self-organizing maps (AuPosSOM represents an alternative approach for the evaluation of docking results based on the clustering of compounds by the similarity of their contacts with the receptor. A scoring function was developed for the identification of the active compounds in the AuPosSOM clustered dataset. In addition, the AuPosSOM efficiency for the clustering of compounds and the identification of key contacts considered as important for its activity, were also improved. Benchmark tests for several targets revealed that together with the developed scoring function, AuPosSOM represents a good alternative to the energy-based scoring functions for the evaluation of docking results.Keywords: scoring, docking, virtual screening, CAR, AuPosSOM

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

    Science.gov (United States)

    Lin, Qisheng; Miller, Gordon J

    2018-01-16

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

  17. Diffusion and solubility of Au implanted into the AZ1350 photoresist

    International Nuclear Information System (INIS)

    Soares, M.R.F.; Kaschny, J.R.A.; Santos, J.H.R. dos; Amaral, L.; Behar, M.; Fink, D.

    2000-01-01

    In the present paper we report diffusion and solubility results for Au into the photoresist AZ1350. Au was implanted into AZ1350 films at very low energy (E=20 keV) and fluences (PHI=10 12 and 5x10 12 Au/cm 2 ). In this way the radiation damage introduced by the implantation process was minimized and cluster formation was avoided. Annealing was performed in the 150-300 deg. C temperature range and the as implanted and thermal treated samples were analyzed using the Rutherford backscattering (RBS) technique. For the lowest implantation fluence the results have shown a regular atomic diffusion process characterized by an activation energy of E a =640 meV. Instead, for PHI=5x10 12 Au/cm 2 the diffusional mechanism has revealed the effects of the radiation damage. In addition solubility measurements indicate that the solubility limit at 250 deg. C is of the order 0.3 at.%

  18. Lead Telluride Doped with Au as a Very Promising Material for Thermoelectric Applications

    Directory of Open Access Journals (Sweden)

    Pantelija M. Nikolic

    2015-01-01

    Full Text Available PbTe single crystals doped with monovalent Au or Cu were grown using the Bridgman method. Far infrared reflectivity spectra were measured at room temperature for all samples and plasma minima were registered. These experimental spectra were numerically analyzed and optical parameters were calculated. All the samples of PbTe doped with Au or Cu were of the “n” type. The properties of these compositions were analyzed and compared with PbTe containing other dopants. The samples of PbTe doped with only 3.3 at% Au were the best among the PbTe + Au samples having the lowest plasma frequency and the highest mobility of free carriers-electrons, while PbTe doped with Cu was the opposite. Samples with the lowest Cu concentration of 0.23 at% Cu had the best properties. Thermal diffusivity and electronic transport properties of the same PbTe doped samples were also investigated using a photoacoustic (PA method with the transmission detection configuration. The results obtained with the far infrared and photoacoustic characterization of PbTe doped samples were compared and discussed. Both methods confirmed that when PbTe was doped with 3.3 at% Au, thermoelectric and electrical properties of this doped semiconductor were both significantly improved, so Au as a dopant in PbTe could be used as a new high quality thermoelectric material.

  19. Morphological Characteristics of Au Films Deposited on Ti: A Combined SEM-AFM Study

    Directory of Open Access Journals (Sweden)

    Francesco Ruffino

    2018-03-01

    Full Text Available Deposited Au films and coatings are, nowadays, routinely used as active or passive elements in several innovative electronic, optoelectronic, sensing, and energy devices. In these devices, the physical properties of the Au films are strongly determined by the films nanoscale structure. In addition, in these devices, often, a layer of Ti is employed to promote adhesion and, so, influencing the nanoscale structure of the deposited Au film. In this work, we present experimental analysis on the nanoscale cross-section and surface morphology of Au films deposited on Ti. In particular, we sputter-deposited thick (>100 nm thickness Au films on Ti foils and we used Scanning Electron Microscopy to analyze the films cross-sectional and surface morphology as a function of the Au film thickness and deposition angle. In addition, we analyzed the Au films surface morphology by Atomic Force Microscopy which allowed quantifying the films surface roughness versus the film thickness and deposition angle. The results establish a relation between the Au films cross-sectional and surface morphologies and surface roughness to the film thickness and deposition angle. These results allow setting a general working framework to obtain Au films on Ti with specific morphological and topographic properties for desired applications in which the Ti adhesion layer is needed for Au.

  20. Do stellar clusters form fewer binaries? Using moderate separation binaries to distinguish between nature and nurture

    Science.gov (United States)

    Reiter, Megan

    2017-08-01

    Fewer wide-separation binaries are found in dense stellar clusters than in looser stellar associations. It is therefore unclear whether feedback in clusters prevents the formation of multiple systems or dynamical interactions destroy them. Measuring the prevalence of close, bound binary systems provide a key test to distinguish between these possibilities. Systems with separations of 10-50 AU will survive interactions in the cluster environment, and therefore are more representative of the natal population of multiple systems. By fitting a double-star PSF, we will identify visual binaries in the Orion Nebula with separations as small as 0.03. At the distance of Orion, this corresponds to a physical separation of 12 AU, effectively closing the observational gap in the binary separation distribution left between known visual and spectroscopic binaries (>65 AU or PhD thesis.

  1. Condensation and dissociation rates for gas phase metal clusters from molecular dynamics trajectory calculations

    Science.gov (United States)

    Yang, Huan; Goudeli, Eirini; Hogan, Christopher J.

    2018-04-01

    In gas phase synthesis systems, clusters form and grow via condensation, in which a monomer binds to an existing cluster. While a hard-sphere equation is frequently used to predict the condensation rate coefficient, this equation neglects the influences of potential interactions and cluster internal energy on the condensation process. Here, we present a collision rate theory-molecular dynamics simulation approach to calculate condensation probabilities and condensation rate coefficients. We use this approach to examine atomic condensation onto 6-56-atom Au and Mg clusters. The probability of condensation depends upon the initial relative velocity (v) between atom and cluster and the initial impact parameter (b). In all cases, there is a well-defined region of b-v space where condensation is highly probable, and outside of which the condensation probability drops to zero. For Au clusters with more than 10 atoms, we find that at gas temperatures in the 300-1200 K range, the condensation rate coefficient exceeds the hard-sphere rate coefficient by a factor of 1.5-2.0. Conversely, for Au clusters with 10 or fewer atoms and for 14- and 28-atom Mg clusters, as cluster equilibration temperature increases, the condensation rate coefficient drops to values below the hard-sphere rate coefficient. Calculations also yield the self-dissociation rate coefficient, which is found to vary considerably with gas temperature. Finally, calculations results reveal that grazing (high b) atom-cluster collisions at elevated velocity (>1000 m s-1) can result in the colliding atom rebounding (bounce) from the cluster surface or binding while another atom dissociates (replacement). The presented method can be applied in developing rate equations to predict material formation and growth rates in vapor phase systems.

  2. Shape of collective flow in highly central Au(150 A MeV)+Au collisions

    International Nuclear Information System (INIS)

    Roy, C.; Kuhn, C.; Coffin, J.P.; Crochet, P.; Fintz, P.; Guillaume, G.; Jundt, F.; Maazouzi, C.; Rami, F.; Tizniti, L.; Wagner, P.; Alard, J.P.; Amouroux, V.; Basrak, Z.; Bastid, N.; Belyaev, I.; Best, D.; Biegansky, J.; Buta, A.; Caplar, R.; Cindro, N.; Dona, R.; Dupieux, P.; Dzelalija, M.; Fan, Z.G.; Fodor, Z.; Fraysse, L.; Gobbi, A.; Herrmann, N.; Hildenbrand, K.D.; Hoelbling, S.; Hong, B.; Jeong, S.C.; Kecskemeti, J.; Kirejczyk, M.; Koncz, P.; Korchagin, Y.; Kotte, R.; Lebedev, A.; Legrand, I.; Leifels, Y.; Manko, V.; Mgebrishvili, G.; Moisa, D.; Moesner, J.; Neubert, W.; Pelte, D.; Petrovici, M.; Pinkenburg, C.; Pras, P.; Reisdorf, W.; Ritman, J.L.; Sadchikov, A.G.; Schuell, D.; Seres, Z.; Sikora, B.; Simion, V.; Smolyankin, V.; Sodan, U.; Trzaska, M.; Vasiliev, M.; Wang, G.S.; Wessels, J.P.; Wienold, T.; Wohlfarth, D.; Zhilin, A.; Konopka, J.; Stoecker, H.

    1997-01-01

    Using the FOPI facility at GSI, charged particles (1≤Z≤6) produced in the Au(150 A MeV)+Au reaction have been measured at laboratory angles 1.2 0 lab 0 . Highly central collisions have been selected with two criteria, both dealing with the longitudinal and transverse degrees of freedom of the reaction. The relevance of this selection method is supported by QMD calculations which indicate that such criteria are able to select mean impact parameters less than 2 fm. Bias effects introduced by the criteria have been evaluated. The centre-of-mass polar angle distributions of low energy clusters emitted in these central collisions, have been extracted: the intensity ratio deduced for a transverse to longitudinal emission is found to be R=1.4 +0.2 -0.4 . Model comparisons using QMD are presented. The value of R appears to depend sensitively on the nucleon-nucleon cross section, σ nn . Within this model, a value of σ nn =25±5 mb is derived. (orig.). With 2 figs

  3. Evaluation of secondary ion yield enhancement from polymer material by using TOF-SIMS equipped with a gold cluster ion source

    Energy Technology Data Exchange (ETDEWEB)

    Aimoto, K. [Department of Applied Physics, Faculty of Engineering, Seikei University, 3-3-1 Kichijioji-Kitamachi, Musashino-shi, Tokyo 180-8633 (Japan)]. E-mail: dm053502@cc.seikei.ac.jp; Aoyagi, S. [Department of Regional Development, Faculty of Life and Environmental Science, Shimane University, 1060 Nishikawatsu-cho, Matsue-shi, Shimane 690-8504 (Japan); Kato, N. [Department of Applied Physics, Faculty of Engineering, Seikei University, 3-3-1 Kichijioji-Kitamachi, Musashino-shi, Tokyo 180-8633 (Japan); Iida, N. [ULVAC-PHI, Inc., 370 Enzo, Chigasaki, Kanagawa 253-0084 (Japan); Yamamoto, A. [ULVAC-PHI, Inc., 370 Enzo, Chigasaki, Kanagawa 253-0084 (Japan); Kudo, M. [Department of Applied Physics, Faculty of Engineering, Seikei University, 3-3-1 Kichijioji-Kitamachi, Musashino-shi, Tokyo 180-8633 (Japan)

    2006-07-30

    We investigated the enhancement of the secondary ion intensity in the TOF-SIMS spectra obtained by Au{sup +} and Au{sub 3} {sup +} bombardment in comparison with Ga{sup +} excitation using polymer samples with different molecular weight distributions. Since the polymer samples used in this experiment have a wide molecular weight distribution, the advantages of the gold cluster primary ion source over monoatomic ion could accurately be evaluated. It was observed that the degree of fragmentation decreased by the usage of cluster primary ion beam compared with monoatomic ion beam, which was observed as a shift of the intensity distribution in the spectra. It was also found out that the mass effect of Au{sup +} and Ga{sup +} as monoatomic primary ion, resulted in about 10-60 times of enhancement for both samples with different molecular distributions. On the other hand, the Au{sub 3} {sup +} bombardment caused intensity enhancement about 100-2600 compared with Ga{sup +} bombardment, depending on the mass range of the detected secondary ion species. The cluster primary ion effect of Au{sub 3} {sup +}, compared with Au{sup +}, therefore, was estimated to be about 10-45.

  4. Tailoring the properties of magnetite nanoparticles clusters by coating with double inorganic layers

    Energy Technology Data Exchange (ETDEWEB)

    Petran, Anca [National Institute for Research and Development of Isotopic and Molecular Technologies, 67-103 Donat Str., 400293 Cluj-Napoca (Romania); Radu, Teodora, E-mail: teodora.radu@itim-cj.ro [National Institute for Research and Development of Isotopic and Molecular Technologies, 67-103 Donat Str., 400293 Cluj-Napoca (Romania); Culic, Bogdan [Faculty of Dental Medicine,Iuliu Hatieganu University of Medicine and Pharmacy, 32 Clinicilor Str., 400006 Cluj-Napoca (Romania); Turcu, Rodica, E-mail: rodica.turcu@itim-cj.ro [National Institute for Research and Development of Isotopic and Molecular Technologies, 67-103 Donat Str., 400293 Cluj-Napoca (Romania)

    2016-12-30

    Highlights: • New magnetite clusters covered with inorganic oxides double layers. • Coating layers influence on the surface properties of the magnetic clusters. • Color parameters assessment for the inorganic oxides coated magnetic clusters. • High magnetization clusters with appropiate color for magnetic security paper. - Abstract: New magnetic nanoparticles based on Fe{sub 3}O{sub 4} clusters covered with a double layer of inorganic salts/oxides with high magnetization for incorporation in security materials such as security paper were synthesized. For the inorganic layers ZnO, SiO{sub 2} and BaSO{sub 4} were used. The microstructure and composition of the products were determined by scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDX) and X-ray photoelectron spectroscopy (XPS). Magnetization measurements on the obtained samples show a straightforward correlation between the saturation magnetization (M{sub s}) and morphology of the samples. The results obtained from color parameter assessment are discussed in relation with the morphology and microstructure of the prepared samples.

  5. Communication: CO oxidation by silver and gold cluster cations: Identification of different active oxygen species

    International Nuclear Information System (INIS)

    Popolan, Denisia M.; Bernhardt, Thorsten M.

    2011-01-01

    The oxidation of carbon monoxide with nitrous oxide on mass-selected Au 3 + and Ag 3 + clusters has been investigated under multicollision conditions in an octopole ion trap experiment. The comparative study reveals that for both gold and silver cations carbon dioxide is formed on the clusters. However, whereas in the case of Au 3 + the cluster itself acts as reactive species that facilitates the formation of CO 2 from N 2 O and CO, for silver the oxidized clusters Ag 3 O x + (n= 1-3) are identified as active in the CO oxidation reaction. Thus, in the case of the silver cluster cations N 2 O is dissociated and one oxygen atom is suggested to directly react with CO, whereas a second kind of oxygen strongly bound to silver is acting as a substrate for the reaction.

  6. Communication: CO oxidation by silver and gold cluster cations: Identification of different active oxygen species

    Science.gov (United States)

    Popolan, Denisia M.; Bernhardt, Thorsten M.

    2011-03-01

    The oxidation of carbon monoxide with nitrous oxide on mass-selected Au3+ and Ag3+ clusters has been investigated under multicollision conditions in an octopole ion trap experiment. The comparative study reveals that for both gold and silver cations carbon dioxide is formed on the clusters. However, whereas in the case of Au3+ the cluster itself acts as reactive species that facilitates the formation of CO2 from N2O and CO, for silver the oxidized clusters Ag3Ox+ (n = 1-3) are identified as active in the CO oxidation reaction. Thus, in the case of the silver cluster cations N2O is dissociated and one oxygen atom is suggested to directly react with CO, whereas a second kind of oxygen strongly bound to silver is acting as a substrate for the reaction.

  7. Water-Soluble Phosphine-Protected Au₁₁ Clusters: Synthesis, Electronic Structure, and Chiral Phase Transfer in a Synergistic Fashion.

    Science.gov (United States)

    Yao, Hiroshi; Iwatsu, Mana

    2016-04-05

    Synthesis of atomically precise, water-soluble phosphine-protected gold clusters is still currently limited probably due to a stability issue. We here present the synthesis, magic-number isolation, and exploration of the electronic structures as well as the asymmetric conversion of triphenylphosphine monosulfonate (TPPS)-protected gold clusters. Electrospray ionization mass spectrometry and elemental analysis result in the primary formation of Au11(TPPS)9Cl undecagold cluster compound. Magnetic circular dichroism (MCD) spectroscopy clarifies that extremely weak transitions are present in the low-energy region unresolved in the UV-vis absorption, which can be due to the Faraday B-terms based on the magnetically allowed transitions in the cluster. Asymmetric conversion without changing the nuclearity is remarkable by the chiral phase transfer in a synergistic fashion, which yields a rather small anisotropy factor (g-factor) of at most (2.5-7.0) × 10(-5). Quantum chemical calculations for model undecagold cluster compounds are then used to evaluate the optical and chiroptical responses induced by the chiral phase transfer. On this basis, we find that the Au core distortion is ignorable, and the chiral ion-pairing causes a slight increase in the CD response of the Au11 cluster.

  8. Uniform formation of Au coated polystyrene core-shell structure using metallization process

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Kyoungseob; Koo, Jonghyun; Roh, Yonghan, E-mail: yhroh@skku.edu

    2011-08-01

    There are several methods for the fabrication of core-shell particles, including chemical reduction and self-assembly. In this study, the chemical reduction method was used to fabricate 100 nm, Au-coated polystyrene nanoparticles. The formation of the gold layer was based on the increase of gold coverage by the reaction with aniline and HAuCl{sub 4}. This method allowed for efficient control of the gold coverage and led to relatively stable products. The formation of Au clusters on the surface of the 100 nm polystyrene beads was characterized by scanning electron microscope and high resolution tunneling electron microscope. As a result, the Au-coated nanoparticles can be used in various applications such as surface plasmon resonators, drug delivery systems and electronic optical devices.

  9. Properties of Au nanolayers on polyethyleneterephthalate and polytetrafluoroethylene

    Czech Academy of Sciences Publication Activity Database

    Slepička, P.; Kolská, Z.; Náhlík, J.; Hnatowicz, Vladimír; Švorčík, V.

    2009-01-01

    Roč. 41, č. 9 (2009), s. 741-745 ISSN 0142-2421 R&D Projects: GA MŠk(CZ) LC06041; GA ČR GA106/09/0125 Institutional research plan: CEZ:AV0Z10480505 Keywords : polymer * plasma treatment * Au nanolayer Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 0.998, year: 2009

  10. The nature and role of the gold-krypton interactions in small neutral gold clusters.

    Science.gov (United States)

    Mancera, Luis A; Benoit, David M

    2015-03-26

    We investigate the nature and role of krypton embedding in small neutral gold clusters. For some of these clusters, we observe a particular site-dependent character of the Kr binding that does not completely follow the criterion of binding at low-coordinated sites, widely accepted for interaction of a noble gas with closed-shell metal systems such as metal surfaces. We aim at understanding the effect of low dimensionality and open-shell electronic structure of the odd-numbered clusters on the noble gas-metal cluster interaction. First, we investigate the role of attractive and repulsive forces, and the frontier molecular orbitals. Second, we investigate the Au-Kr interaction in terms of reactivity and bonding character. We use a reactivity index derived from Fukui formalism, and criteria provided by the electron localization function (ELF), in order to classify the type of bonding. We carry out this study on the minimum energy structures of neutral gold clusters, as obtained using pseudo potential plane-wave density functional theory (DFT). A model is proposed that includes the effect of attractive electrostatic, van der Waals and repulsive forces, together with effects originating from orbital overlap. This satisfactorily explains minimum configurations of the noble gas-gold cluster systems, the site preference of the noble gas atoms, and changes in electronic properties.

  11. Fluorescent Thiol-Derivatized Gold Clusters Embedded in Polymers

    Directory of Open Access Journals (Sweden)

    G. Carotenuto

    2013-01-01

    Full Text Available Owing to aurophilic interactions, linear and/or planar Au(I-thiolate molecules spontaneously aggregate, leading to molecular gold clusters passivated by a thiolate monolayer coating. Differently from the thiolate precursors, such cluster compounds show very intensive visible fluorescence characteristics that can be tuned by alloying the gold clusters with silver atoms or by conjugating the electronic structure of the metallic core with unsaturated electronic structures in the organic ligand through the sulphur atom. Here, the photoluminescence features of some examples of these systems are shortly described.

  12. Ion beam induced nanosized Ag metal clusters in glass

    International Nuclear Information System (INIS)

    Mahnke, H.-E.; Schattat, B.; Schubert-Bischoff, P.; Novakovic, N.

    2006-01-01

    Silver metal clusters have been formed in soda lime glass by high-energy heavy-ion irradiation at ISL. The metal cluster formation was detected with X-ray absorption spectroscopy (EXAFS) in fluorescence mode, and the shape of the clusters was imaged with transmission electron microscopy. While annealing in reducing atmosphere alone, leads to the formation of metal clusters in Ag-containing glasses, where the Ag was introduced by ion-exchange, such clusters are not very uniform in size and are randomly distributed over the Ag-containing glass volume. Irradiation with 600-MeV Au ions followed by annealing, however, results in clusters more uniform in size and arranged in chains parallel to the direction of the ion beam

  13. Energy Lossand Flow of Heavy Quarks in Au+Au Collisions at root-s=200GeV

    Energy Technology Data Exchange (ETDEWEB)

    Soltz, R; Klay, J; Enokizono, A; Newby, J; Heffner, M; Hartouni, E

    2007-02-26

    The PHENIX experiment at the Relativistic Heavy Ion Collider (RHIC) has measured electrons with 0.3 < p{sub rmT} < 9 GeV/c at midrapidity (|y| < 0.35) from heavy flavor (charm and bottom) decays in Au+Au collisions at {radical}s{sub NN} = 200 GeV. The nuclear modification factor R{sub AA} relative to p+p collisions shows a strong suppression in central Au+Au collisions, indicating substantial energy loss of heavy quarks in the medium produced at RHIC energies. A large azimuthal anisotropy, v{sub 2}, with respect to the reaction plane is observed for 0.5 < p{sub rmT} < 5 GeV/c indicating non-zero heavy flavor elliptic flow. A simultaneous description of R{sub AA}(p{sub rmT}) and v{sub 2}(p{sub rmT}) constrains the existing models of heavy-quark rescattering in strongly interacting matter and provides information on the transport properties of the produced medium. In particular, a viscosity to entropy density ratio close to the conjectured quantum lower bound, i.e. near a perfect fluid, is suggested.

  14. Synthesis of gold nanoparticles on multi-walled carbon nanotubes (Au-MWCNTs) via deposition precipitation method

    Science.gov (United States)

    Zulikifli, Farah Wahida Ahmad; Yazid, Hanani; Halim, Muhammad Zikri Budiman Abdul; Jani, Abdul Mutalib Md

    2017-09-01

    Carbon nanotubes (CNTs) have received impressive consideration as support materials of noble metal catalysts in heterogeneous catalysis due to their good mechanical strength, large surface area and good durability under harsh conditions. The interaction between CNTs and noble metal nanoparticles (NPs) gives an unusual unique microstructure properties and or modification of the electron density of the noble metal clusters, and enhances the catalytic activity. In this study, the MWCNTs were first treated with a mixture of concentrated sulfuric and nitric acid by sonication to improve its dispersibility and to introduce the carboxylic (-COOH) groups on CNTs surfaces. Gold nanoparticles (Au NPs) on multiwalled carbon nanotubes (MWCNTs) were synthesized by the deposition precipitation (DP) method as this method is simpler, low cost, and excellent method. Then, the effect of reducing agent (NaBH4) on gold distribution on the support of MWCNTs was also studied. Dispersion test, Fourier Transform Infrared spectroscopy (FTIR) and Field Emission Scanning Electron Microscope (FESEM) are all used to characterize the functionalized MWCNTs (fCNTs) and the Au NPs-fCNTs catalyst. There are three important peaks in functionalized MWCNTs which correspond to C=O, O-H, and C-O absorption peaks, as a result of the oxidation of COOH groups on the surface of CNTs. The absorption band at 1717 cm-1 is corresponded to C=O stretching of COOH, while the absorption bands at 3384 cm-1 and 1011cm-1 are associated with O-H bending and C-O stretching, respectively. Surface morphology of Au NPs-fCNTs R4 and Au NPs- fCNTs WR catalyst by FESEM showed that the Au NPs of 19.22 ± 2.33 nm and 23.05 ± 2.57 nm size were successfully deposited on CNTs, respectively.

  15. Au nanorice assemble electrolytically into mesostars.

    Science.gov (United States)

    Bardhan, Rizia; Neumann, Oara; Mirin, Nikolay; Wang, Hui; Halas, Naomi J

    2009-02-24

    Star-shaped mesotructures are formed when an aqueous suspension of Au nanorice particles, which consist of prolate hematite cores and a thin Au shell, is subjected to an electric current. The nanorice particles assemble to form hyperbranched micrometer-scale mesostars. To our knowledge, this is the first reported observation of nanoparticle assembly into larger ordered structures under the influence of an electrochemical process (H(2)O electrolysis). The assembly is accompanied by significant modifications in the morphology, dimensions, chemical composition, crystallographic structure, and optical properties of the constituent nanoparticles.

  16. Dual effects of water vapor on ceria-supported gold clusters.

    Science.gov (United States)

    Li, Zhimin; Li, Weili; Abroshan, Hadi; Ge, Qingjie; Li, Gao; Jin, Rongchao

    2018-04-05

    Atomically precise nanocatalysts are currently being intensely pursued in catalysis research. Such nanocatalysts can serve as model catalysts for gaining fundamental insights into catalytic processes. In this work we report a discovery that water vapor provokes the mild removal of surface long-chain ligands on 25-atom Au25(SC12H25)18 nanoclusters in a controlled manner. Using the resultant Au25(SC12H25)18-x/CeO2 catalyst and CO oxidation as a probe reaction, we found that the catalytic activity of cluster/CeO2 is enhanced from nearly zero conversion of CO (in the absence of water) to 96.2% (in the presence of 2.3 vol% H2O) at the same temperature (100 °C). The cluster catalysts exhibit high stability during the CO oxidation process under moisture conditions (up to 20 vol% water vapor). Water vapor plays a dual role in gold cluster-catalyzed CO oxidation. FT-IR and XPS analyses in combination with density functional theory (DFT) simulations suggest that the "-SC12H25" ligands are easier to be removed under a water vapor atmosphere, thus generating highly active sites. Moreover, the O22- peroxide species constitutes the active oxygen species in CO oxidation, evidenced by Raman spectroscopy analysis and isotope experiments on the CeO2 and cluster/CeO2. The results also indicate the perimeter sites of the interface of Au25(SC12H25)18-x/CeO2 to be active sites for catalytic CO oxidation. The controlled exposure of active sites under mild conditions is of critical importance for the utilization of clusters in catalysis.

  17. One-pot nucleation, growth, morphogenesis, and passivation of 1.4 nm Au nanoparticles on self-assembled rosette nanotubes.

    Science.gov (United States)

    Chhabra, Rahul; Moralez, Jesus G; Raez, Jose; Yamazaki, Takeshi; Cho, Jae-Young; Myles, Andrew J; Kovalenko, Andriy; Fenniri, Hicham

    2010-01-13

    A one-pot strategy for the nucleation, growth, morphogenesis, and passivation of 1.4 nm Au nanoparticles (NPs) on self-assembled rosette nanotubes (RNTs) is described. Tapping-mode atomic force microscopy, transmission electron microscopy, energy-dispersive X-ray analysis, and selected-area electron diffraction were used to establish the structure and organization of this hybrid material. Notably, we found that the Au NPs formed were nearly monodisperse clusters of Au(55) (1.4-1.5 nm) nestled in pockets on the RNT surface.

  18. TiO2 Films Modified with Au Nanoclusters as Self-Cleaning Surfaces under Visible Light

    Directory of Open Access Journals (Sweden)

    Ting-Wei Liao

    2018-01-01

    Full Text Available In this study, we applied cluster beam deposition (CBD as a new approach for fabricating efficient plasmon-based photocatalytic materials. Au nanoclusters (AuNCs produced in the gas phase were deposited on TiO2 P25-coated silicon wafers with coverage ranging from 2 to 8 atomic monolayer (ML equivalents. Scanning Electron Microscopy (SEM images of the AuNCs modified TiO2 P25 films show that the surface is uniformly covered by the AuNCs that remain isolated at low coverage (2 ML, 4 ML and aggregate at higher coverage (8 ML. A clear relationship between AuNCs coverage and photocatalytic activity towards stearic acid photo-oxidation was measured, both under ultraviolet and green light illumination. TiO2 P25 covered with 4 ML AuNCs showed the best stearic acid photo-oxidation performance under green light illumination (Formal Quantum Efficiency 1.6 × 10−6 over a period of 93 h. These results demonstrate the large potential of gas-phase AuNCs beam deposition technology for the fabrication of visible light active plasmonic photocatalysts.

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

    Directory of Open Access Journals (Sweden)

    Xiangyou Wang

    2013-04-01

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

  20. Effect of Refractive Index of Substrate on Fabrication and Optical Properties of Hybrid Au-Ag Triangular Nanoparticle Arrays

    Directory of Open Access Journals (Sweden)

    Jing Liu

    2015-05-01

    Full Text Available In this study, the nanosphere lithography (NSL method was used to fabricate hybrid Au-Ag triangular periodic nanoparticle arrays. The Au-Ag triangular periodic arrays were grown on different substrates, and the effect of the refractive index of substrates on fabrication and optical properties was systematically investigated. At first, the optical spectrum was simulated by the discrete dipole approximation (DDA numerical method as a function of refractive indexes of substrates and mediums. Simulation results showed that as the substrates had the refractive indexes of 1.43 (quartz and 1.68 (SF5 glass, the nanoparticle arrays would have better refractive index sensitivity (RIS and figure of merit (FOM. Simulation results also showed that the peak wavelength of the extinction spectra had a red shift when the medium’s refractive index n increased. The experimental results also demonstrated that when refractive indexes of substrates were 1.43 and 1.68, the nanoparticle arrays and substrate had better adhesive ability. Meanwhile, we found the nanoparticles formed a large-scale monolayer array with the hexagonally close-packed structure. Finally, the hybrid Au-Ag triangular nanoparticle arrays were fabricated on quartz and SF5 glass substrates and their experiment extinction spectra were compared with the simulated results.

  1. Electronic structure, magnetic properties, and microstructural analysis of thiol-functionalized Au nanoparticles: role of chemical and structural parameters in the ferromagnetic behaviour

    Energy Technology Data Exchange (ETDEWEB)

    Guerrero, Estefania; Munoz-Marquez, Miguel A., E-mail: miguel.angel@icmse.csic.e [Instituto de Ciencia de Materiales de Sevilla (CSIC-US) (Spain); Fernandez-Pinel, Enrique; Crespo, Patricia; Hernando, Antonio [Instituto de Magnetismo Aplicado (UCM-ADIF-CSIC) (Spain); Fernandez, Asuncion [Instituto de Ciencia de Materiales de Sevilla (CSIC-US) (Spain)

    2008-12-15

    Gold nanoparticles (NPs) have been stabilized with a variety of thiol-containing molecules in order to change their chemical and physical properties; among the possible capping systems, alkane chains with different lengths, a carboxylic acid and a thiol-containing biomolecule (tiopronin) have been selected as protecting shells for the synthesized NPs; the NPs solubility in water or organic solvents is determined by the protecting molecule. A full microstructural characterization of these NPs is presented in the current research work. It has been shown that NPs capped with alkanethiol chains have a marked ferromagnetic behaviour which might also be dependent on the chain length. The simultaneous presence of Au-Au and Au-S bonds together with a reduced particle diameter, and the formation of an ordered monolayer protective shell, have proved to be key parameters for the ferromagnetic-like behaviour exhibited by thiol-functionalized gold NPs.

  2. Synthesis and Optical Properties of a Dithiolate/Phosphine-Protected Au28 Nanocluster

    KAUST Repository

    Aljuhani, Maha A.

    2016-12-17

    While monothiols and simple phosphines are commonly exploited for size-controlled synthesis of atomically precise gold nanoclusters (NCs), dithiols or dithiol-phosphine combinations are seldom applied. Herein, we used a dithiol (benzene-1,3-dithiol, BDT) and a phosphine (triphenylphosphine, TPP) together as ligands and synthesized an atomically precise gold NC with the formula [Au28(BDT)4(TPP)9]2+. This NC exhibited multiple absorption features and a charge of +2, which are distinctly different from the reported all-thiolated [Au28(SR)20]0 NC (SR: monothiolate). The composition of [Au28(BDT)4(TPP)9]2+ NC was deduced from high-resolution electrospray ionization mass spectrometry (ESI MS) and it was further corroborated by thermogravimetric analysis (TGA). Differential pulse voltammetry (DPV) revealed a HOMO–LUMO gap of 1.27 eV, which is in good agreement with the energy gap of 1.3 eV obtained from its UV–vis spectrum. The successful synthesis of atomically precise, dithiol-protected Au28 NC would stimulate theoretical and experimental research into bidentate ligands as a new path for expanding the library of different metal NCs, which have so far been dominated by monodentate thiols.

  3. Au sensitized ZnO nanorods for enhanced liquefied petroleum gas sensing properties

    International Nuclear Information System (INIS)

    Nakate, U.T.; Bulakhe, R.N.; Lokhande, C.D.; Kale, S.N.

    2016-01-01

    Highlights: • We studied ZnO nanorods film for liquefied petroleum gas (LPG) sensing. • The Au sensitization on ZnO nanorods gives improved LPG sensing response. • The Au–ZnO shows 48% LPG response for 1040 ppm with fast response time of 50 S. • We proposed schematic for sensing mechanism using band diagram. - Abstract: The zinc oxide (ZnO) nanorods have grown on glass substrate by spray pyrolysis deposition (SPD) method using zinc acetate solution. The phase formation, surface morphology and elemental composition of ZnO films have been investigated using X-ray diffraction, field emission scanning electron microscopy (FE-SEM), atomic force microscopy (AFM) and energy dispersive X-ray (EDX) techniques. The liquefied petroleum gas (LPG) sensing response was remarkably improved by sensitization of gold (Au) surface noble metal on ZnO nanorods film. Maximum LPG response of 21% was observed for 1040 ppm of LPG, for pure ZnO nanorods sample. After Au sensitization on ZnO nanorods film sample, the LPG response greatly improved up to 48% at operating temperature 623 K. The improved LPG response is attributed Au sensitization with spill-over mechanism. Proposed model for LPG sensing mechanism discussed.

  4. Au sensitized ZnO nanorods for enhanced liquefied petroleum gas sensing properties

    Energy Technology Data Exchange (ETDEWEB)

    Nakate, U.T., E-mail: umesh.nakate@gmail.com [Department of Applied Physics, Defence Institute of Advanced Technology, Deemed University, Pune 411025 (India); Bulakhe, R.N.; Lokhande, C.D. [Department of Physics, Thin films Physics Laboratory, Shivaji University Kolhapur 416004 (India); Kale, S.N. [Department of Applied Physics, Defence Institute of Advanced Technology, Deemed University, Pune 411025 (India)

    2016-05-15

    Highlights: • We studied ZnO nanorods film for liquefied petroleum gas (LPG) sensing. • The Au sensitization on ZnO nanorods gives improved LPG sensing response. • The Au–ZnO shows 48% LPG response for 1040 ppm with fast response time of 50 S. • We proposed schematic for sensing mechanism using band diagram. - Abstract: The zinc oxide (ZnO) nanorods have grown on glass substrate by spray pyrolysis deposition (SPD) method using zinc acetate solution. The phase formation, surface morphology and elemental composition of ZnO films have been investigated using X-ray diffraction, field emission scanning electron microscopy (FE-SEM), atomic force microscopy (AFM) and energy dispersive X-ray (EDX) techniques. The liquefied petroleum gas (LPG) sensing response was remarkably improved by sensitization of gold (Au) surface noble metal on ZnO nanorods film. Maximum LPG response of 21% was observed for 1040 ppm of LPG, for pure ZnO nanorods sample. After Au sensitization on ZnO nanorods film sample, the LPG response greatly improved up to 48% at operating temperature 623 K. The improved LPG response is attributed Au sensitization with spill-over mechanism. Proposed model for LPG sensing mechanism discussed.

  5. The adsorption of helium atoms on small cationic gold clusters.

    Science.gov (United States)

    Goulart, Marcelo; Gatchell, Michael; Kranabetter, Lorenz; Kuhn, Martin; Martini, Paul; Gitzl, Norbert; Rainer, Manuel; Postler, Johannes; Scheier, Paul; Ellis, Andrew M

    2018-04-04

    Adducts formed between small gold cluster cations and helium atoms are reported for the first time. These binary ions, Aun+Hem, were produced by electron ionization of helium nanodroplets doped with neutral gold clusters and were detected using mass spectrometry. For a given value of n, the distribution of ions as a function of the number of added helium atoms, m, has been recorded. Peaks with anomalously high intensities, corresponding to so-called magic number ions, are identified and interpreted in terms of the geometric structures of the underlying Aun+ ions. These features can be accounted for by planar structures for Aun+ ions with n ≤ 7, with the addition of helium having no significant effect on the structures of the underlying gold cluster ions. According to ion mobility studies and some theoretical predictions, a 3-D structure is expected for Au8+. However, the findings for Au8+ in this work are more consistent with a planar structure.

  6. Rapid Synthesis of Highly Monodisperse Au x Ag 1− x Alloy Nanoparticles via a Half-Seeding Approach

    KAUST Repository

    Chng, Ting Ting

    2011-05-03

    Gold-silver alloy AuxAg1-x is an important class of functional materials promising new applications across a wide array of technological fields. In this paper, we report a fast and facile synthetic protocol for preparation of highly monodisperse AuxAg1-x alloy nanoparticles in the size range of 3-6 nm. The precursors employed in this work are M(I)-alkanethiolates (M = Au and Ag), which can be easily prepared by mixing common chemicals such as HAuCl4 or AgNO3 with alkanethiols at room temperature. In this half-seeding approach, one of the M(I)-alkanethiolates is first heated and reduced in oleylamine solvent, and freshly formed metal clusters will then act as premature seeds on which both the first and second metals (from M(I)-alkanethiolates, M = Au and Ag) can grow accordingly without additional nucleation and thus achieve high monodispersity for product alloy nanoparticles. Unlike in other prevailing methods, both Au and Ag elements present in these solid precursors are in the same monovalent state and have identical supramolecular structures, which may lead to a more homogeneous reduction and complete interdiffusion at elevated reaction temperatures. When the M(I)-alkanethiolates are reduced to metallic forms, the detached alkanethiolate ligands will serve as capping agent to control the growth. More importantly, composition, particle size, and optical properties of AuxAg1-x alloy nanoparticles can be conveniently tuned with this approach. The optical limiting properties of the prepared particles have also been investigated at 532 and 1064 nm using 7 ns laser pulses, which reveals that the as-prepared alloy nanoparticles exhibit outstanding broadband optical limiting properties with low thresholds. © 2011 American Chemical Society.

  7. Water dissociation and CO oxidation over Au/anatase catalyst. A DFT-D2 study

    Science.gov (United States)

    Saqlain, Muhammad Adnan; Hussain, Akhtar; Siddiq, Muhammad; Leitão, Alexandre A.

    2018-03-01

    With the help of DFT-D2 methodology, we have investigated the adsorption of water on clean anatase(001) and Au/anatase(001). In the former case, adsorption energies of H2O differ to small extent computed employing GGA = PW91 and DFT-D2 methods. While the GGA = PW91 predicts that water would desorb close to 650 K on the TiO2 surface, the DFT-D2 predicts that desorption is most likely to occur above 700 K. A comparison of water adsorption on TiO2 and Au/TiO2 surfaces shows that the TiO2 prefers dimer adsorption whereas the Au/TiO2 prefers monomer adsorption. We found that the diffusion of surface hydroxyls on to the Au cluster from the Au/TiO2 periphery is unlikely and it seems that the CO oxidation would occur at the Au/TiO2 boundary. The results show that water dissociation and CO oxidation steps occur easily on Au/TiO2 indicating that this could be good alternative catalyst for water gas shift reaction industry.

  8. Preparation and electric and photoelectric properties of thin deposits of Fe, Co, Ni, Cu, Ag, Au and Pd

    International Nuclear Information System (INIS)

    Heras, J.M.; Albano, E.V.; Asensio, M.C.; Viscido, L.

    1984-01-01

    The physics chemical properties of desordered metallic thin films of Fe, Co, Ni, Pd, Ag, Cu and Au are of great interest for its catalitic activity and for its application in radiation absorption of solar cells and micro electronic devices. This work has the purpose of reporting the experimental results obtained by evaporated films of these metals, which present desordered characteristics, small crystal size and high surface-volume rate. (A.C.A.S.) [pt

  9. AZO/Au/AZO tri-layer thin films for the very low resistivity transparent electrode applications

    Energy Technology Data Exchange (ETDEWEB)

    Chu, Chien-Hsun [Department of Materials Science and Engineering, National Cheng Kung University, Tainan 70101, Taiwan (China); Wu, Hung-Wei, E-mail: hwwu@mail.ksu.edu.tw [Department of Computer and Communication, Kun Shan University, Tainan 71003, Taiwan (China); Huang, Jow-Lay [Department of Materials Science and Engineering, National Cheng Kung University, Tainan 70101, Taiwan (China); Department of Chemical and Materials Engineering, National University of Kaohsiung, Kaohsiung 81148, Taiwan (China); Research Center for Energy Technology and Strategy, National Cheng Kung University, Tainan 70101, Taiwan (China)

    2014-08-01

    Highlights: • High-quality Al-doped ZnO (AZO)/Au/AZO transparent conducting oxide films. • AZO films (30 nm) made by RF sputtering; ion sputtering for Au film (5–20 nm). • Effects of Au thickness on optical and electrical properties were analyzed. • The resistivity of 9 × 10{sup −5} Ω cm and the transmittance of 86.2% of the multilayer films were obtained in this study. - Abstract: Aluminum-doped ZnO (AZO)/gold/AZO tri-layer structures with very low resistivity and high transmittance are prepared by simultaneous RF magnetron sputtering (for AZO) and ion sputtering (for Au). The properties of the tri-layer films are investigated at different Au layer thicknesses (5–20 nm). The effects of Au layer thickness and the role of Au on the transmission properties of the tri-layer films were investigated. The very low resistivity of 1.01 × 10{sup −5} Ω cm, mobility of 27.665 cm{sup 2} V{sup −1} s{sup −1}, and carrier concentration of 4.563 × 10{sup 22} cm{sup −3} were obtained at an Au layer thickness of 20 nm. The peak transmittance of 86.18% at 650-nm wavelength was obtained at an Au layer thickness of 8 nm. These results show the films to be a good candidate for high-quality electrode scheme in various display applications.

  10. Growth and structure of Co/Au magnetic thin films; Croissance et structure des couches minces magnetiques Co/Au

    Energy Technology Data Exchange (ETDEWEB)

    Marsot, N

    1999-01-14

    We have studied the growth and the crystallographic structure of magnetic ultra thin cobalt/gold films (Co/Au), in order to investigate the correlations between their magnetic and structural properties. Room temperature (R.T.) Co growth on Au (111) proceeds in three stages. Up to 2 Co monolayers (ML), a bilayer island growth mode is observed. Between 2 and 5 ML, coalescence of the islands occurs, covering the substrate surface and a Co/Au mixing is observed resulting from the de-construction of the Herringbone reconstruction. Finally, beyond 5 ML, the CoAu mixing is buried and the Co growth continues in a 3-D growth. Annealing studies at 600 K on this system show a smoothing effect of the Co film, and at the same time, segregation of Au atoms. The quality of the Co/Au interface (sharpness) is not enhanced by the annealing. The local order was studied by SEXAFS and the long range order by GIXRD showing that the Co film has a hexagonal close packed structure, with an easy magnetization axis perpendicular to the surface. From a local order point of view, the Co grows with an incoherent epitaxy and keeps its own bulk parameters. The GIXRD analysis shows a residual strain in the Co film of 4%. The difference observed between the local order analysis and the long range order results is explained in terms of the low dimensions of the diffracting domains. The evolution of film strains, as a function of the Co coverage, shows a marked deviation from the elastic strain theory. Modification of the strain field in the Co film as a function of the Au coverage is studied by GIXRD analysis. The Au growth study, at R.T., shows no evidence of a Au/Co mixing in the case of the Au/Co interface. The Au overlayer adopts a twinned face centred cubic structure on the rough Co film surface. (author)

  11. Syntheses, structures and third-order non-linear optical properties of homometal clusters containing molybdenum

    International Nuclear Information System (INIS)

    Li Yong; Lu Jing; Cui Xiaobing; Xu Jiqing; Li Kechang; Sun Huaying; Li Guanghua; Pan Lingyun; Yang Qingxin

    2005-01-01

    Both the homometal cluster [P(ph 4 )] 2 [Mo 2 O 2 (μ-S) 2 (S 2 ) 2 ] (1) and [Mo 2 O 2 (μ-S) 2 (Et 2 dtc) 2 ] (2) (Et 2 dtc=diethyl-dithiocarbamate) were successfully synthesized by low-temperature solid-state reactions. X-ray single-crystal diffraction studies suggest that compound (1) is a dinuclear anion cluster, and compound (2) is a dinuclear neutral cluster. The two compounds were characterized by elemental analyses, IR spectra and UV-Vis spectra. The third-order non-linear optical (NLO) properties of the clusters were also investigated and all exhibited nice non-linear absorption and self-defocusing performance with moduli of the hyperpolarizabilities 5.145x10 -30 esu for (1) and 5.428x10 -30 esu for (2)

  12. Proteomic properties reveal phyloecological clusters of Archaea.

    Directory of Open Access Journals (Sweden)

    Nela Nikolic

    Full Text Available In this study, we propose a novel way to describe the variety of environmental adaptations of Archaea. We have clustered 57 Archaea by using a non-redundant set of proteomic features, and verified that the clusters correspond to environmental adaptations to the archaeal habitats. The first cluster consists dominantly of hyperthermophiles and hyperthermoacidophilic aerobes. The second cluster joins together halophilic and extremely halophilic Archaea, while the third cluster contains mesophilic (mostly methanogenic Archaea together with thermoacidophiles. The non-redundant subset of proteomic features was found to consist of five features: the ratio of charged residues to uncharged, average protein size, normalized frequency of beta-sheet, normalized frequency of extended structure and number of hydrogen bond donors. We propose this clustering to be termed phyloecological clustering. This approach could give additional insights into relationships among archaeal species that may be hidden by sole phylogenetic analysis.

  13. Evolution and Photoevaporation of Protoplanetary Disks in Clusters: The Role of Pre-stellar Core Properties

    Science.gov (United States)

    Xiao, Lin; Chang, Qiang

    2018-01-01

    We explore the effects of progenitor pre-stellar core properties on the evolution of disks with external photoevaporation in clusters. Since the strength of external photoevaporation is largely determined by the depth of the gravitational potential well of the disk, the external photoevaporation rate is the function of star mass and disk size. The properties of a core collapse set up the initial conditions of protoplanetary disks, so they influence the evolutions of star mass and disk size. Our calculations show that the core properties can dramatically influence the efficiency of external photoevaporation. For the core with low angular velocity, most core mass directly falls onto the central star or onto the disk near the star. External photoevaporation is suppressed even if external radiation from nearby massive stars are strong. In this case, the disk evolution in clusters is primarily driven by its own internal viscosity. However, if the core angular velocity is high, most core mass falls onto the disk far from the central star. External photoevaporation is so strong that the disk mass is severely evaporated. Finally, the star mass is very low and the disk lifetime is very short. Our calculations could interpret some observational features of disks in clusters, such as the diameter distribution of disks in the Trapezium cluster and the correlation between mass accretion rate and star mass. We suggest that the disk mass determined by (sub)millimeter wavelength observations may be underestimated.

  14. Mechanical and charge transport properties of alkanethiol self-assembled monolayers on Au (111) surface: The Role of Molecular Tilt

    Energy Technology Data Exchange (ETDEWEB)

    Mulleregan, Alice; Qi, Yabing; Ratera, Imma; Park, Jeong Y.; Ashby, Paul D.; Quek, Su Ying; Neaton, J. B.; Salmeron, Miquel

    2007-11-12

    The relationship between charge transport and mechanical properties of alkanethiol self-assembled monolayers (SAM) on Au(111) films has been investigated using an atomic force microscope with a conductive tip. Molecular tilts induced by the pressure applied by the tip cause stepwise increases in film conductivity. A decay constant {beta} = 0.57 {+-} 0.03 {angstrom}{sup -1} was found for the current passing through the film as a function of tip-substrate separation due to this molecular tilt. This is significantly smaller than the value of {approx} 1 {angstrom}{sup -1} found when the separation is changed by changing the length of the alkanethiol molecules. Calculations indicate that for isolated dithiol molecules S-bonded to hollow sites, the junction conductance does not vary significantly as a function of molecular tilt. The impact of S-Au bonding on SAM conductance is discussed.

  15. Electronic and chemical properties of indium clusters

    International Nuclear Information System (INIS)

    Rayane, D.; Khardi, S.; Tribollet, B.; Broyer, M.; Melinon, P.; Cabaud, B.; Hoareau, A.

    1989-01-01

    Indium clusters are produced by the inert gas condensation technique. The ionization potentials are found higher for small clusters than for the Indium atom. This is explained by the p character of the bonding as in aluminium. Doubly charge clusters are also observed and fragmentation processes discussed. Finally small Indium clusters 3< n<9 are found very reactive with hydrocarbon. (orig.)

  16. Detection of organic vapors on sputtered and annealed thin Au films

    Science.gov (United States)

    Kvitek, O.; Kopacek, V.; Reznickova, A.; Svorcik, V.

    2018-03-01

    Unique optical properties of metal nanostructures enable construction of new types of chemical sensors. Nanostructures composed of Au on glass substrate were prepared by annealing of 2-20 nm thick sputtered Au films at 300 °C for 1 h. The annealing leads to transformation of the as sputtered continuous Au layers to a nanoisland structure. The forming nanostructure shows a strong, well defined surface plasmon resonance absorption band in UV-Vis spectrum, which is useful for construction of a chemical sensor. The samples were used to detect vapors of acetone and water in an experimental testing apparatus. The achieved signal-to-noise ratio was 583 and 386 for acetone and water vapors, respectively on the nanostructure prepared from 4 nm thick Au layer. The nanostructured sensitive layers, however, showed poor signal stability; therefore a polymer overlayer was introduced to protect it. The employed polystyrene film prepared by spin-coating improved sensitivity and selectivity of the sensor, while the dynamic properties of the sensing influenced only slightly.

  17. Optical Property Characterization of Novel Graphene-X (X=Ag, Au and Cu Nanoparticle Hybrids

    Directory of Open Access Journals (Sweden)

    Sumit Ranjan Sahu

    2013-01-01

    Full Text Available The present investigation reports new results on optical properties of graphene-metal nanocomposites. These composites were prepared by a solution-based chemical approach. Graphene has been prepared by thermal reduction of graphene oxide (GO at 90°C by hydrazine hydrate in an ammoniacal medium. This ammoniacal solution acts as a solvent as well as a basic medium where agglomeration of graphene can be prevented. This graphene solution has further been used for functionalization with Ag, Au, and Cu nanoparticles (NPs. The samples were characterized by X-ray diffraction (XRD, Raman spectroscopy, UV-Vis spectroscopy, scanning electron microscopy (SEM, and transmission electron microscopy (TEM to reveal the nature and type of interaction of metal nanoparticles with graphene. The results indicate distinct shift of graphene bands both in Raman and UV-Vis spectroscopies due to the presence of the metal nanoparticles. Raman spectroscopic analysis indicates blue shift of D and G bands in Raman spectra of graphene due to the presence of metal nanoparticles except for the G band of Cu-G, which undergoes red shift, reflecting the charge transfer interaction between graphene sheets and metal nanoparticles. UV-Vis spectroscopic analysis also indicates blue shift of graphene absorption peak in the hybrids. The plasmon peak position undergoes blue shift in Ag-G, whereas red shift is observed in Au-G and Cu-G.

  18. Magnetic Au Nanoparticles on Archaeal S-Layer Ghosts as Templates

    Directory of Open Access Journals (Sweden)

    Sonja Selenska-Pobell

    2011-10-01

    Full Text Available Cell‐ghosts representing empty cells of the archaeon Sulfolobus acidocaldarius, consisting only of their highly ordered and unusually stable outermost proteinaceous surface layer (S‐layer, were used as templates for Au nanoparticles fabrication. The properties of these archaeal Au nanoparticles differ significantly from those produced earlier by us onto bacterial S‐layer sheets. The archaeal Au nanoparticles, with a size of about 2.5 nm, consist exclusively of metallic Au(0, while those produced on the bacterial S‐layer had a size of about 4 nm and represented a mixture of Au(0 and Au(III in the ratio of 40 to 60 %. The most impressive feature of the archaeal Au nanoparticles is that they are strongly paramagnetic, in contrast to the bacterial ones and also to bulk gold. SQUID magnetometry and XMCD measurements demonstrated that the archaeal Au nanoparticles possess a rather large magnetic moment of about 0.1 µB/atom. HR‐ TEM‐EDX analysis revealed that the archaeal Au nanoparticles are linked to the sulfur atoms of the thiol groups of the amino acid cysteine, characteristic only for archaeal S‐layers. This is the first study demonstrating the formation of such unusually strong magnetic Au nanoparticles on a non‐modified archaeal S‐layer.

  19. INDRA at GSI; INDRA au GSI

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-12-31

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

  20. New insights on multiplicity and clustering in Taurus.

    Science.gov (United States)

    Joncour, Isabelle; Duchene, Gaspard; Moraux, Estelle; Mundy, Lee

    2018-01-01

    Multiplicity and clustering of young stars are critical clues to constraint star formation process. The Taurus molecular complex is the archetype of a quiescent star forming region that may retain primeval signature of star formation.Using statistical and clustering tools such as nearest neighbor statistics, correlation functions and the density-Based Spatial Clustering of Applications with Noise (DBSCAN) algorithm, this work reveals new spatial substructures in Taurus.We have identified unexpected ultra wide pairs (UWPs) candidates of high order multiplicity in Taurus in the 5-60 kAU separation range (Joncour et al 2017), beyond the separation assessed for wide pairs (Kraus & Hillenbrand 2009).Our work reveals 20 local stellar substructures, the Nested Elementary Structures (NESTs). These NESTs contain nearly half the stars of Taurus and 75% of the Class 0/I objects probing that they are the preferred sites of star formation (Joncour et al, sub.). The NESTs size ranges from few kAU up to 80 kAU making a length scale bridge between wide pairs and loose group (few hundreds kAU, Kirk & Myers, 2011). The NESTs mass ranges from 0.5-10 solar mass. The balance between Class I, II and III in NESTs suggests that they may be ordered as an evolutionary temporal scheme, some of them got infertile, while other shelter stars in infancy.The UWPs and the NESTs may be pristine imprints of their spatial configuration at birth. The UWPs population may result from a cascade fragmentation scenario of the natal molecular core. They could be the older counterparts, to the 0.5 Myr prestellar cores/Class 0 multiple objects observed at radio/millimeter wavelengths (Tobin et al 2010, 2016) and the precursors of the large number of UWPs (10–100 kAU) recently identified in older moving groups (Floriano-Alonso et al, 2015 ; Elliot et al 2016). The NESTs may result from the gravitational collapse of a gas clump that fragments to give a tight collection of stars within few millions years

  1. Electrical properties of Au/CdZnTe/Au detectors grown by the boron oxide encapsulated Vertical Bridgman technique

    Energy Technology Data Exchange (ETDEWEB)

    Turturici, A.A. [Dipartimento di Fisica e Chimica, Università di Palermo, Viale delle Scienze, Edificio 18, Palermo 90128 (Italy); Abbene, L., E-mail: leonardo.abbene@unipa.it [Dipartimento di Fisica e Chimica, Università di Palermo, Viale delle Scienze, Edificio 18, Palermo 90128 (Italy); Gerardi, G. [Dipartimento di Fisica e Chimica, Università di Palermo, Viale delle Scienze, Edificio 18, Palermo 90128 (Italy); Benassi, G. [due2lab s.r.l., Via Paolo Borsellino 2, Scandiano, 42019 Reggio Emilia (Italy); Bettelli, M.; Calestani, D. [IMEM/CNR, Parco Area delle Scienze 37/A, Parma 43100 (Italy); Zambelli, N. [due2lab s.r.l., Via Paolo Borsellino 2, Scandiano, 42019 Reggio Emilia (Italy); Raso, G. [Dipartimento di Fisica e Chimica, Università di Palermo, Viale delle Scienze, Edificio 18, Palermo 90128 (Italy); Zappettini, A. [IMEM/CNR, Parco Area delle Scienze 37/A, Parma 43100 (Italy); Principato, F. [Dipartimento di Fisica e Chimica, Università di Palermo, Viale delle Scienze, Edificio 18, Palermo 90128 (Italy)

    2016-09-11

    In this work we report on the results of electrical characterization of new CdZnTe detectors grown by the Boron oxide encapsulated Vertical Bridgman technique (B-VB), currently produced at IMEM-CNR (Parma, Italy). The detectors, with gold electroless contacts, have different thicknesses (1 and 2.5 mm) and the same electrode layout, characterized by a central anode surrounded by a guard-ring electrode. Investigations on the charge transport mechanisms and the electrical contact properties, through the modeling of the measured current–voltage (I–V) curves, were performed. Generally, the detectors are characterized by low leakage currents at high bias voltages even at room temperature: 34 nA/cm{sup 2} (T=25 °C) at 10,000 V/cm, making them very attractive for high flux X-ray measurements, where high bias voltage operation is required. The Au/CdZnTe barrier heights of the devices were estimated by using the interfacial layer-thermionic-diffusion (ITD) model in the reverse bias voltage range. Comparisons with CdZnTe detectors, grown by Traveling Heater Method (THM) and characterized by the same electrode layout, deposition technique and resistivity, were also performed.

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

    Science.gov (United States)

    Zhao, Jie

    2018-01-01

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

  3. First principles study of structural, electronic and magnetic properties of SnGe n (0, ±1) ( n = 1–17) clusters

    Science.gov (United States)

    Djaadi, Soumaia; Eddine Aiadi, Kamal; Mahtout, Sofiane

    2018-04-01

    The structures, relative stability and magnetic properties of pure Ge n +1, neutral cationic and anionic SnGe n (n = 1–17) clusters have been investigated by using the first principles density functional theory implemented in SIESTA packages. We find that with the increasing of cluster size, the Ge n +1 and SnGe n (0, ±1) clusters tend to adopt compact structures. It has been also found that the Sn atom occupied a peripheral position for SnGe n clusters when n 12. The structural and electronic properties such as optimized geometries, fragmentation energy, binding energy per atom, HOMO–LUMO gaps and second-order differences in energy of the pure Ge n +1 and SnGe n clusters in their ground state are calculated and analyzed. All isomers of neutral SnGe n clusters are generally nonmagnetic except for n = 1 and 4, where the total spin magnetic moments is 2μ b. The total (DOS) and partial density of states of these clusters have been calculated to understand the origin of peculiar magnetic properties. The cluster size dependence of vertical ionization potentials, vertical electronic affinities, chemical hardness, adiabatic electron affinities and adiabatic ionization potentials have been calculated and discussed.

  4. Imprint of galaxy formation and evolution on globular cluster properties

    OpenAIRE

    Bekki, Kenji

    2006-01-01

    We discuss the origin of physical properties of globular cluster systems (GCSs) in galaxies in terms of galaxy formation and evolution processes. Based on numerical simulations of dynamical evolution of GCSs in galaxies, we particularly discuss (1) the origin of radial density profiles of GCSs, (2) kinematics of GCSs in elliptical galaxies, (3) transformation from nucleated dwarf galaxies into GCs (e.g., omega Centauri), and (4) the origin of GCSs in the Large Magellanic Cloud (LMC).

  5. Manipulating the optical properties of symmetrically branched Au/Pd nanocrystals through interior design.

    Science.gov (United States)

    DeSantis, Christopher J; Skrabalak, Sara E

    2014-05-25

    Au/Pd octopods with hollow, cubic interiors and Oh symmetry were synthesized for the first time by etching core@shell Pd@Au/Pd octopods to selectively remove their Pd interiors. Integration of multiple architectural features - in this case branching symmetry, composition, and interior design - into one nanostructure provides design strategies to new plasmonic colloids.

  6. A facile strategy to fabricate Au/TiO{sub 2} nanotubes photoelectrode with excellent photoelectrocatalytic properties

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Guowei; Miao, Hui [School of Physics, Northwest University, Xi’an, Shaanxi 710069 (China); Hu, Xiaoyun, E-mail: hxy3275@nwu.edu.cn [School of Physics, Northwest University, Xi’an, Shaanxi 710069 (China); Mu, Jianglong; Liu, Xixi; Han, Tongxin [School of Physics, Northwest University, Xi’an, Shaanxi 710069 (China); Fan, Jun; Liu, Enzhou; Yin, Yunchao; Wan, Jun [School of Chemical Engineering, Northwest University, Xi’an, Shaanxi 710069 (China)

    2017-01-01

    Highlights: • Au/TiO{sub 2} nanotubes were prepared by hydrothermal and microwave-assisted method. • TiO{sub 2} NTs improved the lifetime of photogenerated charge carriers. • The synergistic effect leads to better photoelectrocatalytic performance. - Abstract: Highly ordered titanium dioxide nanotubes (TiO{sub 2} NTs) were prepared by a low-temperature hydrothermal process with Ti sheet as precursor in NaOH solutions. Gold nanoparticles (Au NPs) were then deposited on the surface of TiO{sub 2} NTs by a microwave-assisted chemical reduction route. The investigation reveal that the Au NPs are well dispersed on the surface of TiO{sub 2} NTs in metallic state, and Au NPs can effectively promote the separation of photogenerated electron-hole pairs. Besides, Au NPs also can enhance the visible light absorption of TiO{sub 2} NTs due to their localized surface plasmon resonance (LSPR) effect. The experimental results indicate that 0.5 Au/TiO{sub 2} NTs film with an photocurrent of 19.0 μA/cm{sup 2} exhibits the highest photoelectrocatalytic (PEC) activity, when under a low bias of 0.5 V, in the degradation of methylene blue (MB). Additionally, the mechanism for the enhanced PEC performance of Au/TiO{sub 2} NTs is preliminarily discussed. The Au NPs decorated TiO{sub 2} NTs displayed a more effective separation of photogenerated electron-hole pairs. The enhanced visible light absorption was owning to the Au NPs localized surface plasmon resonance (LSPR) effect. Finally, the mechanism for the enhanced PEC performance of Au/TiO{sub 2} NTs was also proposed.

  7. Optical properties of an atom in the presence of a two-nanosphere cluster

    International Nuclear Information System (INIS)

    Klimov, Vasilii V; Guzatov, D V

    2007-01-01

    The optical properties of an atom located near a cluster of two arbitrarily arranged nanospheres of an arbitrary composition are studied. Changes in the spontaneous decay rates of excited states and emission frequency shifts are considered for different orientations of the dipole moment and different positions of the atom with respect to the cluster. It is shown that a two-nanosphere cluster can be used to control efficiently the spontaneous decay rates of excited states of the atom by changing the distance between spheres. It is found that spontaneous decay rates of the excited states of an atom located between silver nanospheres and having the dipole moment directed along the axis connecting the centres of spheres can increase by a factor of 10 5 and more when nanospheres are brought closer together. (invited paper)

  8. Electrical investigation of the Au/n+–GaAs and Au/n-porous GaAs structures

    International Nuclear Information System (INIS)

    Saghrouni, H.; Hannachi, R.; Jomni, S.; Beji, L.

    2013-01-01

    The electrical properties of Au/n + –GaAs and Au/n-porous GaAs metal–semiconductor structures were investigated using room temperature current–voltage I(V) and capacitance–voltage C(V) measurements. The electrical parameters of these structures such as ideality factor, barrier height potential, series resistance have been calculated. The obtained parameters of Au/n-porous GaAs structure were discussed and compared to those of Au/n + –GaAs structure. The series resistances and ideality factors of the two structures were seen to have approximately the same values. Furthermore, the shunt resistance and the barrier height potential values for the Au/n-porous GaAs structure were found to be different than the ones of Au/n + –GaAs structure. Furthermore the two structures showed a non-ideal I(V) behavior with an ideality factor greater than unity. Such non ideal behavior was suggested to be due to the existence of high density of trap and the forward I(V) characteristics which were governed by space charge limited conductivity, characterized by single and exponential trapping levels in both structures (SCLC). A model based upon TFE tunneling of carriers at reverse current was used to explain the non-saturation of reverse current of the structures. The high frequency C(V) characteristics of the structure reveal the presence of an anomalous behavior at the forward bias. Though the capacitance reaches a peak, it remarkably decreases with an increasing bias voltage suggested by the presence of interface states. Furthermore, the energy distribution of interface density in the structures was determined by the forward bias C(V) measurement as well as using ideality factor and barrier height potential values obtained from forward bias I(V) and reverse bias C −2 (V) characteristics, respectively. An estimated energy band diagram for the Au/n + –GaAs and Au/n-porous GaAs structures are presented

  9. Long-term antibacterial characteristics and cytocompatibility of titania nanotubes loaded with Au nanoparticles without photocatalytic effects

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Guomin [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China); Feng, Hongqing, E-mail: fenghongqing@binn.cas.cn [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China); Beijing Institute of Nanoenergy and Nanosystems, Chinese Academy of Sciences, National Center for Nanoscience and Technology (NCNST), Beijing 100083 (China); Jin, Weihong; Gao, Ang; Peng, Xiang; Li, Wan; Wu, Hao [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China); Li, Zhou [Beijing Institute of Nanoenergy and Nanosystems, Chinese Academy of Sciences, National Center for Nanoscience and Technology (NCNST), Beijing 100083 (China); Chu, Paul K., E-mail: paul.chu@cityu.edu.hk [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China)

    2017-08-31

    Highlights: • Au@TiO{sub 2}-NT shows long-term antibacterial effects without photocatalytical effects. • An ROS-free antibacterial process is confirmed. • Au@TiO{sub 2}-NT shows good compatibility with osteoblasts and does not induce ROS production. - Abstract: Au nanoparticles (NPs) can endow titania nanotubes (Au@TiO{sub 2}-NT) with light-independent antibacterial properties which bode well for in vivo application because of the dark environment inside tissues. In this work, the long-term antibacterial bactericidal properties and cytocompatibility of Au@TiO{sub 2}-NT without photocatalytic effects are studied in details. The materials exhibit antibacterial effects against Staphylococcus aureus according to antibacterial tests carried out for a total time of 21 days, which are normally long enough for early stage tissue healing after surgery. In addition, adhesion and proliferation of MC3T3-E1 osteoblasts on Au@TiO{sub 2}-NT reveal cytocompatibility comparable to that of TiO{sub 2}-NT. No reactive oxygen species (ROS) are detected from either the bacteria or MC3T3-E1 cells cultured on the Au@TiO{sub 2}-NT surface. The absence of ROS, long-term antibacterial properties, and cytocompatibility make Au@TiO{sub 2}-NT promising biomaterials in orthopedic devices and implants.

  10. Fluids confined in wedges and by edges: From cluster integrals to thermodynamic properties referred to different regions

    International Nuclear Information System (INIS)

    Urrutia, Ignacio

    2015-01-01

    Recently, new insights into the relation between the geometry of the vessel that confines a fluid and its thermodynamic properties were traced through the study of cluster integrals for inhomogeneous fluids. In this work, I analyze the thermodynamic properties of fluids confined in wedges or by edges, emphasizing on the question of the region to which these properties refer. In this context, the relations between the line-thermodynamic properties referred to different regions are derived as analytic functions of the dihedral angle α, for 0 < α < 2π, which enables a unified approach to both edges and wedges. As a simple application of these results, I analyze the properties of the confined gas in the low-density regime. Finally, using recent analytic results for the second cluster integral of the confined hard sphere fluid, the low density behavior of the line thermodynamic properties is analytically studied up to order two in the density for 0 < α < 2π and by adopting different reference regions

  11. A simple approach for facile synthesis of Ag, anisotropic Au and bimetallic (Ag/Au) nanoparticles using cruciferous vegetable extracts

    Energy Technology Data Exchange (ETDEWEB)

    Jacob, Jasmine; Mukherjee, Tulsi; Kapoor, Sudhir, E-mail: sudhirk@barc.gov.in

    2012-10-01

    We present a simple and straightforward approach for the synthesis and stabilization of relatively monodisperse Ag, Au and bimetallic (Ag/Au) nanoparticles by using cruciferous vegetable (green/red) extracts by simply adjusting the pH environment in the aqueous medium. The vegetable extracts act both as reducing and capping agents. The monometallic and bimetallic nanoparticles of Ag and Au so obtained were characterized by UV-visible spectroscopy, X-ray diffraction (XRD), dynamic light scattering (DLS) and transmission electron microscopy (TEM). It is shown that red cabbage extract can be used for the preparation of anisotropic Au nanoparticles. The formation of Au anisotropic nanoparticles was found to depend on a number of environmental factors, such as the pH of the reaction medium, reaction time, and initial reactant concentrations. Additionally, it is shown that these extract-stabilized Au and Ag nanoparticles can be used as a seed for preparation of bimetallic Au/Ag nanoparticles. For bimetallic alloy nanoparticles the absorption peak was observed between the two maxima of the corresponding metallic particles. The surface plasmon absorption maxima for bimetallic nanoparticles changed linearly with increasing Au mole ratio content in various alloy compositions. It has been shown that the formation of hollow Au spheres depends on the experimental conditions. - Graphical abstract: TEM image of gold nanoparticles at pH 3.27 formed by red cabbage extract. Highlights: Black-Right-Pointing-Pointer First report on the reactivity of the extracts toward metal ions using a spectrophotometric technique. Black-Right-Pointing-Pointer Red cabbage extract has better reducing properties than green cabbage extract. Black-Right-Pointing-Pointer Red cabbage extract can reduce metal ions at any pH. Black-Right-Pointing-Pointer Reduction of metal ions can have important consequences in the study of soil chemistry.

  12. A simple approach for facile synthesis of Ag, anisotropic Au and bimetallic (Ag/Au) nanoparticles using cruciferous vegetable extracts

    International Nuclear Information System (INIS)

    Jacob, Jasmine; Mukherjee, Tulsi; Kapoor, Sudhir

    2012-01-01

    We present a simple and straightforward approach for the synthesis and stabilization of relatively monodisperse Ag, Au and bimetallic (Ag/Au) nanoparticles by using cruciferous vegetable (green/red) extracts by simply adjusting the pH environment in the aqueous medium. The vegetable extracts act both as reducing and capping agents. The monometallic and bimetallic nanoparticles of Ag and Au so obtained were characterized by UV–visible spectroscopy, X-ray diffraction (XRD), dynamic light scattering (DLS) and transmission electron microscopy (TEM). It is shown that red cabbage extract can be used for the preparation of anisotropic Au nanoparticles. The formation of Au anisotropic nanoparticles was found to depend on a number of environmental factors, such as the pH of the reaction medium, reaction time, and initial reactant concentrations. Additionally, it is shown that these extract-stabilized Au and Ag nanoparticles can be used as a seed for preparation of bimetallic Au/Ag nanoparticles. For bimetallic alloy nanoparticles the absorption peak was observed between the two maxima of the corresponding metallic particles. The surface plasmon absorption maxima for bimetallic nanoparticles changed linearly with increasing Au mole ratio content in various alloy compositions. It has been shown that the formation of hollow Au spheres depends on the experimental conditions. - Graphical abstract: TEM image of gold nanoparticles at pH 3.27 formed by red cabbage extract. Highlights: ► First report on the reactivity of the extracts toward metal ions using a spectrophotometric technique. ► Red cabbage extract has better reducing properties than green cabbage extract. ► Red cabbage extract can reduce metal ions at any pH. ► Reduction of metal ions can have important consequences in the study of soil chemistry.

  13. ITO/Au/ITO sandwich structure for near-infrared plasmonics.

    Science.gov (United States)

    Fang, Xu; Mak, Chee Leung; Dai, Jiyan; Li, Kan; Ye, Hui; Leung, Chi Wah

    2014-09-24

    ITO/Au/ITO trilayers with varying gold spacer layer thicknesses were deposited on glass substrates by pulsed laser deposition. Transmission electron microscopy measurements demonstrated the continuous nature of the Au layer down to 2.4 nm. XRD patterns clearly showed an enhanced crystallinity of the ITO films promoted by the insertion of the gold layer. Compared with a single layer of ITO with a carrier concentration of 7.12 × 10(20) cm(-3), the ITO/Au/ITO structure achieved an effective carrier concentration as high as 3.26 × 10(22) cm(-3). Transmittance and ellipsometry measurements showed that the optical properties of ITO/Au/ITO films were greatly influenced by the thickness of the inserted gold layer. The cross-point wavelength of the trilayer samples was reduced with increasing gold layer thickness. Importantly, the trilayer structure exhibited a reduced loss (compared with plain Au) in the near-infrared region, suggesting its potential for plasmonic applications in the near-infrared range.

  14. Magnetic and thermodynamic properties of GdCu4Au

    International Nuclear Information System (INIS)

    Bashir, Aiman K; Tchokonté, Moise B Tchoula; Britz, Douglas; Sondezi, B M; Strydom, André M

    2015-01-01

    The results of magnetic susceptibility, χ(T), magnetization, σ(μ 0 H), and specific heat, C P (T), for GdCu 4 Au are presented. The room temperature powder X-ray diffraction studies indicate a cubic MgCu 4 Sn – type crystal structure with space group F4-bar 3m (No.216). The low field dc χ(T) data shows an antiferromagnetic – like (AFM) anomaly associated with a Néel temperature T N = 10.8 K for GdCu 4 Au. In the paramagnetic region above T N , χ(T) data follows the Curies – Weiss law with an effective magnetic moment μ eff = 7.444(1) μ B and paramagnetic Weiss temperature θ P = -15.01(2) K. The experimental value of is close to the calculated value of 7.94 μ B expected for the free Gd 3+ -ion. The field-cooled (FC) and zero-field-cooled (ZFC) χ(T) data provide evidence for the formation of spin-glass state with a freezing temperature T f = 15 K. σ(μ 0 H) measured in the ordering region (below TN) shows that GdCu 4 Au undergoes metamagnetic transition above 0.7 T, characterized by a slight upward curvature above this field. Measurement of σ(μ 0 H) in the paramagnetic regions show a linear behaviour up to 0.7 T and a downward curvature at high fields. C P (T) data shows an AFM – like phase transition at T N = 10.4 K close to the phase transition observed in χ(T) results. The 4f-electron entropy reaches the value of Rln2 close to T N at 9.02 K and reaches the value of Rln(2J + 1) at T = 180 K

  15. DNA bases assembled on the Au(110)/electrolyte interface: A combined experimental and theoretical study

    DEFF Research Database (Denmark)

    Salvatore, Princia; Nazmutdinov, Renat R.; Ulstrup, Jens

    2015-01-01

    Among the low-index single-crystal gold surfaces, the Au(110) surface is the most active toward molecular adsorption and the one with fewest electrochemical adsorption data reported. Cyclic voltammetry (CV), electrochemically controlled scanning tunneling microscopy (EC-STM), and density functional......, accompanied by a pair of strong voltammetry peaks in the double-layer region in acid solutions. Adsorption of the DNA bases gives featureless voltammograms with lower double-layer capacitance, suggesting that all the bases are chemisorbed on the Au(110) surface. Further investigation of the surface structures...... of the adlayers of the four DNA bases by EC-STM disclosed lifting of the Au(110) reconstruction, specific molecular packing in dense monolayers, and pH dependence of the A and G adsorption. DFT computations based on a cluster model for the Au(110) surface were performed to investigate the adsorption energy...

  16. Effects of clustering structure on volumetric properties of amino acids in (DMSO + water) mixtures

    International Nuclear Information System (INIS)

    Huang Aimin; Liu Chunli; Ma Lin; Tong Zhangfa; Lin Ruisen

    2012-01-01

    Graphical abstract: Together with static light scattering measurement, volumetric properties of glycine, L-alanine and L-serine were determined and utilized to reveal the microscopic solvent structure of (DMSO + water) mixtures and its influence on the interaction between DMSO and amino acids from a clustering point of view. The results demonstrated that the interaction between amino acids and DMSO was greatly related to the clustering structure of the mixed solvent and that amino acids interacted with already established solvent clusters. Hydrophobic aggregating of DMSO lead to a decrease in the hydrophobic effect of DMSO and the hydrophobic–hydrophilic and hydrophobic–hydrophobic interaction with amino acids, which was reflected by the solvation of proteins. Highlights: ► Determine volumetric properties of three amino acids in aqueous DMSO in details. ► Static light scattering measurement for clustering structure of aqueous DMSO. ► Volumetric behaviour of amino acids depends on clustering structure of aqueous DMSO. ► Clustering structure of aqueous DMSO influences solvation of protein and cellulose. - Abstract: For a better understanding on the functions of DMSO in biological systems at a relatively lower concentration, apparent molar volumes of three typical amino acids, glycine, L-alanine and L-serine in (DMSO + water) mixtures were determined and the transfer volumes from water to the mixtures were evaluated. Together with static light scattering measurement, the results were utilised to reveal the microscopic solvent structure of (DMSO + water) mixtures and its influence on the interaction between DMSO and amino acids from a clustering point of view. The results demonstrate that the interaction between amino acids and DMSO is greatly related to the clustering structure of the mixed solvent and that amino acids interacted with already established solvent clusters. The linear dependence of transfer volume of amino acids on DMSO concentration up to 2

  17. Effect of Au irradiation energy on ejection of ZnS nanoparticles from ZnS film

    Science.gov (United States)

    Kuiri, P. K.; Ghatak, J.; Joseph, B.; Lenka, H. P.; Sahu, G.; Mahapatra, D. P.; Tripathi, A.; Kanjilal, D.; Mishra, N. C.

    2007-01-01

    ZnS films deposited on Si have been irradiated with Au ions at 35 keV, 2, and 100 MeV. Sputtered particles, collected on catcher foils during irradiation, were analyzed using transmission electron microscopy. For the case of 35 keV Au irradiation, no nanoparticle (NP) could be observed on the catcher foil. However, NPs 2-7 nm in size, have been observed on the catcher foils for MeV irradiations at room temperature. For particle sizes ≥3 nm, the distributions could be fitted to power law decays with decay exponents varying between 2 and 3.5. At 2 MeV, after correction for cluster breakup effects, the decay exponent has been found to be close to 2, indicating shock waves induced ejection to be the dominant mechanism. The corrected decay exponent for the 100 MeV Au irradiation case has been found to be about 2.6. Coulomb explosion followed by thermal spike induced vaporization of ZnS seems to be the dominant mechanism regarding material removal at such high energy. In such a case the evaporated material can cool down going into the fragmentation region forming clusters.

  18. On the distortion of properties of galaxy cluster

    International Nuclear Information System (INIS)

    Fesenko, B.I.

    1979-01-01

    The supposition is substantiated that most of Abell clusters with population of 50 and more members are false clusters. Some of them may contain, as peculiar nuclei, the real clusters with the number of members from ten to 25 within the range of apparent magnitudes from m 3 to m 3 +2, where m 3 is an apparent magnitude of the galaxy which is third in brightness. The rest members of false clusters are galaxies of front and rare backgrounds. The algorithm for galaxy cluster discrimination used by Abell is shown to promote selection of the real clusters with rho < approximately 25 in which region the number of the background galaxies is considerably increased as compared to other regions of the sky. A systematic and substantial underestimation of the role of such galaxies destorts the results of the cluster structures and dynamics analysis. False clusters are surprisingly well camouflaged as real clusters: when passing to more faint galaxies, the number of the seeming members grows faster than in the ambient field; the difference in angular diameters of false clusters distinctly reflects the difference in average distances of these galaxies; dispersion in velocity of false cluster members comparatively slightly depends on the average distance to an observer, and absolute magnitudes of the brightnesses of galaxies have small dispersion, as in real clusters

  19. Successful synthesis and thermal stability of immiscible metal Au-Rh, Au-Ir andAu-Ir-Rh nanoalloys

    Science.gov (United States)

    Shubin, Yury; Plyusnin, Pavel; Sharafutdinov, Marat; Makotchenko, Evgenia; Korenev, Sergey

    2017-05-01

    We successfully prepared face-centred cubic nanoalloys in systems of Au-Ir, Au-Rh and Au-Ir-Rh, with large bulk miscibility gaps, in one-run reactions under thermal decomposition of specially synthesised single-source precursors, namely, [AuEn2][Ir(NO2)6], [AuEn2][Ir(NO2)6] х [Rh(NO2)6]1-х and [AuEn2][Rh(NO2)6]. The precursors employed contain all desired metals ‘mixed’ at the atomic level, thus providing significant advantages for obtaining alloys. The observations using high-resolution transmission electron microscopy show that the nanoalloy structures are composed of well-dispersed aggregates of crystalline domains with a mean size of 5 ± 3 nm. Еnergy dispersive x-ray spectroscopy and x-ray powder diffraction (XRD) measurements confirm the formation of AuIr, AuRh, AuIr0.75Rh0.25, AuIr0.50Rh0.50 and AuIr0.25Rh0.75 metastable solid solutions. In situ high-temperature synchrotron XRD (HTXRD) was used to study the formation mechanism of nanoalloys. The observed transformations are described by the ‘conversion chemistry’ mechanism characterised by the primary development of particles comprising atoms of only one type, followed by a chemical reaction resulting in the final formation of a nanoalloy. The obtained metastable nanoalloys exhibit essential thermal stability. Exposure to 180 °C for 30 h does not cause any dealloying process.

  20. Weighted Clustering

    DEFF Research Database (Denmark)

    Ackerman, Margareta; Ben-David, Shai; Branzei, Simina

    2012-01-01

    We investigate a natural generalization of the classical clustering problem, considering clustering tasks in which different instances may have different weights.We conduct the first extensive theoretical analysis on the influence of weighted data on standard clustering algorithms in both...... the partitional and hierarchical settings, characterizing the conditions under which algorithms react to weights. Extending a recent framework for clustering algorithm selection, we propose intuitive properties that would allow users to choose between clustering algorithms in the weighted setting and classify...

  1. Effects of stretching and compression on conducting properties of an Au–alkanedithiol–Au molecular junction

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Fang; Zhang, Xiao-Jiao; Yu, Ji-Hai; Xu, Hua; Chu, Yu-Fang [Physics Science and Engineering Technology College, Yichun University, Yichun 336000 (China); Fan, Zhi-Qiang, E-mail: fan0221@163.com [School of Physics and Electronic Science, Changsha University of Science and Technology, Changsha 410004 (China)

    2016-03-01

    We have studied the effects of stretching and compression on the electronic properties of 7-alkanedithiol covalently linked to two Au electrodes. Results show a progressive increase in conductivity upon molecule compression and decrease with molecule stretching. The notable conductance increase at high compression is attributed to a significant modification of HOMO and LUMO orbitals of the junction, which enhances electron delocalization and promotes tunneling across the junction. More important, the current switching ratios between the various stages of compressed/extended geometries almost maintain the constant values on the bias region from 0 V to 2 V. In other word, the mechanically-induced conductance enhancement and weakening are stable within a large bias voltage range.

  2. On the form factors of relevant operators and their cluster property

    International Nuclear Information System (INIS)

    Acerbi, C.; Valleriani, A.; Mussardo, G.

    1996-09-01

    We compute the Form Factors of the relevant scaling operators in a class of integrable models without internal symmetries by exploiting their cluster properties. Their identification is established by computing the corresponding anomalous dimensions by means of Delfino-Simonetti-Cardy sum-rule and further confirmed by comparing some universal ratios of the nearby non-integrable quantum field theories with their independent numerical determination. (author). 21 refs, 5 figs, 16 tabs

  3. The Intermediate Velocity Source in the 40Ca + 197Au Reaction at 35 AMeV

    International Nuclear Information System (INIS)

    Planeta, R.; Sosin, Z.; Hachaj, P.

    2001-01-01

    The creation of hot Ca-like fragments and the emission of intermediate velocity particles was studied in the 40 Ca+ 197 Au reaction at 35 AMeV. For peripheral collisions the primary projectile-like fragment was reconstructed using the AMPHORA 4π detector system. The particle distributions are compared with the predictions of a Monte Carlo code which calculates the nucleon transfer and clustering probabilities according to the system density of states. The velocity distributions of charged particles projected on the beam direction can be explained if emissions from the hot projectile-like fragment and the target-like fragment are supplemented by an emission from an intermediate velocity source located between them. The properties of the intermediate velocity source are properly described, including the 2 D/ 3 T/ 3 He effect. (author)

  4. Synthesis of ultrathin face-centered-cubic Au@Pt and Au@Pd core-shell nanoplates from hexagonal-close-packed Au square sheets

    KAUST Repository

    Fan, Zhanxi

    2015-03-17

    The synthesis of ultrathin face-centered-cubic (fcc) Au@Pt rhombic nanoplates is reported through the epitaxial growth of Pt on hexagonal-close-packed (hcp) Au square sheets (AuSSs). The Pt-layer growth results in a hcp-to-fcc phase transformation of the AuSSs under ambient conditions. Interestingly, the obtained fcc Au@Pt rhombic nanoplates demonstrate a unique (101)f orientation with the same atomic arrangement extending from the Au core to the Pt shell. Importantly, this method can be extended to the epitaxial growth of Pd on hcp AuSSs, resulting in the unprecedented formation of fcc Au@Pd rhombic nanoplates with (101)f orientation. Additionally, a small amount of fcc (100)f-oriented Au@Pt and Au@Pd square nanoplates are obtained with the Au@Pt and Au@Pd rhombic nanoplates, respectively. We believe that these findings will shed new light on the synthesis of novel noble bimetallic nanostructures. Phase change: Ultrathin Au@Pt and Au@Pd core-shell nanoplates were prepared from Au square sheets. A phase transformation from hexagonal close-packed (hcp) to face-centered cubic (fcc) is observed upon coating the hcp Au square sheets with Pt or Pd under ambient conditions. The prepared fcc Au@Pt and Au@Pd rhombic nanoplates demonstrate unique (101)f orientation (picture shows a typical fcc Au@Pt rhombic nanoplate). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Laser ablation synthesis of new gold phosphides using red phosphorus and nanogold as precursors. Laser desorption ionisation time-of-flight mass spectrometry.

    Science.gov (United States)

    Panyala, Nagender Reddy; Peña-Méndez, Eladia María; Havel, Josef

    2012-05-15

    Gold phosphides show unique optical or semiconductor properties and there are extensive high technology applications, e.g. in laser diodes, etc. In spite of the various AuP structures known, the search for new materials is wide. Laser ablation synthesis is a promising screening and synthetic method. Generation of gold phosphides via laser ablation of red phosphorus and nanogold mixtures was studied using laser desorption ionisation time-of-flight mass spectrometry (LDI TOFMS). Gold clusters Au(m)(+) (m = 1 to ~35) were observed with a difference of one gold atom and their intensities were in decreasing order with respect to m. For P(n)(+) (n = 2 to ~111) clusters, the intensities of odd-numbered phosphorus clusters are much higher than those for even-numbered phosphorus clusters. During ablation of P-nanogold mixtures, clusters Au(m)(+) (m = 1-12), P(n)(+) (n = 2-7, 9, 11, 13-33, 35-95 (odd numbers)), AuP(n)(+) (n = 1, 2-88 (even numbers)), Au(2)P(n)(+) (n = 1-7, 14-16, 21-51 (odd numbers)), Au(3)P(n)(+) (n = 1-6, 8, 9, 14), Au(4)P(n)(+) (n = 1-9, 14-16), Au(5)P(n)(+) (n = 1-6, 14, 16), Au(6)P(n)(+) (n = 1-6), Au(7)P(n)(+) (n = 1-7), Au(8)P(n)(+) (n = 1-6, 8), Au(9)P(n)(+) (n = 1-10), Au(10)P(n)(+) (n = 1-8, 15), Au(11)P(n)(+) (n = 1-6), and Au(12)P(n)(+) (n = 1, 2, 4) were detected in positive ion mode. In negative ion mode, Au(m)(-) (m = 1-5), P(n)(-) (n = 2, 3, 5-11, 13-19, 21-35, 39, 41, 47, 49, 55 (odd numbers)), AuP(n)(-) (n = 4-6, 8-26, 30-36 (even numbers), 48), Au(2)P(n)(-) (n = 2-5, 8, 11, 13, 15, 17), A(3) P(n)(-) (n = 6-11, 32), Au(4)P(n)(-) (n = 1, 2, 4, 6, 10), Au(6)P(5)(-), and Au(7)P(8)(-) clusters were observed. In both modes, phosphorus-rich Au(m)P(n) clusters prevailed. The first experimental evidence for formation of AuP(60) and gold-covered phosphorus Au(12)P(n) (n = 1, 2, 4) clusters is given. The new gold phosphides generated might inspire synthesis of

  6. Hierarchical nanoflowers assembled with Au nanoparticles decorated ZnO nanosheets toward enhanced photocatalytic properties

    DEFF Research Database (Denmark)

    Yu, Cuiyan; Yu, Yanlong; Xu, Tao

    2017-01-01

    Hierarchical nanoflowers assembled with Au nanoparticles (NPs) decorated ZnO nanosheets (Au-ZnO nanosheet flowers, AZNSFs) were successful synthesized. The AZNSFs showed more efficient activity to photodegradation of RhB than that of pure ZnO nanosheet flowers and commercial ZnO nanopowders. The ...

  7. Analysis of the static properties of cluster formations in symmetric linear multiblock copolymers

    International Nuclear Information System (INIS)

    Fytas, N G; Theodorakis, P E

    2011-01-01

    We use molecular dynamics simulations to study the static properties of a single linear multiblock copolymer chain under poor solvent conditions varying the block length N, the number of blocks n, and the solvent quality by variation of the temperature T. We study the most symmetrical case, where the number of blocks of monomers of type A, n A , equals that of monomers B, n B (n A = n B = n/2), the length of all blocks is the same irrespective of their type, and the potential parameters are also chosen symmetrically, as for a standard Lennard-Jones fluid. Under poor solvent conditions the chains collapse and blocks with monomers of the same type form clusters, which are phase separated from the clusters with monomers of the other type. We study the dependence of the size of the clusters formed on n, N and T. Furthermore, we discuss our results with respect to recent simulation data on the phase behaviour of such macromolecules, providing a complete picture for the cluster formations in single multiblock copolymer chains under poor solvent conditions.

  8. Event characterization and high order flow components of Au-Au collisions at 1.23 AGeV with HADES

    Energy Technology Data Exchange (ETDEWEB)

    Kardan, Behruz; Blume, Christoph; Subotic, Maja [Goethe-Universitaet, Frankfurt am Main (Germany); Collaboration: HADES-Collaboration

    2015-07-01

    HADES provides a large acceptance combined with a high mass resolution and therefor allows to study dielectron and hadron production in heavy-ion collisions with unprecedented precision. With the high statistics of seven billion Au-Au collisions at 1.23 AGeV recorded in April/May 2012 also the investigation of higher order flow harmonics is possible. Collective flow is a sensitive probe for the properties of extreme QCD matter. However, its interpretation relies on the understanding of the initial conditions e.g. the eccentricity of the fireball created in the nuclear overlap region. Based on Glauber Monte Carlo calculations the initial conditions of nuclear collisions, with special emphasis on the correlations between participating nucleons, were examined. Observables of event-by-event flow fluctuations with respect to the reaction centrality are deduced from geometrical properties of the initial state and compared to the measured data.

  9. Effect of Pore Thickness and the State of Polarization on the Optical Properties of Hexagonal Nanoarray of Au/Nanoporous Anodic Alumina Membrane

    Directory of Open Access Journals (Sweden)

    Mohamed Shaban

    2015-01-01

    Full Text Available Hexagonal nanoarrays of Au particles were deposited on nanoporous anodic alumina membrane (NAAM utilizing r.f. magnetron sputtering. The thickness of the NAAMs is adjusted by changing the second anodization time from 5 min to 20 min. The surface morphology, composition, and optical properties are characterized by using SEM, EDX, and spectrophotometer, respectively. The effects of the NAAM thickness and state of polarization on the morphological changes and on the optical properties of the fabricated nanoarrays were addressed. According to the measured optical spectra, the rate of decrease of NAAMs refractive index was found to be 3.825 × 10−4 nm−1. Using the modified Kubelka-Munk radiative transfer model, the energy gap of NAAMs was calculated from diffused reflectance and was decreased from 1.682 to 1.376 as the anodization time increased from 5 to 20 min. Also, the saturation of interference fringes is substantially enhanced, and field enhancement can be achieved due to the excitation and constructive interference of surface plasmon waves by coating NAAMs with the hexagonal nanoarrays of Au. Based on the advantages of the fabrication approach and the enhanced and controlled properties, this new generation of samples can be used as promising building blocks for nanophotonic and nanoelectronics devices.

  10. a Moessbauer Effect and Fenske-Hall Molecular Orbital Study of the Electronic Properties of Organoiron Clusters.

    Science.gov (United States)

    Buhl, Margaret Linn

    The electronic properties of trinuclear iron, tetranuclear iron butterfly, iron-cobalt, and iron-copper clusters have been studied experimentally at 78K by the Mossbauer effect and theoretically by Fenske-Hall molecular orbital calculations. The Mossbauer effect isomer shift is very sensitive to the differences in the iron s-electron densities in these clusters and, as expected, decreases as the sum of the iron 4s Mulliken population and the Clementi and R