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Sample records for ag nanocluster nucleation

  1. Modelling nano-clusters and nucleation.

    Science.gov (United States)

    Catlow, C Richard A; Bromley, Stefan T; Hamad, Said; Mora-Fonz, Miguel; Sokol, Alexey A; Woodley, Scott M

    2010-01-28

    We review the growing role of computational techniques in modelling the structures and properties of nano-particulate oxides and sulphides. We describe the main methods employed, including those based on both electronic structure and interatomic potential approaches. Particular attention is paid to the techniques used in searching for global minima in the energy landscape defined by the nano-particle cluster. We summarise applications to the widely studied ZnO and ZnS systems, to silica nanochemistry and to group IV oxides including TiO(2). We also consider the special case of silica cluster chemistry in solution and its importance in understanding the hydrothermal synthesis of microporous materials. The work summarised, together with related experimental studies, demonstrates a rich and varied nano-cluster chemistry for these materials.

  2. First-Principles Investigation of Ag-Doped Gold Nanoclusters

    OpenAIRE

    Fei-Yue Fan; Yi She; Qing-Fen Liu; Liang-An Zhang; Yuan-Ming Sun; Di Wu; Xiao-Dong Zhang; Pei-Xun Liu; Mei-Li Guo

    2011-01-01

    Gold nanoclusters have the tunable optical absorption property, and are promising for cancer cell imaging, photothermal therapy and radiotherapy. First-principle is a very powerful tool for design of novel materials. In the present work, structural properties, band gap engineering and tunable optical properties of Ag-doped gold clusters have been calculated using density functional theory. The electronic structure of a stable Au20 cluster can be modulated by incorporating Ag, and the HOMO–LUM...

  3. Synthesis of biocompatible AuAgS/Ag2S nanoclusters and their applications in photocatalysis and mercury detection

    International Nuclear Information System (INIS)

    In this paper, a facile approach for preparation of AuAgS/Ag2S nanoclusters was developed. The unique AuAgS/Ag2S nanoclusters capped with biomolecules exhibit interesting excellent optical and catalytic properties. The fluorescent AuAgS/Ag2S nanoclusters show tunable luminescence depending on the nanocluster size. The apoptosis assay demonstrated that the AuAgS/Ag2S nanoclusters showed low cytotoxicity and good biocompatibility. Therefore, the nanoclusters can be used not only as a probe for labeling cells but also for their photocatalytic activity for photodegradation of organic dye. Moreover, a highly selective and sensitive assay for detection of mercury including Hg2+ and undissociated mercury complexes was developed based on the quenching fluorescent AuAgS/Ag2S nanoclusters, which provides a promising approach for determining various forms of Hg in the mercury-based compounds in environment. These unique nanoclusters may have potential applications in biological labeling, sensing mercury, and photodegradation of various organic pollutants in waste water.Graphical Abstract

  4. Synthesis of biocompatible AuAgS/Ag{sub 2}S nanoclusters and their applications in photocatalysis and mercury detection

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Qian; Chen, Shenna; Zhang, Lingyang; Huang, Haowen, E-mail: hhwn09@163.com; Liu, Fengping [Hunan University of Science and Technology, Key Laboratory of Theoretical Organic Chemistry and Function Molecule, Ministry of Education, Hunan Provincial University Key Laboratory of QSAR/QSPR, School of Chemistry and Chemical Engineering (China); Liu, Xuanyong, E-mail: xyliu@mail.sic.ac.cn [Chinese Academy of Sciences, State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics (China)

    2014-12-15

    In this paper, a facile approach for preparation of AuAgS/Ag{sub 2}S nanoclusters was developed. The unique AuAgS/Ag{sub 2}S nanoclusters capped with biomolecules exhibit interesting excellent optical and catalytic properties. The fluorescent AuAgS/Ag{sub 2}S nanoclusters show tunable luminescence depending on the nanocluster size. The apoptosis assay demonstrated that the AuAgS/Ag{sub 2}S nanoclusters showed low cytotoxicity and good biocompatibility. Therefore, the nanoclusters can be used not only as a probe for labeling cells but also for their photocatalytic activity for photodegradation of organic dye. Moreover, a highly selective and sensitive assay for detection of mercury including Hg{sup 2+} and undissociated mercury complexes was developed based on the quenching fluorescent AuAgS/Ag{sub 2}S nanoclusters, which provides a promising approach for determining various forms of Hg in the mercury-based compounds in environment. These unique nanoclusters may have potential applications in biological labeling, sensing mercury, and photodegradation of various organic pollutants in waste water.Graphical Abstract.

  5. Stabilizing subnanometer Ag(0) nanoclusters by thiolate and diphosphine ligands and their crystal structures

    Science.gov (United States)

    Yang, Huayan; Wang, Yu; Zheng, Nanfeng

    2013-03-01

    The combined use of thiolate and diphosphine as surface ligands helps to stabilize subnanometer Ag(0) nanoclusters, resulting in the successful crystallization of two Ag(0)-containing nanoclusters (Ag16 and Ag32) for X-ray single crystal analysis. Both clusters have core-shell structures with Ag86+ and Ag2212+ as their cores, which are not simply either fragments of face-centered cubic metals or their five-fold twinned counterparts. The clusters display UV-Vis absorption spectra consisting of molecule-like optical transitions.The combined use of thiolate and diphosphine as surface ligands helps to stabilize subnanometer Ag(0) nanoclusters, resulting in the successful crystallization of two Ag(0)-containing nanoclusters (Ag16 and Ag32) for X-ray single crystal analysis. Both clusters have core-shell structures with Ag86+ and Ag2212+ as their cores, which are not simply either fragments of face-centered cubic metals or their five-fold twinned counterparts. The clusters display UV-Vis absorption spectra consisting of molecule-like optical transitions. Electronic supplementary information (ESI) available: Experimental details, more pictures of the structure and XPS spectra of the clusters. CCDC 916463 and 916464. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c3nr34328f

  6. Polymer stabilized Ni-Ag and Ni-Fe alloy nanoclusters: Structural and magnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Kabir, L.; Mandal, A.R. [Department of Physics, Visva-Bharati, Santiniketan-731 235 (India); Mandal, S.K., E-mail: sk_mandal@hotmail.co [Department of Physics, Visva-Bharati, Santiniketan-731 235 (India)

    2010-04-15

    We report here the structural and magnetic behaviors of nickel-silver (Ni-Ag) and nickel-iron (Ni-Fe) nanoclusters stabilized with polymer (polypyrrole). High resolution transmission electron microscopy (HRTEM) indicates Ni-Ag nanoclusters to stabilize in core-shell configuration while that of Ni-Fe nanoclusters in a mixed type of geometry. Structural characterizations by X-ray diffraction (XRD) reveal the possibility of alloying in such bimetallic nanoclusters to some extent even at temperatures much lower than that of bulk alloying. Electron paramagnetic resonance (EPR) spectra clearly reveal two different absorption behaviors: one is ascribed to non-isolated Ni{sup 2+} clusters surrounded by either silver or iron giving rise to a broad signal, other (very narrow signal) being due to the isolated superparamagnetic Ni{sup 2+} clusters or bimetallic alloy nanoclusters. Results obtained for Ni-Ag and Ni-Fe nanoclusters have been further compared with the behavior exhibited by pure Ni nanoclusters in polypyrrole host. Temperature dependent studies (at 300 and 77 K) of EPR parameters, e.g. linewidth, g-value, line shape and signal intensity indicating the significant influence of surrounding paramagnetic silver or ferromagnetic iron within polymer host on the EPR spectra have been presented.

  7. Structural properties of Au and Ag nanoclusters embedded in MgO

    NARCIS (Netherlands)

    Fedorov, A.V.; Veen, A. van; Falub, C.V.; Eijt, S.W.H.; Kooi, B.J.; Hosson, J.Th.M. De; Hibma, T.; Zimmerman, R.L.

    2002-01-01

    Gold and silver nanoclusters embedded in MgO were created by means of ion implantation of 1.0 MeV Au or 600 keV Ag ions to a dose of 10^16 cm–2 into single crystals of MgO(100) and subsequent annealing at 1473 K for a period of 22 h. The structural properties of the nanoclusters were characterised b

  8. Ag29(BDT)12(TPP)4: A Tetravalent Nanocluster

    KAUST Repository

    AbdulHalim, Lina G.

    2015-06-24

    The bottom-up assembly of nanoparticles into diverse ordered solids is a challenge because it requires nanoparticles, which are often quasi-spherical, to have interaction anisotropy akin to atoms and molecules. Typically, anisotropy has been introduced by changing the shape of the inorganic nanoparticle core. Here, we present the design, self-assembly, optical properties and total structural determination of Ag29(BDT)12(TPP)4, an atomically precise tetravalent nanocluster (NC) (BDT: 1,3-benzenedithiols; TPP: triphenylphosphine). It features four unique tetrahedrally symmetrical binding surface sites facilitated by the supramolecular assembly of 12 BDT—wide footprint bidentate thiols—in the ligand shell. When each of these sites was selectively functionalized by a single phosphine ligand, particle stability, synthetic yield and the propensity to self-assemble into macroscopic crystals increased. The solid crystallized NCs have a substantially narrowed optical bandgap compared to that of the solution state, suggesting strong inter-particle electronic coupling occurs in the solid state.

  9. A scalable synthesis of highly stable and water dispersible Ag 44(SR)30 nanoclusters

    KAUST Repository

    AbdulHalim, Lina G.

    2013-01-01

    We report the synthesis of atomically monodisperse thiol-protected silver nanoclusters [Ag44(SR)30] m, (SR = 5-mercapto-2-nitrobenzoic acid) in which the product nanocluster is highly stable in contrast to previous preparation methods. The method is one-pot, scalable, and produces nanoclusters that are stable in aqueous solution for at least 9 months at room temperature under ambient conditions, with very little degradation to their unique UV-Vis optical absorption spectrum. The composition, size, and monodispersity were determined by electrospray ionization mass spectrometry and analytical ultracentrifugation. The produced nanoclusters are likely to be in a superatom charge-state of m = 4-, due to the fact that their optical absorption spectrum shares most of the unique features of the intense and broadly absorbing nanoparticles identified as [Ag44(SR) 30]4- by Harkness et al. (Nanoscale, 2012, 4, 4269). A protocol to transfer the nanoclusters to organic solvents is also described. Using the disperse nanoclusters in organic media, we fabricated solid-state films of [Ag44(SR)30]m that retained all the distinct features of the optical absorption spectrum of the nanoclusters in solution. The films were studied by X-ray diffraction and photoelectron spectroscopy in order to investigate their crystallinity, atomic composition and valence band structure. The stability, scalability, and the film fabrication method demonstrated in this work pave the way towards the crystallization of [Ag44(SR)30]m and its full structural determination by single crystal X-ray diffraction. Moreover, due to their unique and attractive optical properties with multiple optical transitions, we anticipate these clusters to find practical applications in light-harvesting, such as photovoltaics and photocatalysis, which have been hindered so far by the instability of previous generations of the cluster. © 2013 The Royal Society of Chemistry.

  10. Plasmonic resonance of Ag nanoclusters diffused in soda-lime glasses.

    Science.gov (United States)

    Kumar, Promod; Mathpal, Mohan Chandra; Tripathi, Anand Kumar; Prakash, Jai; Agarwal, Arvind; Ahmad, M M; Swart, H C

    2015-04-14

    Silver nanoclusters were prepared in a soda-lime glass matrix through the ion-exchange (Ag(+)↔ Na(+)) method followed by thermal annealing in an air atmosphere. The nanoscale patterning of Ag nanoclusters embedded in a soda lime glass matrix in an air atmosphere at different annealing temperatures has been investigated. During annealing, Ag(+) is reduced to Ag(0) and subsequently forms silver nanoparticles inside the glass matrix. A blue shift of 20 nm has been observed as a function of the post annealing temperature. The photoluminescence intensity is highest for an annealing temperature of 500 °C for 1 h and continuously decreases as annealing temperature increases up to 600 °C. The presence of spherical nanoparticles with a maximum particle size of 7.2 nm has been observed after annealing at 600 °C for 1 hour, which is consistent with Mie theory based results. PMID:25738191

  11. Synthesis and Optical Properties of Au-Ag Alloy Nanoclusters with Controlled Composition

    Directory of Open Access Journals (Sweden)

    J. F. Sánchez-Ramírez

    2008-01-01

    Full Text Available Colloidal solid-solution-like Au-Ag alloy nanoclusters of different compositions were synthesized through citrate reduction of mixed metal ions of low concentrations, without using any other protective or capping agents. Optical absorption of the alloy nanoclusters was studied both theoretically and experimentally. The position of the surface plasmon resonance (SPR absorption band of the nanoclusters could be tuned from 419 nm to 521 nm through the variation of their composition. Considering effective dielectric constant of the alloy, optical absorption spectra for the nanoclusters were calculated using Mie theory, and compared with the experimentally obtained spectra. Theoretically obtained optical spectra well resembled the experimental spectra when the true size distribution of the nanoparticles was considered. High-resolution transmission electron microscopy (HREM, high-angle annular dark field (HAADF imaging, and energy dispersive spectroscopy (EDS revealed the true alloy nature of the nanoparticles with nominal composition being preserved. The synthesis technique can be extended to other bimetallic alloy nanoclusters containing Ag.

  12. Ultrafast static and diffusion-controlled electron transfer at Ag 29 nanocluster/molecular acceptor interfaces

    KAUST Repository

    Aly, Shawkat Mohammede

    2015-10-29

    Efficient absorption of visible light and a long-lived excited state lifetime of silver nanoclusters (Ag29 NCs) are integral properties for these new clusters to serve as light-harvesting materials. Upon optical excitation, electron injection at Ag29 NC/methyl viologen (MV2+) interfaces is very efficient and ultrafast. Interestingly, our femto- and nanosecond time-resolved results demonstrate clearly that both dynamic and static electron transfer mechanisms are involved in photoluminescence quenching of Ag29 NCs. © 2016 The Royal Society of Chemistry.

  13. The Nucleation and Growth Mechanism of Thiolate-Protected Au Nanoclusters.

    Science.gov (United States)

    Liu, Chunyan; Pei, Yong; Sun, Hui; Ma, Jing

    2015-12-23

    The understanding of the evolution mechanism of thiolate-protected Au nanoclusters from the homoleptic Au(I)-SR clusters to core-stacked ones is crucial for the synthesis of novel thiolated Au clusters. In this work, the global search for a series of "intermediate" Aum(SR)n clusters with m and n ranging from 5 to 12 was implemented by combining basin hopping algorithm, genetic algorithm, and density functional theory (DFT) calculations. Most of Aum(SR)n clusters possess the core-shell structure. Specifically, some typical topologies, such as tetrahedral Au4, triangular bipyramid Au5, octahedral Au6, and vertex-shared Au7, are found to be dominant within the inner core of various clusters. Along with the increase in the number of gold atoms and thiolates, the preliminary nucleation and growth processes of both inner-core and staple-motif protecting units are grouped into three kinds of size evolution routes, i.e., core growth, core dissolution, and staple-motif growth, respectively. Some metastable isomers may also play an important role in the evolution of clusters. The core structures in the lowest-lying isomers and some metastable isomers are similar to the intact or part of the cores found in experimentally detected species. Both the lowest-lying and metastable intermediate clusters may serve as the building block for the further growth. These results rationalize the preliminary nucleation in the "reduction growth" stage, shedding light on the size-evolution mechanism of RS-AuNPs. PMID:26605978

  14. Optical and magnetic properties of Cu-doped 13-atom Ag nanoclusters

    Energy Technology Data Exchange (ETDEWEB)

    Rao, Yi [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xian 710072 (China); Lei, Yimin [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xian 710072 (China); Australian Centre for Microscopy and Microanalysis, The University of Sydney, Sydney, New South Wales 2006 (Australia); Cui, Xiangyuan [Australian Centre for Microscopy and Microanalysis, The University of Sydney, Sydney, New South Wales 2006 (Australia); School of Aerospace Mechanical and Mechatronic Engineering, The University of Sydney, Sydney, New South Wales 2006 (Australia); Liu, Zongwen, E-mail: fuyichen@nwpu.edu.cn [Australian Centre for Microscopy and Microanalysis, The University of Sydney, Sydney, New South Wales 2006 (Australia); Chen, Fuyi, E-mail: zongwen.liu@sydney.edu.au [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xian 710072 (China)

    2013-07-15

    Highlights: •Cu atom tends to occupy the core position in the Ag–Cu nanoclusters. •Global minimum of Ag{sub 12}Cu{sub 1} cluster is predicted to be cuboctahedral shape. •High symmetry clusters have high magnetic moment. •Icosahedral core–shell Ag{sub 12}Cu{sub 1} cluster has ferromagnetic properties. -- Abstract: The structural, optical and magnetic properties of Ag{sub 13}, Ag{sub 12}Cu{sub 1} and Cu{sub 13} clusters have been investigated using density functional theory calculations. The global minimum of the Ag{sub 12}Cu{sub 1} cluster is predicted to be cuboctahedral (COh) core–shell structure with O{sub h} point group symmetry while the icosahedral (Ih) core–shell isomer has a higher HOMO–LUMO gap and higher magnetic moment. The optical absorption spectrum of the Ih Ag{sub 12}Cu{sub 1} has three absorption peaks at 2.17, 2.41 and 2.65 eV, compared with that the COh Ag{sub 12}Cu{sub 1} has one main absorption peak at 2.51 eV. The characteristics in electronic density of states (DOSs) show that Ih core–shell Ag{sub 12}Cu{sub 1} has ferromagnetic properties like pure Au{sub 13}, Ag{sub 13} nanoclusters. The sizable split between spin up and spin down DOS of d states in the inner Cu atom and sp states in the outer Ag atoms bring in large magnetic moment to Ih Ag{sub 12}Cu{sub 1} cluster.

  15. Charge-transfer optical absorption mechanism of DNA:Ag-nanocluster complexes

    Science.gov (United States)

    Longuinhos, R.; Lúcio, A. D.; Chacham, H.; Alexandre, S. S.

    2016-05-01

    Optical properties of DNA:Ag-nanoclusters complexes have been successfully applied experimentally in Chemistry, Physics, and Biology. Nevertheless, the mechanisms behind their optical activity remain unresolved. In this work, we present a time-dependent density functional study of optical absorption in DNA:Ag4. In all 23 different complexes investigated, we obtain new absorption peaks in the visible region that are not found in either the isolated Ag4 or isolated DNA base pairs. Absorption from red to green are predominantly of charge-transfer character, from the Ag4 to the DNA fragment, while absorption in the blue-violet range are mostly associated to electronic transitions of a mixed character, involving either DNA-Ag4 hybrid orbitals or intracluster orbitals. We also investigate the role of exchange-correlation functionals in the calculated optical spectra. Significant differences are observed between the calculations using the PBE functional (without exact exchange) and the CAM-B3LYP functional (which partly includes exact exchange). Specifically, we observe a tendency of charge-transfer excitations to involve purines bases, and the PBE spectra error is more pronounced in the complexes where the Ag cluster is bound to the purines. Finally, our results also highlight the importance of adding both the complementary base pair and the sugar-phosphate backbone in order to properly characterize the absorption spectrum of DNA:Ag complexes.

  16. Ag nanocluster/DNA hybrids: functional modules for the detection of nitroaromatic and RDX explosives.

    Science.gov (United States)

    Enkin, Natalie; Sharon, Etery; Golub, Eyal; Willner, Itamar

    2014-08-13

    Luminescent Ag nanoclusters (NCs) stabilized by nucleic acids are implemented as optical labels for the detection of the explosives picric acid, trinitrotoluene (TNT), and hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). The sensing modules consist of two parts, a nucleic acid with the nucleic acid-stabilized Ag NCs and a nucleic acid functionalized with electron-donating units, including L-DOPA, L-tyrosine and 6-hydroxy-L-DOPA, self-assembled on a nucleic acid scaffold. The formation of donor-acceptor complexes between the nitro-substituted explosives, exhibiting electron-acceptor properties, and the electron-donating sites, associated with the sensing modules, concentrates the explosives in close proximity to the Ag NCs. This leads to the electron-transfer quenching of the luminescence of the Ag NCs by the explosive molecule. The quenching of the luminescence of the Ag NCs provides a readout signal for the sensing process. The sensitivities of the analytical platforms are controlled by the electron-donating properties of the donor substituents, and 6-hydroxy-L-DOPA was found to be the most sensitive donor. Picric acid, TNT, and RDX are analyzed with detection limits corresponding to 5.2 × 10(-12) M, 1.0 × 10(-12) M, and 3.0 × 10(-12) M, respectively, using the 6-hydroxy-L-DOPA-modified Ag NCs sensing module.

  17. Ice nucleation efficiency of AgI: review and new insights

    Science.gov (United States)

    Marcolli, Claudia; Nagare, Baban; Welti, André; Lohmann, Ulrike

    2016-07-01

    AgI is one of the best-investigated ice-nucleating substances. It has relevance for the atmosphere since it is used for glaciogenic cloud seeding. Theoretical and experimental studies over the last 60 years provide a complex picture of silver iodide as an ice-nucleating agent with conflicting and inconsistent results. This review compares experimental ice nucleation studies in order to analyze the factors that influence the ice nucleation ability of AgI. The following picture emerges from this analysis: the ice nucleation ability of AgI seems to be enhanced when the AgI particle is on the surface of a droplet, which is indeed the position that a particle takes when it can freely move in a droplet. The ice nucleation by particles with surfaces exposed to air depends on water adsorption. AgI surfaces seem to be most efficient at nucleating ice when they are exposed to relative humidity at or even above water saturation. For AgI particles that are completely immersed in water, the freezing temperature increases with increasing AgI surface area. Higher threshold freezing temperatures seem to correlate with improved lattice matches as can be seen for AgI-AgCl solid solutions and 3AgI·NH4I·6H2O, which have slightly better lattice matches with ice than AgI and also higher threshold freezing temperatures. However, the effect of a good lattice match is annihilated when the surfaces have charges. Also, the ice nucleation ability seems to decrease during dissolution of AgI particles. This introduces an additional history and time dependence for ice nucleation in cloud chambers with short residence times.

  18. An intermetallic Au24Ag20 superatom nanocluster stabilized by labile ligands.

    Science.gov (United States)

    Wang, Yu; Su, Haifeng; Xu, Chaofa; Li, Gang; Gell, Lars; Lin, Shuichao; Tang, Zichao; Häkkinen, Hannu; Zheng, Nanfeng

    2015-04-01

    An intermetallic nanocluster containing 44 metal atoms, Au24Ag20(2-SPy)4(PhC≡C)20Cl2, was successfully synthesized and structurally characterized by single-crystal analysis and density funtional theory computations. The 44 metal atoms in the cluster are arranged as a concentric three-shell Au12@Ag20@Au12 Keplerate structure having a high symmetry. For the first time, the co-presence of three different types of anionic ligands (i.e., phenylalkynyl, 2-pyridylthiolate, and chloride) was revealed on the surface of metal nanoclusters. Similar to thiolates, alkynyls bind linearly to surface Au atoms using their σ-bonds, leading to the formation of two types of surface staple units (PhC≡C-Au-L, L = PhC≡C(-) or 2-pyridylthiolate) on the cluster. The co-presence of three different surface ligands allows the site-specific surface and functional modification of the cluster. The lability of PhC≡C(-) ligands on the cluster was demonstrated, making it possible to keep the metal core intact while removing partial surface capping. Moreover, it was found that ligand exchange on the cluster occurs easily to offer various derivatives with the same metal core but different surface functionality and thus different solubility.

  19. DFT study of selective hydrogenation of acetylene to ethylene on Pd doping Ag nanoclusters

    Science.gov (United States)

    Liu, D.

    2016-11-01

    Recently, it has been reported that the reaction selectivity of catalytic hydrogenation of acetylene to ethylene can be significantly enhanced via the approach of Pd mono-atomic catalysis [Pei et al. ACS Catal. 5 (2015) 3717-3725]. To explain the catalytic mechanism of this binary alloy catalyst, C2H2 hydrogenation reactions on Pd doping Ag nanoclusters are studied using density functional theory simulations. The simulation results indicate that H2 and C2H2 can simultaneously bind with a single Pd doping atom no matter it is on vertex and edge sites of Ag clusters. The following H2 dissociation and C2H2 hydrogenation are not difficult since the corresponding reaction barrier values are no more than 0.58 eV. The generated C2H4 molecule can not be further hydrogenated since it locates on the top of Pd doping atom, which is the only adsorption site for H2. On two Pd doping atoms at contiguous sites of Ag clusters, C2H4 hydrogenation reactions can be carried out since there are enough sites for co-adsorption of H2 and C2H4.

  20. Simulations of Ice Nucleation by Model AgI Disks and Plates.

    Science.gov (United States)

    Zielke, Stephen A; Bertram, Allan K; Patey, G N

    2016-03-10

    Silver iodide is one of the most effective ice nuclei known. We use molecular dynamics simulations to investigate ice nucleation by AgI disks and plates with radii ranging from 1.15 to 2.99 nm. It is shown that disks and plates in this size range are effective ice nuclei, nucleating bulk ice at temperatures as warm as 14 K below the equilibrium freezing temperature, on simulation time scales (up to a few hundred nanoseconds). Ice nucleated on the Ag exposed surface of AgI disks and plates. Shortly after supercooling an ice cluster forms on the AgI surface. The AgI-stabilized ice cluster fluctuates in size as time progresses, but, once formed, it is constantly present. Eventually, depending on the disk or plate size and the degree of supercooling, a cluster fluctuation achieves critical size, and ice nucleates and rapidly grows to fill the simulation cell. Larger AgI disks and plates support larger ice clusters and hence can nucleate ice at warmer temperatures. This work may be useful for understanding the mechanism of ice nucleation on nanoparticles and active sites of larger atmospheric particles. PMID:26878341

  1. Tuning Ag29 nanocluster light emission from red to blue with one and two-photon excitation.

    Science.gov (United States)

    Russier-Antoine, Isabelle; Bertorelle, Franck; Hamouda, Ramzi; Rayane, Driss; Dugourd, Philippe; Sanader, Željka; Bonačić-Koutecký, Vlasta; Brevet, Pierre-François; Antoine, Rodolphe

    2016-02-01

    We demonstrate that the tuning of the light emission from red to blue in dihydrolipoic acid (DHLA) capped Ag29 nanoclusters can be trigged with one and two photon excitations. The cluster stoichiometry was determined with mass spectrometry and found to be Ag29(DHLA)12. In a detailed optical investigation, we show that these silver nanoclusters exhibit a strong red photoluminescence visible to the naked eye and characterized by a quantum yield of nearly ∼2% upon one-photon excitation. In the nonlinear optical (NLO) study of the properties of the clusters, the two-photon excited fluorescence spectra were recorded and their first hyperpolarizability obtained. The two-photon absorption cross-section at ∼800 nm for Ag29(DHLA)12 is higher than 10(4) GM and the hyperpolarizability is 106 × 10(-30) esu at the same excitation wavelength. The two-photon excited fluorescence spectrum appears strongly blue-shifted as compared to the one-photon excited spectrum, displaying a broad band between 400 and 700 nm. The density functional theory (DFT) provides insight into the structural and electronic properties of Ag29(DHLA)12 as well as into interplay between metallic subunit or core and ligands which is responsible for unique optical properties. PMID:26765164

  2. From monomer to monolayer: a global optimisation study of (ZnO)n nanoclusters on the Ag surface.

    Science.gov (United States)

    Demiroglu, Ilker; Woodley, Scott M; Sokol, Alexey A; Bromley, Stefan T

    2014-12-21

    We employ global optimisation to investigate how oxide nanoclusters of increasing size can best adapt their structure to lower the system energy when interacting with a realistic extended metal support. Specifically, we focus on the (ZnO)@Ag(111) system where experiment has shown that the infinite Ag(111)-supported ZnO monolayer limit corresponds to an epitaxially 7 : 8 matched graphene-like (Zn(3)O(3))-based hexagonal sheet. Using a two-stage search method based on classical interatomic potentials and then on more accurate density functional theory, we report global minina candidate structures for Ag-supported (ZnO)n cluster with sizes ranging from n = 1-24. Comparison with the respective global minina structure of free space (ZnO)n clusters reveals that the surface interaction plays a decisive role in determining the lowest energy Ag-supported (ZnO)n cluster structures. Whereas free space (ZnO)n clusters tend to adopt cage-like bubble structures as they grow larger, Ag-supported (ZnO)n clusters of increasing size become progressively more like planar cuts from the infinite graphene-like ZnO single monolayer. This energetic favourability for planar hexagonal Ag-supported clusters over their 3D counterparts can be partly rationalised by the ZnO-Ag(111) epitaxial matching and the increased number of close interactions with the Ag surface. Detailed analysis shows that this tendency can also be attributed to the capacity of 2D clusters to distort to improve their interaction with the Ag surface relative to more rigid 3D bubble cluster isomers. For the larger sized clusters we find that the adsorption energies and most stable structural types appear to be rather converged confirming that our study makes a bridge between the Ag-supported ZnO monomer and the infinite Ag-supported ZnO monolayer.

  3. Monodispersed bimetallic PdAg nanoparticles with twinned structures: Formation and enhancement for the methanol oxidation

    OpenAIRE

    Zhen Yin; Yining Zhang; Kai Chen; Jing Li; Wenjing Li; Pei Tang; Huabo Zhao; Qingjun Zhu; Xinhe Bao; Ding Ma

    2014-01-01

    Monodispersed bimetallic PdAg nanoparticles can be fabricated through the emulsion-assisted ethylene glycol (EG) ternary system. Different compositions of bimetallic PdAg nanoparticles, Pd80Ag20, Pd65Ag35 and Pd46Ag54 can be obtained via adjusting the reaction parameters. For the formation process of the bimetallic PdAg nanoparticles, there have two-stage growth processes: firstly, nucleation and growth of the primary nanoclusters; secondly, formation of the secondary nanoparticles with the s...

  4. Quantum sized Ag nanocluster assisted fluorescence enhancement in Tm3+-Yb3+ doped optical fiber beyond plasmonics

    International Nuclear Information System (INIS)

    We report a process for enhancing fluorescence emission from conventional rare earth ions in optical fiber by metal nanocluster (MNC) in nonresonant indirect pumping. The process is completely different from formal metal enhanced fluorescence phenomenon as the MNCs are too small in size to support localized surface plasmon and the excitation wavelength is far from plasmon resonance frequency. We used an established theory of two coupled oscillators to explain the simultaneous enhancement of Ytterbium (Yb3+) and Thulium (Tm3+) emission by silver (Ag) NCs under nonresonant pumping in optical fiber. The fiber is pumped with a 980 nm fiber pigtailed laser diode with input power of 20–100 mW to excite the Yb3+. Four times enhancement of Yb3+ emission of 900–1100 nm and Tm3+ upconversion emission around 474 nm, 650 nm, and 790 nm is observed in the fiber with Ag NCs

  5. Nucleation and growth mechanism of Ag precipitates in a CuAgZr alloy

    Energy Technology Data Exchange (ETDEWEB)

    Piyawit, W.; Xu, W.Z. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695 (United States); Mathaudhu, S.N. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695 (United States); Materials Science Division, US Army Research Office, Research Triangle Park, NC 27709 (United States); Freudenberger, J. [IFW Dresden, Institute for Metallic Materials, P.O. 270116, D-01171 Dresden (Germany); Technische Universität Bergakademie Freiberg, Institute of Materials Science, Gustav-Zeuner-Str. 5, 09959 Freiberg (Germany); Rigsbee, J.M. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695 (United States); Zhu, Y.T., E-mail: ytzhu@ncsu.edu [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695 (United States)

    2014-07-29

    CuAgZr alloy is a variant of the CuAg alloy that is developed for high strength and high conductivity applications. Its strengthening is accomplished mainly by the precipitation of Ag precipitates, which tend to align on {111} planes in the Cu matrix. This alignment has been reported to be caused by stacking faults on {111} planes. Contrary to these reports, this research presents evidence for Ag precipitates formation on {111} planes due to the minimization of elastic energy. The Ag precipitates were formed by clustering of Ag atoms while maintaining the fcc crystal structure of the matrix. They have faceted {111} interfaces with the matrix. The thickening of precipitates appears to be by the ledge growth mechanism, which is resulted in by misfit dislocation networks on the interface.

  6. A label-free fluorescent molecular beacon based on DNA-Ag nanoclusters for the construction of versatile Biosensors.

    Science.gov (United States)

    Cao, Qiao; Teng, Ye; Yang, Xuan; Wang, Jin; Wang, Erkang

    2015-12-15

    In this paper, we developed a simple, low-cost and sensitive DNA sequences detection biosensor based on a label-free molecular beacon (MB) whose DNA hairpin structure terminal has a guanine-rich sequence that can enhance fluorescence of silver nanoclusters (Ag NCs). Without hybridization between hairpin probe and target DNA, the Ag NCs presented bright fluorescence for the proximity of guanine-rich sequences (GRSs). After binding with target DNA, the hairpin shape was destroyed which results in a decrease of the Ag NCs fluorescence intensity. With this biosensor, we detected three disease-related genes that were the human immunodeficiency virus (HIV) gene, hepatitis B virus (HBV) gene and human T-lymphotropic virus type I (HTLV-I) gene. The detection limits based on S/N of 3 were 4.4 nM, 6.8 nM and 8.5 nM for HIV gene, HBV gene and HTLV-I gene, respectively. Our sensor was also of high selectivity and could distinguish even one nucleotide mismatched target.

  7. Irradiation induced dissolution of Cu and growth of Ag nanoclusters in Cu/Ag ion-exchanged soda-lime glass

    CERN Document Server

    Manikandan, D; Magudapathy, P; Nair, K G M

    2002-01-01

    Complex metal nanoclusters of Cu/Ag are formed in a soda-lime glass matrix by sequential copper and silver ion-exchange followed by ion irradiation. Optical absorption measurements showed signature of copper clusters alone in the Cu/Ag ion-exchanged sample. Irradiation of the ion-exchanged sample with He sup + ions of energy 100 keV of different fluences resulted in the growth of the silver clusters with, the optical absorption spectrum exhibiting two peaks corresponding to the surface plasmon resonance of copper and silver in the same matrix. It was found that with increase in fluence the silver clusters begin to grow while the already formed copper clusters segregate, which can be visualized from the absorption spectra, where the copper band disappears while the silver band grows with the increase in dose. Vacuum annealing of the Cu/Ag ion-exchanged samples resulted in complete disappearance of copper clusters while the silver clusters grew till they attained saturation. The glancing incidence X-ray diffrac...

  8. Nano-Nucleation Characteristic of Cu-Ag Alloy Directly Electrodeposited on W Diffusion Barrier for Microelectronic Device Interconnect.

    Science.gov (United States)

    Kim, Kang O; Kim, Sunjung

    2016-05-01

    Cu-Ag alloy interconnect is promising for ultra-large-scale integration (ULSI) microelectronic system of which device dimension keeps shrinking. In this study, seedless electrodeposition of Cu-Ag alloy directly on W diffusion barrier as interconnect technology is presented in respect of nano-nucleation control. Chemical equilibrium state of electrolyte was fundamentally investigated according to the pH of electrolyte because direct nano-nucleation of Cu-Ag alloy on W surface is challenging. Chelation behavior of Cu2+ and Ag+ ions with citrate (Cit) and ammonia ligands was dependent on the pH of electrolyte. The amount and kind of Cu- and Ag-based complexes determine the deposition rate, size, elemental composition, and surface morphology of Cu-Ag alloy nano-nuclei formed on W surface. PMID:27483895

  9. Compound Ag nanocluster-graphene electrodes as transparent and current spreading electrodes for improved light output power in near-ultraviolet light emitting diodes

    International Nuclear Information System (INIS)

    We introduced a two-dimensional graphene network on a Ag nanocluster as a transparent and current spreading electrode (TCSE) for a near-ultraviolet light emitting diode (NUV-LED), and compared the performance with those with graphene electrodes or conventional indium tin oxide (ITO) electrodes. The current–voltage characteristics and electroluminescence (EL) data showed that compound Ag nanocluster-graphene (CA-G) electrodes operated well as TCSEs in NUV-LED devices. The forward voltage at an input current of 20 mA was 4.06 V for the NUV-LED of current spreading electrodes with CA-G electrodes, which is only slightly higher than the value 3.96 V with ITO electrodes as TCSEs. The EL intensity of NUV-LEDs with CA-G electrodes also showed a slight increase, compared to that of NUV-LEDs with planar ITO transparent conducting electrodes. (paper)

  10. Locking-to-unlocking system is an efficient strategy to design DNA/silver nanoclusters (AgNCs) probe for human miRNAs

    DEFF Research Database (Denmark)

    Shah, Pratik; Choi, Suk Won; Kim, Ho-jin;

    2016-01-01

    MicroRNAs (miRNAs), small non-coding RNA molecules, are important biomarkers for research and medical purposes. Here, we describe the development of a fast and simple method using highly fluorescent oligonucleotide-silver nanocluster probes (DNA/AgNCs) to efficiently detect specific miRNAs. Due t...... detect a number of cancer related miRNAs in RNA extracts from human cancer cell lines....

  11. Synthesis, structure and gas-phase reactivity of the mixed silver hydride borohydride nanocluster [Ag3(μ3-H)(μ3-BH4)L(Ph)3]BF4 (L(Ph) = bis(diphenylphosphino)methane).

    Science.gov (United States)

    Zavras, Athanasios; Ariafard, Alireza; Khairallah, George N; White, Jonathan M; Mulder, Roger J; Canty, Allan J; O'Hair, Richard A J

    2015-11-21

    Borohydrides react with silver salts to give products that span multiple scales ranging from discrete mononuclear compounds through to silver nanoparticles and colloids. The cluster cations [Ag3(H)(BH4)L3](+) are observed upon electrospray ionization mass spectrometry of solutions containing sodium borohydride, silver(I) tetrafluoroborate and bis(dimethylphosphino)methane (L(Me)) or bis(diphenylphosphino)methane (L(Ph)). By adding NaBH4 to an acetonitrile solution of AgBF4 and L(Ph), cooled to ca. -10 °C, we have been able to isolate the first mixed silver hydride borohydride nanocluster, [Ag3(μ3-H)(μ3-BH4)L(Ph)3]BF4, and structurally characterise it via X-ray crystallography. Combined gas-phase experiments (L(Me) and L(Ph)) and DFT calculations (L(Me)) reveal how loss of a ligand from the cationic complexes [Ag3(H)(BH4)L3](+) provides a change in geometry that facilitates subsequent loss of BH3 to produce the dihydride clusters, [Ag3(H)2Ln](+) (n = 1 and 2). Together with the results of previous studies (Girod et al., Chem. - Eur. J., 2014, 20, 16626), this provides a direct link between mixed silver hydride/borohydride nanoclusters, silver hydride nanoclusters, and silver nanoclusters.

  12. Plasmon-exciton coupling at Ag nanocluster decorated TiO2(110) surface studied by time-resolved two-photon photoemission spectroscopy

    Science.gov (United States)

    Tan, Shijing; Argondizzo, Adam; Petek, Hrvoje

    We study the spectroscopy and electron dynamics at Ag nanocluster decorated TiO2(110) surface upon photoexcitation of plasmonic modes by two-photon photoemission spectroscopy (2PP). Depositing Ag onto a reduced rutile TiO2(110) surface at room temperature forms pancake-like Ag particles with an average diameter of 4 nm and height of 1.5 nm. Measurements of the 2PP yield from Ag/TiO2 surface with tunable femtosecond laser excitation show enhancement at plasmonic resonances. Exciting with s-polarization (S -->) the plasmonic resonance enhancement has a single peak at 3.1 eV, whereas with p-polarization (P -->) there is an additional more intense resonance at 3.8 eV. We attribute the 3.1 and 3.8 eV peaks to the in-plane and the surface-normal plasmon modes respectively. Crystal azimuth orientation dependent excitation with (S -->) shows an anisotropy in the 2PP spectra for the 3.1 eV in-plane plasmon mode when the laser electric field is aligned in the [001] vs. [ 1 1 0 ] directions. The existence of two plasmon modes and the in-plane plasmon anisotropy imply that the plasmon modes are perturbed by coherent coupling with excitons in the rutile TiO2 substrate. We speculate that plasmon-exciton resonant energy transfer could play an important role in the plasmonically enhanced photocatalysis at the Ag/TiO2 surface.

  13. Quantum sized Ag nanocluster assisted fluorescence enhancement in Tm{sup 3+}-Yb{sup 3+} doped optical fiber beyond plasmonics

    Energy Technology Data Exchange (ETDEWEB)

    Chattopadhyay, Rik; Haldar, Arindam; Paul, Mukul C.; Das, Shyamal; Bhadra, Shyamal K., E-mail: skbhadra@cgcri.res.in [Fiber Optics and Photonics Division, CSIR-Central Glass and Ceramic Research Institute, 196, Raja S. C. Mullick Road, Kolkata 700032 (India)

    2015-12-07

    We report a process for enhancing fluorescence emission from conventional rare earth ions in optical fiber by metal nanocluster (MNC) in nonresonant indirect pumping. The process is completely different from formal metal enhanced fluorescence phenomenon as the MNCs are too small in size to support localized surface plasmon and the excitation wavelength is far from plasmon resonance frequency. We used an established theory of two coupled oscillators to explain the simultaneous enhancement of Ytterbium (Yb{sup 3+}) and Thulium (Tm{sup 3+}) emission by silver (Ag) NCs under nonresonant pumping in optical fiber. The fiber is pumped with a 980 nm fiber pigtailed laser diode with input power of 20–100 mW to excite the Yb{sup 3+}. Four times enhancement of Yb{sup 3+} emission of 900–1100 nm and Tm{sup 3+} upconversion emission around 474 nm, 650 nm, and 790 nm is observed in the fiber with Ag NCs.

  14. Energies controlling nucleation and growth processes: The case of Ag/W(110)

    DEFF Research Database (Denmark)

    Jones, G. W.; Marcano, J. M.; Nørskov, Jens Kehlet;

    1990-01-01

    .25±0.05, diffusion energy Ed=0.15±0.10, and adsorption energy Ea=2.2±0.1 eV. Values for Ag/Ag(111) are calculated in effective-medium theory, giving Ea=2.23, Eb=0.28, Ed=0.12, and Ed+2Eb=0.68 eV. Observations on vicinal and impure surfaces are reported, and implications for defect binding energies discussed....

  15. Nucleation, growth, and dissolution of Ag nanostructures formed in nanotubular J-aggregates of amphiphilic cyanine dyes

    CERN Document Server

    Polzer, Egon Steeg Frank; Qiao, Yan; Rabe, Jürgen P; Kirstein, Stefan

    2015-01-01

    The nucleation, growth, and dissolution of silver nanowires within tubular aggregates of the dye C8S3 are investigated. The tubular aggregates are formed in aqueous solution from amphiphilic dyes and the silver wires are grown from silver salt. Samples were investigated systematically and in detail using cryo-TEM and TEM at different time steps after addition of silver salt (AgNO3) and short illumination with blue light (420 nm) for production of nuclei. The enhanced concentration of silver ions in proximity of the aggregates surface leads to favoured growth of seeds at or within the aggregates. The early stage of the seed growth is observable by cryo-TEM and shows to be well separated and isolated. There are no indications that nuclei are formed at preferred defect sites at the aggregates which is interpreted as homogeneous nucleation. The spatial position of the majority of initially formed seeds discriminates between growth of particles at the outer surface of the aggregate or wires at the inner space. The...

  16. Gas-phase VUV photoionisation and photofragmentation of the silver deuteride nanocluster [Ag10D8L6](2+) (L = bis(diphenylphosphino)methane). A joint experimental and theoretical study.

    Science.gov (United States)

    Daly, Steven; Krstić, Marjan; Giuliani, Alexandre; Antoine, Rodolphe; Nahon, Laurent; Zavras, Athanasios; Khairallah, George N; Bonačić-Koutecký, Vlasta; Dugourd, Philippe; O'Hair, Richard A J

    2015-10-21

    The bis(diphenylphosphino)methane (L = Ph2PCH2PPh2) ligated silver deuteride nanocluster dication, [Ag10D8L6](2+), has been synthesised in the condensed phase via the reaction of bis(diphenylphosphino)methane, silver nitrate and sodium borodeuteride in the methanol : chloroform (1 : 1) mixed solvent system. The photoionisation and photofragmentation of this mass-selected cluster were studied using a linear ion trap coupled to the DESIRS VUV beamline of the SOLEIL Synchrotron. At 15.5 eV the main ionic products observed are [Ag10D8L5](2+), [Ag10D8L4](2+), [Ag10D8L6](3+)˙, [Ag9D8L4](2+)˙, and [AgL2](+). The later two products arise from fragmentation of [Ag10D8L6](3+)˙. An analysis of the yields of these product ions as a function of the photon energy reveals the onset for the formation of [AgL2](+) and [Ag9D8L4](2+)˙ is around 2 eV higher than that for ionisation to produce [Ag10D8L5](3+)˙. The onset of ionisation energy of [Ag10D8L6](2+) was determined to be 9.3 ± 0.3 eV from a fit of the yield of the product ion, [Ag10D8L6](3+)˙, as a function of the VUV photon energy. DFT calculations at the RI-PBE/RECP-def2-SVP level of theory were carried out to search for a possible structure of the cluster and to estimate its vertical and adiabatic ionisation energies. The calculated lowest energy structure of the [Ag10D8L6](2+) nanocluster contains a symmetrical bicapped square antiprism as a silver core in which hydrides are located as a mix of triangular faces and edges. Four of the bisphosphines bind to the edges of the cluster core as bidentate ligands, the remaining two bisphosphines bind via a single phosphorus donor atom to each of the apical silver atoms. The DFT calculated adiabatic ionisation energy for this structure is 8.54 eV, in satisfactory agreement with experiment. PMID:25827635

  17. A sensitive spectrofluorometric method for detection of berberine hydrochloride using Ag nanoclusters directed by natural fish sperm DNA.

    Science.gov (United States)

    Liang, Sheng; Kuang, Yangfang; Ma, Fangfang; Chen, Shu; Long, Yunfei

    2016-11-15

    A novel DNA-directed AgNCs (DNA-AgNCs) was synthesized with economical raw material (natural fish sperm DNA) through a simple and rapid approach, and it first showed high and stable fluorescence emission as a AgNCs stabilized by natural DNA at about 635nm. Moreover, its emission intensity could be enhanced tremendously in acetic acid (HAc) medium. Whereas, when berberine hydrochloride (BRH) entered the solution system, it would interact and combine efficiently with DNA on the surface of AgNCs, which could lead to subtle change of charge distribution on its surface, and make it more lyophobic, inducing aggregation of DNA-AgNCs. As a result, fluorescence of the system was quenched visually; the process represented a color variance from yellow to hot pink under HAc medium, then back to yellowish-brown when BRH worked. Based on above phenomenon, a selective and accurate spectrofluorometric method for BRH detection was established. It can be applied to detect trace amounts of BRH in aqueous solution in the linear range from 1.0nM to 2000.0nM; and the detection limit (3σ/k) was 0.3nM, which is pretty lower compared to most reported spectral methods. Simultaneously, a semi-quantitative determination by visual evaluation from 5.0nM to 2000.0nM was also achieved. This method provided excellent selectivity for the detection of BRH in the presence of ten kinds of common natural amino acids and nine kinds of common mental ions. Furthermore, the BRH content in compound berberine tablets from drugstore was successfully investigated by this method and the results showed high accuracy. PMID:27266661

  18. Radiation-sustained nanocluster metastability in oxide dispersion strengthened materials

    Science.gov (United States)

    Ribis, J.; Bordas, E.; Trocellier, P.; Serruys, Y.; de Carlan, Y.; Legris, A.

    2015-12-01

    ODS materials constitute a new promising class of structural materials for advanced fission and fusion energy application. These Fe-Cr based ferritic steels contain ultra-high density of dispersion-strengthening nanoclusters conferring excellent mechanical properties to the alloy. Hence, guarantee the nanocluster stability under irradiation remain a critical issue. Nanoclusters are non-equilibrium multicomponent compounds (YTiCrO) forming through a complex nucleation pathway during the elaboration process. In this paper, it is proposed to observe the response of these nanoclusters when the system is placed far from equilibrium by means of ion beam. The results indicate that the Y, Ti, O and Cr atoms self-organized so that nanoclusters coarsened but maintain their non-equilibrium chemical composition. It is discussed that the radiation-sustained nanocluster metastability emerges from cooperative effects: radiation-induced Ostwald ripening, permanent creation of vacancies in the clusters, and fast Cr diffusion mediated by interstitials.

  19. Vacancy-controlled ultrastable nanoclusters in nanostructured ferritic alloys

    OpenAIRE

    Zhang, Z. W.; Yao, L.; Wang, X. -L.; Miller, M K

    2015-01-01

    A new class of advanced structural materials, based on the Fe-O-vacancy system, has exceptional resistance to high-temperature creep and excellent tolerance to extremely high-dose radiation. Although these remarkable improvements in properties compared to steels are known to be associated with the Y-Ti-O-enriched nanoclusters, the roles of vacancies in facilitating the nucleation of nanoclusters are a long-standing puzzle, due to the experimental difficulties in characterizing vacancies, part...

  20. Monodispersed bimetallic PdAg nanoparticles with twinned structures: Formation and enhancement for the methanol oxidation

    Science.gov (United States)

    Yin, Zhen; Zhang, Yining; Chen, Kai; Li, Jing; Li, Wenjing; Tang, Pei; Zhao, Huabo; Zhu, Qingjun; Bao, Xinhe; Ma, Ding

    2014-03-01

    Monodispersed bimetallic PdAg nanoparticles can be fabricated through the emulsion-assisted ethylene glycol (EG) ternary system. Different compositions of bimetallic PdAg nanoparticles, Pd80Ag20, Pd65Ag35 and Pd46Ag54 can be obtained via adjusting the reaction parameters. For the formation process of the bimetallic PdAg nanoparticles, there have two-stage growth processes: firstly, nucleation and growth of the primary nanoclusters; secondly, formation of the secondary nanoparticles with the size-selection and relax process via the coalescence or aggregation of the primary nanoclusters. The as-prepared PdAg can be supported on the carbon black without any post-treatment, which exhibited high electro-oxidation activity towards methanol oxidation under alkaline media. More importantly, carbon-supported Pd80Ag20 nanoparticles reveal distinctly superior activities for the methanol oxidation, even if compared with commercial Pt/C electro-catalyst. It is concluded that the enhanced activity is dependant on the unique twinning structure with heterogeneous phase due to the dominating coalescence growth in EG ternary system.

  1. A new signal-on method for the detection of protein based on binding-induced strategy and photoinduced electron transfer between Ag nanoclusters and split G-quadruplex-hemin complexes

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Kai, E-mail: zhangkai@jsinm.org; Wang, Ke; Zhu, Xue; Xie, Minhao

    2015-08-05

    Proteins play important roles in biological and cellular processes. The levels of proteins can be useful biomarkers for cellular events or disease diagnosis, thus the method for sensitive and selective detection of proteins is imperative to proteins express, study, and clinical diagnosis. Herein, we report a “signal-on” platform for the assay of protein based on binding-induced strategy and photoinduced electron transfer between Ag nanoclusters and split G-quadruplex-hemin complexes. By using biotin as the affinity ligand, this simple protocol could sensitively detect streptavidin with a detection limit down to 10 pM. With the use of an antibody as the affinity ligand, a method for homogeneous fluorescence detection of Prostate Specific Antigen (PSA) was also proposed with a detection limit of 10 pM. The one-step and wash-free assay showed good selectivity. Its high sensitivity, acceptable accuracy, and satisfactory versatility of analytes led to various applications in bioanalysis. - Highlights: • AgNCs have great potential for application in biomedicine. • Binding of two affinity ligands can result in binding-induced DNA assemblies. • PET can be happened between DNA/AgNCs and G-quadruplex/hemin complexes. • A platform for the detection of proteins was proposed by using PET and binding-induced strategy.

  2. A thermochromic silver nanocluster exhibiting dual emission character

    Science.gov (United States)

    Xu, Qing-Qing; Dong, Xi-Yan; Huang, Ren-Wu; Li, Bo; Zang, Shuang-Quan; Mak, Thomas C. W.

    2015-01-01

    A Ag12(SCH2C10H7)6(CF3CO2)6(CH3CN)6 (1) nanocluster modified using naphthalen-2-yl-methanethiol was synthesized and structurally characterized by single crystal X-ray analysis. The targeted luminescent nanocluster displays dual emission with the property of reversible thermochromism spanning from red to bright yellow.A Ag12(SCH2C10H7)6(CF3CO2)6(CH3CN)6 (1) nanocluster modified using naphthalen-2-yl-methanethiol was synthesized and structurally characterized by single crystal X-ray analysis. The targeted luminescent nanocluster displays dual emission with the property of reversible thermochromism spanning from red to bright yellow. Electronic supplementary information (ESI) available: Experimental section and supporting Fig. S1-S6. CCDC 1004246. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4nr05122j

  3. AgI 焰剂成冰性能与物化特征的实验研究%Laboratory Study on Nucleating Properties and Microstructure of AgI Pyrotechnics

    Institute of Scientific and Technical Information of China (English)

    孔君; 王广河; 房文; 苏正军

    2016-01-01

    Two formulations (WMC-IN-001 and WMC-IN-002)of high efficient AgI pyrotechnics used in weather modification have been obtained after a number of screen tests were carried out in CAMS 1 m3 iso-thermal cloud chamber.The effectiveness can reach to 10 14 g-1 AgI at temperatures of -7℃ and colder for WMC-IN-001,and it can reach up to 10 15 g-1 AgI at -15℃.The foreign pyrotechnic was made according to the formulation of silver-spare (USSR).The ice nucleating properties of silver-spare and other five for-mulations of AgI pyrotechnics in the marketplace in 2011 was tested in the same chamber for comparison with the new pyrotechnics.The results show that the nucleating rates are very low for WMC-IN-001 and WMC-IN-002,and change less (in 40 -55 min)in the temperature range between -7 and -20℃.The aerosol particles produced by WMC-IN-001 are identified by environmental scanning electron microscope (ESEM)and energy disperse spectroscopy (EDS).The particle sizes are within 0.02-0.60 μm in diame-ter,and the mean cube-root diameter is 0.2472 μm.WMC-IN-001 aerosol has a pronounced bimodal size distribution with particles in the small diameter mode between 0.02 -0.10 μm and particles constituting the mode between 0.20-0.55 μm.The relatively large particle size may be one cause for the low nuclea-ting rates.%利用 CAMS 的1 m3等温云室系统筛选出新型高效 AgI 焰剂 WMC-IN-001和 WMC-IN-002。检测结果表明,它们具有较高的成核率,在-15℃时达到1015 g-1 AgI 量级,尤其在-7℃时 WMC-IN-001的成核率仍可达到1014 g-1 AgI 量级。同时给出对节银剂配方和2011年市场上主要的几种催化剂的检测结果进行对比。WMC-IN-001和 WMC-IN-002的成冰速率较慢,在各检测温度的成冰速率差异较小,均在40~55 min。利用冷场发射扫描电镜和能谱仪对 WMC-IN-001燃烧产生的气溶胶粒子作了物化特征分析,粒子分布在0.02~0.60μm,具有两个典型的模态:0.02

  4. Laboratory Study on Nucleating Properties and Microstructure of AgI Pyrotechnics%含 AgI 焰剂成冰性能与物化特征的实验研究

    Institute of Scientific and Technical Information of China (English)

    孔君; 王广河; 房文; 苏正军

    2016-01-01

    Two formulations (WMC-IN-001 and WMC-IN-002)of high efficient AgI pyrotechnics used in weather modification have been obtained after a number of screen tests were carried out in CAMS 1 m3 iso-thermal cloud chamber.The effectiveness can reach to 10 14 g-1 AgI at temperatures of -7℃ and colder for WMC-IN-001,and it can reach up to 10 15 g-1 AgI at -15℃.The foreign pyrotechnic was made according to the formulation of silver-spare (USSR).The ice nucleating properties of silver-spare and other five for-mulations of AgI pyrotechnics in the marketplace in 2011 was tested in the same chamber for comparison with the new pyrotechnics.The results show that the nucleating rates are very low for WMC-IN-001 and WMC-IN-002,and change less (in 40 -55 min)in the temperature range between -7 and -20℃.The aerosol particles produced by WMC-IN-001 are identified by environmental scanning electron microscope (ESEM)and energy disperse spectroscopy (EDS).The particle sizes are within 0.02-0.60 μm in diame-ter,and the mean cube-root diameter is 0.2472 μm.WMC-IN-001 aerosol has a pronounced bimodal size distribution with particles in the small diameter mode between 0.02 -0.10 μm and particles constituting the mode between 0.20-0.55 μm.The relatively large particle size may be one cause for the low nuclea-ting rates.%利用 CAMS 的1 m3等温云室系统筛选出新型高效 AgI 焰剂 WMC-IN-001和 WMC-IN-002。检测结果表明,它们具有较高的成核率,在-15℃时达到1015 g-1 AgI 量级,尤其在-7℃时 WMC-IN-001的成核率仍可达到1014 g-1 AgI 量级。同时给出对节银剂配方和2011年市场上主要的几种催化剂的检测结果进行对比。WMC-IN-001和 WMC-IN-002的成冰速率较慢,在各检测温度的成冰速率差异较小,均在40~55 min。利用冷场发射扫描电镜和能谱仪对 WMC-IN-001燃烧产生的气溶胶粒子作了物化特征分析,粒子分布在0.02~0.60μm,具有两个典型的模态:0.02

  5. Synthesis of bimetallic gold-silver alloy nanoclusters by simple mortar grinding.

    Science.gov (United States)

    Murugadoss, Arumugam; Kai, Noriko; Sakurai, Hidehiro

    2012-02-21

    A macroscale quantity of bimetallic Au-Ag alloy nanoclusters was achieved through sequential reduction by simple mortar grinding. The chitosan biopolymer was used as both a stabilizing and reducing agent. These nanoclusters exhibit excellent catalytic activity toward the reduction of 4-nitrophenol.

  6. Template free synthesis of natural carbohydrates functionalised fluorescent silver nanoclusters.

    Science.gov (United States)

    Ebrahiminezhad, Alireza; Berenjian, Aydin; Ghasemi, Younes

    2016-06-01

    Template-assisted synthesis is one of the most recognised techniques for fabrication of silver nanoclusters (AgNCs). However, this process is time consuming, toxic and expensive. In this study, the authors report a completely novel approach for the green and facile synthesis of AgNCs using Matricaria chamomilla, without any additional template. Fluorescent and colloidally stable AgNCs with average particle size of 2.4 nm were successfully produced. They found that carbohydrates from Matricaria chamomilla act as an ideal template to generate fluorescent AgNCs. Moreover, oxygen-bearing functional groups were validated to be the active groups for anchoring and reducing of Ag(+) ions. The novel carbohydrate coating method makes the prepared nanoclusters completely hydrophilic and stable in aqueous matrices. PMID:27256890

  7. Template free synthesis of natural carbohydrates functionalised fluorescent silver nanoclusters.

    Science.gov (United States)

    Ebrahiminezhad, Alireza; Berenjian, Aydin; Ghasemi, Younes

    2016-06-01

    Template-assisted synthesis is one of the most recognised techniques for fabrication of silver nanoclusters (AgNCs). However, this process is time consuming, toxic and expensive. In this study, the authors report a completely novel approach for the green and facile synthesis of AgNCs using Matricaria chamomilla, without any additional template. Fluorescent and colloidally stable AgNCs with average particle size of 2.4 nm were successfully produced. They found that carbohydrates from Matricaria chamomilla act as an ideal template to generate fluorescent AgNCs. Moreover, oxygen-bearing functional groups were validated to be the active groups for anchoring and reducing of Ag(+) ions. The novel carbohydrate coating method makes the prepared nanoclusters completely hydrophilic and stable in aqueous matrices.

  8. Numerical study of gas dynamic processes in conditions of silver nanocluster deposition experiments

    CERN Document Server

    Maltsev, Roman V

    2012-01-01

    In this paper, experiments on the deposition of silver nanoclusters are analysed numerically using improved DSMC method. These experiments were made in the Institute of Thermophysics SB RAS recent years, in the context of the development of bactericidal nanocomposite coatings deposition technology. In this paper we analyze the gas-dynamic effects in experimental conditions: the parameters of the gas stream from the silver vapor source, the flow of silver vapors inside the source and in the outflowing jet under different conditions, the movement of silver nanoclusters of different masses (up to 1024 atoms) in buffer gas, expecting different places of nanocluster formation in a source. The simulations revealed a strong nonisothermal state of the source, which was later confirmed experimentally, the site of nanocluster nulceus formation in a source (subcooled confuser of the nozzle) and, finally, show that the process of nucleation of nanoclusters inside a source is of heterogeneous nature. The width of the silv...

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

    International Nuclear Information System (INIS)

    The low temperature and flux dependent growth of ultrathin Ag films on the Si(111)7x7 surface is studied with Reflection High-Energy Electron Diffraction (RHEED). The grazing incidence geometry of RHEED allows for an incident molecular beam normal to the surface, and makes it an ideal surface probe for studying ultrathin film growth in real time. Short-lived oscillations in the diffracted intensity are observed during Ag deposition at 150 K, indicating quasi-layer-by-layer growth mediated by adatom mobility. When the 150 K growth is performed over a wide range of deposition rates F, the peak intensity is observed to scale, i.e. I(Ft) depends only on the total amount deposited, which implies thermally activated diffusion is absent at 150 K. Scaling is not obeyed at higher temperatures (T≥473 K) for the growth of the √3x√3 R30 degrees (√3) superstructure. Testing for scaling of the diffracted intensity constitutes a new experimental method which can be applied generally to determine if thermal diffusion is active at a particular temperature. Scaling is consistent with a constant diffusion length R0, independent of substrate temperature and deposition rate. The presence of a non-thermal diffusion mechanism (responsible for the constant diffusion length R0) is confirmed by monitoring the flux dependence of the √3 superstructure growth during deposition at T≥473 K. At these temperatures the total diffusion length R is given by R=R0+(4Dt)1/2, where (4Dt)1/2 is the thermal component. A non-zero intercept R0 is found by plotting the peak intensity Ip1/2 (a measure of the average domain size) vs. deposition rate F-1/2 (F-1 is proportional to the available diffusion time.) From the FWHM of a low coverage (0.2 ML) √3 spot, an estimation of 50 angstrom is made for a lower bound of the magnitude of R0

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

    Energy Technology Data Exchange (ETDEWEB)

    Roos, K.R.

    1993-07-01

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

  11. Nanoclusters and Microparticles in Gases and Vapors

    CERN Document Server

    Smirnov, Boris M

    2012-01-01

    Research of processes involving Nanoclusters and Microparticleshas been developing fastin many fields of rescent research, in particular in materials science. To stay at the cutting edge of this development, a sound understanding of the processes is needed. In this work, several processes involving small particles are described, such as transport processes in gases, charging of small particles in gases, chemical processes, atom attachment and quenching of excited atomic particles on surfaces, nucleation, coagulation, coalescence and growth processes for particles and aggregates. This work pres

  12. Triplex molecular beacons for sensitive recognition of melamine based on abasic-site-containing DNA and fluorescent silver nanoclusters.

    Science.gov (United States)

    Wang, Ya; Sun, Qianqian; Zhu, Linling; Zhang, Junying; Wang, Fengyang; Lu, Linlin; Yu, Haijun; Xu, Zhiai; Zhang, Wen

    2015-05-01

    A melamine aptamer derived from an abasic-site-containing triplex molecular beacon (tMB) was designed and developed for sensitive recognition of melamine by integrating tMBs and fluorescent silver nanoclusters (Ag NCs). PMID:25865656

  13. Synthesis and Doping of Ligand-Protected Atomically-Precise Metal Nanoclusters

    KAUST Repository

    Aljuhani, Maha A.

    2016-05-01

    Rapidly expanding research in nanotechnology has led to exciting progress in a versatile array of applications from medical diagnostics to catalysis. This success resulted from the manipulation of the desired properties of nanomaterials by controlling their size, shape, and composition. Among the most thriving areas of research about nanoparticle is the synthesis and doping of the ligand-protected atomically-precise metal nanoclusters. In this thesis, we developed three different novel metal nanoclusters, such as doped Ag29 with five gold (Au) atoms leading to enhance its quantum yield with remarkable stability. We also developed half-doped (alloyed) cluster of Ni6 nanocluster with molybdenum (Mo). This enabled enhanced stability and better catalytic activity. The third metal nanocluster that we synthesized was Au28 nanocluster by using di-thiolate as the ligand stabilizer instead of mono-thiolate. The new metal clusters obtained have been characterized by spectroscopic, electrochemical and crystallographic methods.

  14. Entanglement in Anderson Nanoclusters

    CERN Document Server

    Samuelsson, Peter

    2007-01-01

    We investigate the two-particle spin entanglement in magnetic nanoclusters described by the periodic Anderson model. An entanglement phase diagram is obtained, providing a novel perspective on a central property of magnetic nanoclusters, namely the temperature dependent competition between local Kondo screening and nonlocal Ruderman-Kittel-Kasuya-Yoshida spin ordering. We find that multiparticle entangled states are present for finite magnetic field as well as in the mixed valence regime and away from half filling. Our results emphasize the role of charge fluctuations.

  15. Luminescent composite polymer fibers: In situ synthesis of silver nanoclusters in electrospun polymer fibers and application

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Wenran, E-mail: gaoshang5566@126.com [State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, Jilin University, Changchun 130012 (China); Wang, Xumei, E-mail: wxmddp@163.com [Chinese National Petroleum Corporation Bohai Drilling Engineering Company Limited, Tianjin 300457 (China); Xu, Weiqing, E-mail: xuwq@jlu.edu.cn [State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, Jilin University, Changchun 130012 (China); Xu, Shuping, E-mail: xusp@jlu.edu.cn [State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, Jilin University, Changchun 130012 (China)

    2014-09-01

    The purpose of this study is to prepare multifunctional polymer fibers. We report a simple and controllable method for in situ synthesis of Ag nanoclusters (NCs) in electrospun polymer fibers via a photochemical reaction. The prepared composite polymer fibers emit pink luminescence and the luminescence property can be optimized by pH and Ag(I) precursor concentration. The as-prepared Ag NCs in electrospun polymer fibers were mainly Ag{sub 2–5} with a quantum yield of 6.81% and a lifetime of 2.29 ns. The in situ growth of Ag NCs avoids excessive surface modifications which may cause the aggregation of Ag NCs in many ex situ assembly methods. The combination of Ag NCs with polymer fibers greatly improves the stability of Ag NCs and broadens their applications. The storage of Ag NCs becomes facilitative due to the formation of bulky mat. Furthermore, these luminescence composite polymer fibers show strong antibacterial activity against Staphylococcus aureus (S. aureus). - Highlights: • Luminescent composite polymer nanofibers were fabricated. • Ag nanoclusters were in situ growth in the electrospun nanofiber membrane. • The prepared Ag nanoclusters have high chemical stability and antibacterial ability.

  16. Enhancing NIR emission of Yb{sup 3+} by silver nanoclusters in oxyfluoride glass

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Ronghua; Qian, Jiangyun; Cui, Shuo [State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Qiao, Xvsheng, E-mail: qiaoxus@zju.edu.cn [State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Wang, Feng [Department of Physics and Materials Science, City University of Hong Kong, 83 Tat Chee Avenue, Hong Kong SAR (China); City University of Hong Kong Shenzhen Research Institute, Shenzhen 518057 (China); Fan, Xianping [State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)

    2014-08-01

    Oxyfluoride glass comprising Yb{sup 3+} ions and Ag nanoclusters was prepared via a melt-quenching method. The molecule-like Ag clusters (ML-Ag) in the glass displayed broad absorption and emission bands in the ultraviolet (UV) and visible spectral regions, respectively. The luminescence quantum yield (QY) was determined to be higher than 90%. We observed energy transfer from ML-Ag nanoclusters to Yb{sup 3+} ions as evidenced by time resolved luminescence spectra, which resulted in a four-fold enhancement in NIR emission of Yb{sup 3+}. The luminescence enhancement effect described here would be applied to boost the efficiency of solar cells by converting high energy UV photons into NIR photons that better match the absorption of photovoltaic devices. - Highlights: • Molecule-like Ag nanoclusters were precipitated in the oxyfluoride glass hosts. • The glass had broadband white PL with quantum yield higher than 90%. • The Ag/Yb{sup 3+} codoped glass obtained 4-fold enhancement in NIR emission. • The PL enhancement was due to energy transfer from Ag nanoclusters to Yb{sup 3+}.

  17. Enhancing NIR emission of Yb3+ by silver nanoclusters in oxyfluoride glass

    International Nuclear Information System (INIS)

    Oxyfluoride glass comprising Yb3+ ions and Ag nanoclusters was prepared via a melt-quenching method. The molecule-like Ag clusters (ML-Ag) in the glass displayed broad absorption and emission bands in the ultraviolet (UV) and visible spectral regions, respectively. The luminescence quantum yield (QY) was determined to be higher than 90%. We observed energy transfer from ML-Ag nanoclusters to Yb3+ ions as evidenced by time resolved luminescence spectra, which resulted in a four-fold enhancement in NIR emission of Yb3+. The luminescence enhancement effect described here would be applied to boost the efficiency of solar cells by converting high energy UV photons into NIR photons that better match the absorption of photovoltaic devices. - Highlights: • Molecule-like Ag nanoclusters were precipitated in the oxyfluoride glass hosts. • The glass had broadband white PL with quantum yield higher than 90%. • The Ag/Yb3+ codoped glass obtained 4-fold enhancement in NIR emission. • The PL enhancement was due to energy transfer from Ag nanoclusters to Yb3+

  18. Ab Initio Calculations for the Surface Energy of Silver Nanoclusters

    Science.gov (United States)

    Medasani, Bharat; Vasiliev, Igor; Park, Young Ho

    2007-03-01

    We apply first principles computational methods to study the surface energy and the surface stress of silver nanoparticles. The structures, energies and lattice contractions of spherical Ag nanoclusters are calculated in the framework of density functional theory combined with the generalized gradient approximation. Our calculations predict the surface energies of Ag nanoclusters to be in the range of 1-2 J/m^2. These values are close to the bulk surface energy of silver, but are significantly lower than the recently reported value of 7.2 J/m^2 derived from the Kelvin equation for free Ag nanoparticles. From the lattice contraction and the nearest neighbor interatomic distance, we estimate the surface stress of the silver nanoclusters to be in the the range of 1-1.45 N/m. This result suggests that a liquid droplet model can be employed to evaluate the surface energy and the surface stress of Ag nanoparticles. K. K. Nanda et al., Phys. Rev. Lett. 91, 106102 (2003).

  19. Tunable surface plasmon resonance of silver nanoclusters in ion exchanged soda lime glass

    International Nuclear Information System (INIS)

    Highlights: • Ag-glass nanocomposites were synthesized by silver ion exchange and annealing. • SPR of Ag-glass nanocomposites was tuned from 420 to 596 nm by annealing in air. • Subsequent annealing of nanocomposites in Ar + H2 reversed back SPR to 398 nm. • Formation/dissolution of Ag2O nanoshells around Ag nanoclusters lead to tunable SPR. - Abstract: Silver (Ag) nanoclusters embedded in soda lime glass were synthesized by Ag ion exchange followed by thermal annealing. The effects of annealing temperature, time and atmosphere on the plasmonic response, structural and optical properties of silver-glass nanocomposites have been investigated using UV–visible absorption spectroscopy and X-ray photoelectron spectroscopy (XPS). As exchanged sample exhibits surface plasmon resonance (SPR) band around 420 nm which showed regular red shift with increase in annealing temperature. A significant red shift of 176 nm (from 420 to 596 nm) and broadening of the SPR peak was observed for annealing in air at 450 °C. XPS studies on air annealed samples confirmed the presence of Ag2O in addition to Ag. Subsequent annealing at 250 °C in reducing atmosphere resulted in increase in intensity, narrowing and blue shift of the SPR peak to 398 nm. Our observations suggest that SPR tunability is mainly due to the formation and dissolution of Ag2O nanoshells around Ag nanoclusters in the near-surface region of glass during annealing in oxidizing and reducing atmosphere, respectively

  20. Pressurized polyol synthesis of Al-doped ZnO nanoclusters with high electrical conductivity and low near-infrared transmittance

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Ho-Nyun; Shin, Chi-Ho [Surface Technology R& BD Group, Korea Institute of Industrial Technology (KITECH), Incheon 406-840 (Korea, Republic of); Hwang, Duck Kun [Department of Corporate Diagnosis, Small and Medium Business Corporation, Seoul 150-718 (Korea, Republic of); Kim, Haekyoung [School of Materials Science and Engineering, Yeungnam University, Gyeongsan 712-749 (Korea, Republic of); Oh, Kyeongseok [Department of Chemical and Environmental Technology, Inha Technical College, Incheon 402-752 (Korea, Republic of); Kim, Hyun-Jong, E-mail: hjkim23@kitech.re.kr [Surface Technology R& BD Group, Korea Institute of Industrial Technology (KITECH), Incheon 406-840 (Korea, Republic of)

    2015-09-25

    Highlights: • Low-temperature pressurized polyol method synthesized Al-doped ZnO nanoclusters. • Reaction time affected the doping efficiency, resistivity, and NIR transmittance. • The near-IR blocking efficiency of Al-doped ZnO (AZO) nanoclusters reached 85%. • AZO nanocluster coatings could be used for heat reflectors or artificial glasses. - Abstract: In this study, a novel pressurized polyol method is proposed to synthesize aluminum-doped ZnO (AZO) nanoclusters without utilizing additional thermal treatment to avoid the merging of nanoclusters. The size of the AZO nanoclusters range from 100 to 150 nm with a resistivity of 204 Ω cm. The AZO nanoclusters primarily consist of approximately 10-nm nanocrystals that form a spherically clustered morphology. A two-stage growth model has been proposed based on the results of scanning electron microscopy and transmission electron microscopy images, nanocluster sizes, and X-ray diffraction patterns. The primary AZO nanocrystals first nucleate under pressurized conditions and then spontaneously aggregate into larger nanoclusters. Optically, the AZO nanoclusters exhibit a significant decrease in the near-infrared (NIR) transmittance compared to pure ZnO nanoparticles. The NIR blocking efficiency of AZO nanoclusters reached 85%. Moreover, the doping efficiency, resistivity, and NIR transmittance of AZO nanoclusters are influenced by the reaction time in the pressurized polyol solution. On the other hand, the reaction time has no effect on the particle size and crystallinity. An optically transparent coating for the AZO nanoclusters, which consisted of iso-propanol solvent and ultraviolet-curable acrylic binder, was also demonstrated.

  1. Heterogeneous ice nucleation on silver-iodide-like surfaces

    OpenAIRE

    Fraux, Guillaume; Doye, Jonathan P. K.

    2014-01-01

    We attempt to simulate the heterogeneous nucleation of ice at model silver-iodide surfaces and find relatively facile ice nucleation and growth at the Ag+ termi nated basal face, but never see nucleation at the I- terminated basal face or the prism and normal faces. Water molecules strongly adsorb onto the Ag+ terminate d face to give a well-ordered hexagonal ice-like bilayer that then acts as a template for further ice growth.

  2. Nonclassical nucleation and growth of inorganic nanoparticles

    Science.gov (United States)

    Lee, Jisoo; Yang, Jiwoong; Kwon, Soon Gu; Hyeon, Taeghwan

    2016-08-01

    The synthesis of nanoparticles with particular compositions and structures can lead to nanoparticles with notable physicochemical properties, thus promoting their use in various applications. In this area of nanoscience, the focus is shifting from size- and shape-uniform single-component nanoparticles to multicomponent nanoparticles with enhanced performance and/or multifunctionality. With the increasing complexity of synthetic reactions, an understanding of the formation mechanisms of the nanoparticles is needed to enable a systematic synthetic approach. This Review highlights mechanistic studies underlying the synthesis of nanoparticles, with an emphasis on nucleation and growth behaviours that are not expected from classical theories. We discuss the structural properties of nanoclusters that are of a size that bridges molecules and solids. We then describe the role of nanoclusters in the prenucleation process as well as in nonclassical nucleation models. The growth of nanoparticles via the assembly and merging of primary particles is also overviewed. Finally, we present the heterogeneous nucleation mechanisms behind the synthesis of multicomponent nanoparticles.

  3. Fluorescence enhancement of DNA-silver nanoclusters from guanine proximity

    Energy Technology Data Exchange (ETDEWEB)

    Yeh, Hsin-chih [Los Alamos National Laboratory; Sharma, Jaswinder [Los Alamos National Laboratory; Yoo, Hyojong [Los Alamos National Laboratory; Martinez, Jennifer S [Los Alamos National Laboratory

    2010-01-01

    Oligonucleotide-templated, silver nanoclusters (DNA/Ag NCs) are a versatile set of fluorophores and have already been used for live cell imaging, detection of specific metal ions, and single-nucleotide variation identification. Compared to commonly used organic dyes, these fluorescent nanoclusters have much better photostability and are often a few times brighter. Owing to their small size, simple preparation, and biocompatibility (i.e. made of nontoxic metals), DNA/Ag NCs should find more applications in biological imaging and chemical detection in the years to come. While clearly promising as new fluorophores, DNA/Ag NCs possess a unique and poorly understood dynamic process not shared by organic dyes or photoluminescent nanocrystals - the conversion among different NC species due to silver oxidation/reduction or NC regrouping. While this environmental sensitivity can be viewed as a drawback, in the appropriate context, it can be used as a sensor or reporter. Often reversible, conversions among different NC species have been found to depend upon a number of factors, including time, temperature, oxygen and salt content. In this communication, we report significant fluorescence enhancement of DNA/Ag NCs via interactions with guanine-rich DNA sequences. Moreover, we demonstrated this property can be used for sensitive detection of specific target DNA from a human oncogene (i.e. Braf gene).

  4. Toward site-specific, homogeneous and highly stable fluorescent silver nanoclusters fabrication on triplex DNA scaffolds

    OpenAIRE

    Feng, Lingyan; Huang, Zhenzhen; Ren, Jinsong; Qu, Xiaogang

    2012-01-01

    A new strategy to create site-specific, homogeneous, and bright silver nanoclusters (AgNCs) with high-stability was demonstrated by triplex DNA as template. By reasonable design of DNA sequence, homogeneous Ag2 cluster was obtained in the predefined position of CG.C+ site of triplex DNA. This strategy was also explored for controlled alignment of AgNCs on the DNA nanoscaffold. To the best of our knowledge, this was the first example to simultaneously answer the challenges of excellent site-sp...

  5. Resonant Nucleation

    CERN Document Server

    Gleiser, M; Gleiser, Marcelo; Howell, Rafael

    2004-01-01

    We investigate the role played by fast quenching on the decay of metastable (or false vacuum) states. Instead of the exponentially-slow decay rate per unit volume, $\\Gamma_{\\rm HN} \\sim \\exp[-E_b/k_BT]$ ($E_b$ is the free energy of the critical bubble), predicted by Homogeneous Nucleation theory, we show that under fast enough quenching the decay rate is, in fact, a power law $\\Gamma_{\\rm RN} \\sim [E_b/k_BT]^{-B}$, where $B$ is weakly sensitive to the temperature. We argue that the fast quench generates large-amplitude fluctuations about the metastable state which promote its rapid decay via parametric resonance. Possible decay mechanisms and their dependence on $E_b$ are proposed and illustrated in a (2+1)-dimensional scalar field model with an asymmetric double-well potential.

  6. Equilibrium Gold Nanoclusters Quenched with Biodegradable Polymers

    OpenAIRE

    Murthy, Avinash K.; Stover, Robert J.; Borwankar, Ameya U.; Nie, Golay D.; Gourisankar, Sai; Truskett, Thomas M.; Konstantin V. Sokolov; Johnston, Keith P.

    2012-01-01

    Although sub-100 nm nanoclusters of metal nanoparticles are of interest in many fields including biomedical imaging, sensors and catalysis, it has been challenging to control their morphologies and chemical properties. Herein, a new concept is presented to assemble equilibrium Au nanoclusters of controlled size by tuning the colloidal interactions with a polymeric stabilizer, PLA(1k)-b-PEG(10k)-b-PLA(1k). The nanoclusters form upon mixing a dispersion of ~5 nm Au nanospheres with a polymer so...

  7. Fast magnetization reversal of nanoclusters in resonator

    OpenAIRE

    Yukalov, V. I.; Yukalova, E. P.

    2012-01-01

    An effective method for ultrafast magnetization reversal of nanoclusters is suggested. The method is based on coupling a nanocluster to a resonant electric circuit. This coupling causes the appearance of a magnetic feedback field acting on the cluster, which drastically shortens the magnetization reversal time. The influence of the resonator properties, nanocluster parameters, and external fields on the magnetization dynamics and reversal time is analyzed. The magnetization reversal time can ...

  8. DNA/RNA Detection Using DNA-Templated Few-Atom Silver Nanoclusters.

    Science.gov (United States)

    Obliosca, Judy M; Liu, Cong; Batson, Robert Austin; Babin, Mark C; Werner, James H; Yeh, Hsin-Chih

    2013-01-01

    DNA-templated few-atom silver nanoclusters (DNA/Ag NCs) are a new class of organic/inorganic composite nanomaterials whose fluorescence emission can be tuned throughout the visible and near-IR range by simply programming the template sequences. Compared to organic dyes, DNA/Ag NCs can be brighter and more photostable. Compared to quantum dots, DNA/Ag NCs are smaller, less prone to blinking on long timescales, and do not have a toxic core. The preparation of DNA/Ag NCs is simple and there is no need to remove excess precursors as these precursors are non-fluorescent. Our recent discovery of the fluorogenic and color switching properties of DNA/Ag NCs have led to the invention of new molecular probes, termed NanoCluster Beacons (NCBs), for DNA detection, with the capability to differentiate single-nucleotide polymorphisms by emission colors. NCBs are inexpensive, easy to prepare, and compatible with commercial DNA synthesizers. Many other groups have also explored and taken advantage of the environment sensitivities of DNA/Ag NCs in creating new tools for DNA/RNA detection and single-nucleotide polymorphism identification. In this review, we summarize the recent trends in the use of DNA/Ag NCs for developing DNA/RNA sensors. PMID:25586126

  9. DNA/RNA Detection Using DNA-Templated Few-Atom Silver Nanoclusters

    Directory of Open Access Journals (Sweden)

    Hsin-Chih Yeh

    2013-04-01

    Full Text Available DNA-templated few-atom silver nanoclusters (DNA/Ag NCs are a new class of organic/inorganic composite nanomaterials whose fluorescence emission can be tuned throughout the visible and near-IR range by simply programming the template sequences. Compared to organic dyes, DNA/Ag NCs can be brighter and more photostable. Compared to quantum dots, DNA/Ag NCs are smaller, less prone to blinking on long timescales, and do not have a toxic core. The preparation of DNA/Ag NCs is simple and there is no need to remove excess precursors as these precursors are non-fluorescent. Our recent discovery of the fluorogenic and color switching properties of DNA/Ag NCs have led to the invention of new molecular probes, termed NanoCluster Beacons (NCBs, for DNA detection, with the capability to differentiate single-nucleotide polymorphisms by emission colors. NCBs are inexpensive, easy to prepare, and compatible with commercial DNA synthesizers. Many other groups have also explored and taken advantage of the environment sensitivities of DNA/Ag NCs in creating new tools for DNA/RNA detection and single-nucleotide polymorphism identification. In this review, we summarize the recent trends in the use of DNA/Ag NCs for developing DNA/RNA sensors.

  10. A universal design for a DNA probe providing ratiometric fluorescence detection by generation of silver nanoclusters.

    Science.gov (United States)

    Del Bonis-O'Donnell, Jackson Travis; Vong, Daniel; Pennathur, Sumita; Fygenson, Deborah Kuchnir

    2016-08-14

    DNA-stabilized silver nanoclusters (AgNCs), the fluorescence emission of which can rival that of typical organic fluorophores, have made possible a new class of label-free molecular beacons for the detection of single-stranded DNA. Like fluorophore-quencher molecular beacons (FQ-MBs) AgNC-based molecular beacons (AgNC-MBs) are based on a single-stranded DNA that undergoes a conformational change upon binding a target sequence. The new conformation exposes a stretch of single-stranded DNA capable of hosting a fluorescent AgNC upon reduction in the presence of Ag(+) ions. The utility of AgNC-MBs has been limited, however, because changing the target binding sequence unpredictably alters cluster fluorescence. Here we show that the original AgNC-MB design depends on bases in the target-binding (loop) domain to stabilize its AgNC. We then rationally alter the design to overcome this limitation. By separating and lengthening the AgNC-stabilizing domain, we create an AgNC-hairpin probe with consistent performance for arbitrary target sequence. This new design supports ratiometric fluorescence measurements of DNA target concentration, thereby providing a more sensitive, responsive and stable signal compared to turn-on AgNC probes. Using the new design, we demonstrate AgNC-MBs with nanomolar sensitivity and singe-nucleotide specificity, expanding the breadth of applicability of these cost-effective probes for biomolecular detection. PMID:27406901

  11. Silver Nanoclusters: From Design Principles to Practical Applications

    KAUST Repository

    Abdulhalim, Lina G.

    2015-12-08

    A strategy based on reticulating metal ions and organic ligands into atomically precise gold and silver nanoclusters (NCs) with high monodispersity has been advanced to a point that allows the design of NCs with strict stoichiometries, functionalities and valence. Of the Ag NCs discovered, Ag44 is the most studied, not only due to its high absorption that transcends the visible spectrum suitable for photovoltaics but also because of its long excited state lifetime, as revealed by nanosecond transient absorption spectroscopy. A major principle discovered in this dissertation is the ability to produce Ag44 in scalable amounts and with high stability in addition to modulation of the functional groups of the organic ligands via a fast and complete ligand exchange process. This new discovery has led to the development of synthetic designs in which new sizes were obtained by varying the reaction parameters (e.g., ligands functionality, reaction temperature and time), namely, Ag29 using dithiols and phosphines. The synthesized NCs possess tetravalent functionalities that facilitate their crystallization and characterization. Furthermore, Ag29 glows red and is therefore a possible candidate for sensing and imaging applications.

  12. Switching a Nanocluster Core from Hollow to Non-hollow

    KAUST Repository

    Bootharaju, Megalamane Siddaramappa

    2016-03-24

    Modulating the structure-property relationship in atomically precise nanoclusters (NCs) is vital for developing novel NC materials and advancing their applications. While promising biphasic ligand-exchange (LE) strategies have been developed primarily to attain novel NCs, understanding the mechanistic aspects involved in tuning the core and the ligand-shell of NCs in such biphasic processes is challenging. Here, we design a single phase LE process that enabled us to elucidate the mechanism of how a hollow NC (e.g., [Ag44(SR)30]4-, -SR: thiolate) converts into a non-hollow NC (e.g., [Ag25(SR)18]-), and vice versa. Our study reveals that the complete LE of the hollow [Ag44(SPhF)30]4- NCs (–SPhF: 4-fluorobenzenethiolate) with incoming 2,4-dimethylbenzenethiol (HSPhMe2) induced distortions in the Ag44 structure forming the non-hollow [Ag25(SPhMe2)18]- by a disproportionation mechanism. While the reverse reaction of [Ag25(SPhMe2)18]- with HSPhF prompted an unusual dimerization of Ag25, followed by a rearrangement step that reproduces the original [Ag44(SPhF)30]4-. Remarkably, both the forward and the backward reactions proceed through similar size intermediates that seem to be governed by the boundary conditions set by the thermodynamic and electronic stability of the hollow and non-hollow metal cores. Furthermore, the resizing of NCs highlights the surprisingly long-range effect of the ligands which are felt by atoms far deep in the metal core, thus opening a new path for controlling the structural evolution of nanoparticles.

  13. Phosphorescent Nanocluster Light-Emitting Diodes.

    Science.gov (United States)

    Kuttipillai, Padmanaban S; Zhao, Yimu; Traverse, Christopher J; Staples, Richard J; Levine, Benjamin G; Lunt, Richard R

    2016-01-13

    Devices utilizing an entirely new class of earth abundant, inexpensive phosphorescent emitters based on metal-halide nanoclusters are reported. Light-emitting diodes with tunable performance are demonstrated by varying cation substitution to these nanoclusters. Theoretical calculations provide insight about the nature of the phosphorescent emitting states, which involves a strong pseudo-Jahn-Teller distortion.

  14. Atomistic Modeliing of the Interactions of He with Nanoclusters in Fe

    Energy Technology Data Exchange (ETDEWEB)

    Kurtz, Richard J.; Gao, Fei; Heinisch, Howard L.; Wirth, B. D.; Odette, George R.; Yamamoto, Takuya

    2006-06-29

    Structural materials of a fusion power system will be exposed to high concentrations of He produced from nuclear transmutation reactions. Helium is essentially insoluble in metals so there is a strong tendency for it to form bubbles that can significantly degrade mechanical properties. A strategy to effectively manage He is to provide a high-density of internal interfaces to serve as He bubble nucleation sites and vacancy-interstitial recombination centers. Nanostructured ferritic alloys are being developed to provide improved creep strength and He management capability compared to conventional steels. A key characteristic of these materials is the high-density (~1024 m-3) of nanometer-scale (~3 nm diameter) Y-Ti-O clusters. We describe molecular dynamics simulations to assess the interaction of He atoms, vacancies and He-vacancy complexes with coherent Cu nanoclusters in Fe. The potentials employed here were adjusted to explore the effect of nanocluster elastic properties on He trapping efficiency.

  15. The formation of Er-oxide nanoclusters in SiO$_2$ thin films with excess Si

    OpenAIRE

    Thøgersen, Annett; Mayandi, Jeyanthinath; Finstad, Terje; Olsen, Arne; Diplas, Spyros; Mitome, Masanori; Bando, Yoshio

    2012-01-01

    The nucleation, distribution and composition of erbium embedded in a SiO$_2$-Si layer were studied with High Resolution Transmission Electron Microscopy (HRTEM), Electron Energy Loss Spectroscopy (EELS), Energy Filtered TEM (EFTEM), Scanning Transmission Electron Microscopy (STEM) and X-ray Photoelectron Spectroscopy (XPS). When the SiO$_2$ layer contains small amounts of Si and Er, nanoclusters of Er-oxide are formed throughout the whole layer. Exposure of the oxide to an electron beam with ...

  16. Dynamics of homogeneous nucleation

    DEFF Research Database (Denmark)

    Toxværd, Søren

    2015-01-01

    clusters fluctuates, but the mean temperature remains below the temperature in the supersaturated gas until they reach the critical nucleation size. The critical nuclei have, however, a temperature equal to the supersaturated gas. The kinetics of homogeneous nucleation is not only caused by a grow or......The classical nucleation theory for homogeneous nucleation is formulated as a theory for a density fluctuation in a supersaturated gas at a given temperature. But molecular dynamics simulations reveal that it is small cold clusters which initiates the nucleation. The temperature in the nucleating...

  17. Nanoclusters a bridge across disciplines

    CERN Document Server

    Jena, Purusottam

    2010-01-01

    This comprehensive book on Nanoclusters comprises sixteen authoritative chapters written by leading researchers in the field. It provides insight into topics that are currently at the cutting edge of cluster science, with the main focus on metal and metal compound systems that are of particular interest in materials science, and also on aspects related to biology and medicine. While there are numerous books on clusters, the focus on clusters as a bridge across disciplines sets this book apart from others. Delivers cutting edge coverage of cluster science Covers a broad range of topics in

  18. Characterizing protein crystal nucleation

    Science.gov (United States)

    Akella, Sathish V.

    We developed an experimental microfluidic based technique to measure the nucleation rates and successfully applied the technique to measure nucleation rates of lysozyme crystals. The technique involves counting the number of samples which do not have crystals as a function of time. Under the assumption that nucleation is a Poisson process, the fraction of samples with no crystals decays exponentially with the decay constant proportional to nucleation rate and volume of the sample. Since nucleation is a random and rare event, one needs to perform measurements on large number of samples to obtain good statistics. Microfluidics offers the solution of producing large number of samples at minimal material consumption. Hence, we developed a microfluidic method and measured nucleation rates of lysozyme crystals in supersaturated protein drops, each with volume of ˜ 1 nL. Classical Nucleation Theory (CNT) describes the kinetics of nucleation and predicts the functional form of nucleation rate in terms of the thermodynamic quantities involved, such as supersaturation, temperature, etc. We analyzed the measured nucleation rates in the context of CNT and obtained the activation energy and the kinetic pre-factor characterizing the nucleation process. One conclusion is that heterogeneous nucleation dominates crystallization. We report preliminary studies on selective enhancement of nucleation in one of the crystal polymorprhs of lysozyme (spherulite) using amorphous mesoporous bioactive gel-glass te{naomi06, naomi08}, CaO.P 2O5.SiO2 (known as bio-glass) with 2-10 nm pore-size diameter distribution. The pores act as heterogeneous nucleation centers and claimed to enhance the nucleation rates by molecular confinement. The measured kinetic profiles of crystal fraction of spherulites indicate that the crystallization of spherulites may be proceeding via secondary nucleation pathways.

  19. A universal design for a DNA probe providing ratiometric fluorescence detection by generation of silver nanoclusters

    Science.gov (United States)

    Del Bonis-O'Donnell, Jackson Travis; Vong, Daniel; Pennathur, Sumita; Fygenson, Deborah Kuchnir

    2016-07-01

    DNA-stabilized silver nanoclusters (AgNCs), the fluorescence emission of which can rival that of typical organic fluorophores, have made possible a new class of label-free molecular beacons for the detection of single-stranded DNA. Like fluorophore-quencher molecular beacons (FQ-MBs) AgNC-based molecular beacons (AgNC-MBs) are based on a single-stranded DNA that undergoes a conformational change upon binding a target sequence. The new conformation exposes a stretch of single-stranded DNA capable of hosting a fluorescent AgNC upon reduction in the presence of Ag+ ions. The utility of AgNC-MBs has been limited, however, because changing the target binding sequence unpredictably alters cluster fluorescence. Here we show that the original AgNC-MB design depends on bases in the target-binding (loop) domain to stabilize its AgNC. We then rationally alter the design to overcome this limitation. By separating and lengthening the AgNC-stabilizing domain, we create an AgNC-hairpin probe with consistent performance for arbitrary target sequence. This new design supports ratiometric fluorescence measurements of DNA target concentration, thereby providing a more sensitive, responsive and stable signal compared to turn-on AgNC probes. Using the new design, we demonstrate AgNC-MBs with nanomolar sensitivity and singe-nucleotide specificity, expanding the breadth of applicability of these cost-effective probes for biomolecular detection.DNA-stabilized silver nanoclusters (AgNCs), the fluorescence emission of which can rival that of typical organic fluorophores, have made possible a new class of label-free molecular beacons for the detection of single-stranded DNA. Like fluorophore-quencher molecular beacons (FQ-MBs) AgNC-based molecular beacons (AgNC-MBs) are based on a single-stranded DNA that undergoes a conformational change upon binding a target sequence. The new conformation exposes a stretch of single-stranded DNA capable of hosting a fluorescent AgNC upon reduction in the

  20. Silver nanocluster catalytic microreactors for water purification

    Science.gov (United States)

    Da Silva, B.; Habibi, M.; Ognier, S.; Schelcher, G.; Mostafavi-Amjad, J.; Khalesifard, H. R. M.; Tatoulian, M.; Bonn, D.

    2016-07-01

    A new method for the elaboration of a novel type of catalytic microsystem with a high specific area catalyst is developed. A silver nanocluster catalytic microreactor was elaborated by doping a soda-lime glass with a silver salt. By applying a high power laser beam to the glass, silver nanoclusters are obtained at one of the surfaces which were characterized by BET measurements and AFM. A microfluidic chip was obtained by sealing the silver coated glass with a NOA 81 microchannel. The catalytic activity of the silver nanoclusters was then tested for the efficiency of water purification by using catalytic ozonation to oxidize an organic pollutant. The silver nanoclusters were found to be very stable in the microreactor and efficiently oxidized the pollutant, in spite of the very short residence times in the microchannel. This opens the way to study catalytic reactions in microchannels without the need of introducing the catalyst as a powder or manufacturing complex packed bed microreactors.

  1. G-quadruplex enhanced fluorescence of DNA-silver nanoclusters and their application in bioimaging

    Science.gov (United States)

    Zhu, Jinbo; Zhang, Libing; Teng, Ye; Lou, Baohua; Jia, Xiaofang; Gu, Xiaoxiao; Wang, Erkang

    2015-07-01

    Guanine proximity based fluorescence enhanced DNA-templated silver nanoclusters (AgNCs) have been reported and applied for bioanalysis. Herein, we studied the G-quadruplex enhanced fluorescence of DNA-AgNCs and gained several significant conclusions, which will be helpful for the design of future probes. Our results demonstrate that a G-quadruplex can also effectively stimulate the fluorescence potential of AgNCs. The major contribution of the G-quadruplex is to provide guanine bases, and its special structure has no measurable impact. The DNA-templated AgNCs were further analysed by native polyacrylamide gel electrophoresis and the guanine proximity enhancement mechanism could be visually verified by this method. Moreover, the fluorescence emission of C3A (CCCA)4 stabilized AgNCs was found to be easily and effectively enhanced by G-quadruplexes, such as T30695, AS1411 and TBA, especially AS1411. Benefiting from the high brightness of AS1411 enhanced DNA-AgNCs and the specific binding affinity of AS1411 for nucleolin, the AS1411 enhanced AgNCs can stain cancer cells for bioimaging.Guanine proximity based fluorescence enhanced DNA-templated silver nanoclusters (AgNCs) have been reported and applied for bioanalysis. Herein, we studied the G-quadruplex enhanced fluorescence of DNA-AgNCs and gained several significant conclusions, which will be helpful for the design of future probes. Our results demonstrate that a G-quadruplex can also effectively stimulate the fluorescence potential of AgNCs. The major contribution of the G-quadruplex is to provide guanine bases, and its special structure has no measurable impact. The DNA-templated AgNCs were further analysed by native polyacrylamide gel electrophoresis and the guanine proximity enhancement mechanism could be visually verified by this method. Moreover, the fluorescence emission of C3A (CCCA)4 stabilized AgNCs was found to be easily and effectively enhanced by G-quadruplexes, such as T30695, AS1411 and TBA, especially

  2. Equilibrium gold nanoclusters quenched with biodegradable polymers.

    Science.gov (United States)

    Murthy, Avinash K; Stover, Robert J; Borwankar, Ameya U; Nie, Golay D; Gourisankar, Sai; Truskett, Thomas M; Sokolov, Konstantin V; Johnston, Keith P

    2013-01-22

    Although sub-100 nm nanoclusters of metal nanoparticles are of interest in many fields including biomedical imaging, sensors, and catalysis, it has been challenging to control their morphologies and chemical properties. Herein, a new concept is presented to assemble equilibrium Au nanoclusters of controlled size by tuning the colloidal interactions with a polymeric stabilizer, PLA(1k)-b-PEG(10k)-b-PLA(1k). The nanoclusters form upon mixing a dispersion of ~5 nm Au nanospheres with a polymer solution followed by partial solvent evaporation. A weakly adsorbed polymer quenches the equilibrium nanocluster size and provides steric stabilization. Nanocluster size is tuned from ~20 to ~40 nm by experimentally varying the final Au nanoparticle concentration and the polymer/Au ratio, along with the charge on the initial Au nanoparticle surface. Upon biodegradation of the quencher, the nanoclusters reversibly and fully dissociate to individual ~5 nm primary particles. Equilibrium cluster size is predicted semiquantitatively with a free energy model that balances short-ranged depletion and van der Waals attractions with longer-ranged electrostatic repulsion, as a function of the Au and polymer concentrations. The close spacings of the Au nanoparticles in the clusters produce strong NIR extinction over a broad range of wavelengths from 650 to 900 nm, which is of practical interest in biomedical imaging. PMID:23230905

  3. A nanocluster beacon based on the template transformation of DNA-templated silver nanoclusters.

    Science.gov (United States)

    Teng, Ye; Jia, Xiaofang; Zhang, Shan; Zhu, Jinbo; Wang, Erkang

    2016-01-28

    In this work, we developed a novel light-up nanocluster beacon (NCB) based on shuttling dark silver nanoclusters (NCs) to a bright scaffold through hybridization. The fluorescence enhancement was as high as 70-fold when the two templates were on the opposite sides of the duplexes, enabling sensitive and selective detection of DNA. PMID:26666564

  4. A nanocluster beacon based on the template transformation of DNA-templated silver nanoclusters.

    Science.gov (United States)

    Teng, Ye; Jia, Xiaofang; Zhang, Shan; Zhu, Jinbo; Wang, Erkang

    2016-01-28

    In this work, we developed a novel light-up nanocluster beacon (NCB) based on shuttling dark silver nanoclusters (NCs) to a bright scaffold through hybridization. The fluorescence enhancement was as high as 70-fold when the two templates were on the opposite sides of the duplexes, enabling sensitive and selective detection of DNA.

  5. Engineering ultrasmall water-soluble gold and silver nanoclusters for biomedical applications.

    Science.gov (United States)

    Luo, Zhentao; Zheng, Kaiyuan; Xie, Jianping

    2014-05-25

    Gold and silver nanoclusters or Au/Ag NCs with core sizes smaller than 2 nm have been an attractive frontier of nanoparticle research because of their unique physicochemical properties such as well-defined molecular structure, discrete electronic transitions, quantized charging, and strong luminescence. As a result of these unique properties, ultrasmall size, and good biocompatibility, Au/Ag NCs have great potential for a variety of biomedical applications, such as bioimaging, biosensing, antimicrobial agents, and cancer therapy. In this feature article, we will first discuss some critical biological considerations, such as biocompatibility and renal clearance, of Au/Ag NCs that are applied for biomedical applications, leading to some design criteria for functional Au/Ag NCs in the biological settings. According to these biological considerations, we will then survey some efficient synthetic strategies for the preparation of protein- and peptide-protected Au/Ag NCs with an emphasis on our recent contributions in this fast-growing field. In the last part, we will highlight some potential biomedical applications of these protein- and peptide-protected Au/Ag NCs. It is believed that with continued efforts to understand the interactions of biomolecule-protected Au/Ag NCs with the biological systems, scientists can largely realize the great potential of Au/Ag NCs for biomedical applications, which could finally pave their way towards clinical use.

  6. Copper ion detection using novel silver nanoclusters stabilized with amido black 10B.

    Science.gov (United States)

    Ma, Fangfang; Liang, Sheng; Peng, Yibo; Kuang, Yangfang; Zhang, Xing; Chen, Shu; Long, Yunfei; Zeng, Rongjin

    2016-05-01

    Novel fluorescent silver nanoclusters (AgNCs) were synthesized using amido black 10B (AB) as a stabilizing agent and then employed for the detection of copper ions (Cu(2+)). The AB-stabilized AgNCs (AB-AgNCs) were well dispersed in aqueous solution with an average diameter of around 1.3 nm and exhibited illustrious blue fluorescence emission. Moreover, the fluorescence of AB-AgNCs could be quenched efficiently by Cu(2+), which might be a result of the coordination between Cu(2+) and the free recognition group of AB on surfaces of AB-AgNCs, inducing the aggregation of AB-AgNCs. Based on the linear decrease of fluorescence intensity, the Cu(2+) concentration was determined in the range of 0.01-1.1 μmol L(-1) and the limit of detection (LOD) was 4.0 nΜ. In addition, the detection of Cu(2+) could be performed with AB-AgNCs in the presence of other ions, including 13 kinds of conventional metal ions and 11 kinds of anions. Based on the above experiment, the developed AB-AgNC probe was successfully further applied to detect Cu(2+) in three electroplating effluents, which showed high accuracy. PMID:26873219

  7. Interface controlled growth of nanostructures in discontinuous Ag and Au thin films fabricated by ion beam sputter deposition for plasmonic applications

    Indian Academy of Sciences (India)

    R Brahma; M Ghanashyam Krishna

    2012-08-01

    The growth of discontinuous thin films of Ag and Au by low energy ion beam sputter deposition is reported. The study focuses on the role of the film–substrate in determining the shape and size of nanostructures achieved in such films. Ag films were deposited using Ar ion energy of 150 eV while the Au films were deposited with Ar ion energies of 250–450 eV. Three types of interfaces were investigated in this study. The first set of film–substrate interfaces consisted of Ag and Au films grown on borosilicate glass and carbon coated Cu grids used as substrates. The second set of films was metallic bilayers in which one of the metals (Ag or Au) was grown on a continuous film of the other metal (Au or Ag). The third set of interfaces comprised of discontinuous Ag and Au films deposited on different dielectrics such as SiO2, TiO2 and ZrO2. In each case, a rich variety of nanostructures including self organized arrays of nanoparticles, nanoclusters and nanoneedles have been achieved. The role of the film–substrate interface is discussed within the framework of existing theories of thin film nucleation and growth. Interfacial nanostructuring of thin films is demonstrated to be a viable technique to realize a variety of nanostructures. The use of interfacial nanostructuring for plasmonic applications is demonstrated. It is shown that the surface Plasmon resonance of the metal nanostructures can be tuned over a wide range of wavelengths from 400 to 700 nm by controlling the film–substrate interface.

  8. Effect of strain on surface diffusion and nucleation

    DEFF Research Database (Denmark)

    Brune, Harald; Bromann, Karsten; Röder, Holger;

    1995-01-01

    The influence of strain on diffusion and nucleation has been studied by means of scanning tunneling microscopy and effective-medium theory for Ag self-diffusion on strained and unstrained (111) surfaces. Experimentally, the diffusion barrier is observed to be substantially lower on a pseudomorphic...... Ag monolayer on Pt(111), 60 meV, compared to that on Ag(111), 97 meV. The calculations show that this strong effect is due to the 4.2% compressive strain of the Ag monolayer on Pt. It is shown that in general isotropic two-dimensional strain as well as its relief via dislocations have a drastic...

  9. Principles of nucleation theory

    International Nuclear Information System (INIS)

    The nucleation of small stable species is described in the problem of void growth by discrete rate equations. When gas is being produced the problem reduces to one of calculating the incubation dose for the gas bubble to void transition. A general expression for the steady state nucleation rate is derived for the case when voids are formed by vacancy fluctuations which enable an effective nucleation barrier to be crossed. (author)

  10. Highly fluorescent silver nanoclusters in alumina-silica composite optical fiber

    Energy Technology Data Exchange (ETDEWEB)

    Halder, A.; Chattopadhyay, R.; Majumder, S.; Paul, M. C.; Das, S.; Bhadra, S. K., E-mail: skbhadra@cgcri.res.in [Fiber Optics and Photonics Division, CSIR-Central Glass and Ceramic Research Institute, 196, Raja S. C. Mullick Road, Kolkata 700032 (India); Bysakh, S.; Unnikrishnan, M. [Material Characterization Division, CSIR-Central Glass and Ceramic Research Institute, 196, Raja S. C. Mullick Road, Kolkata 700032 (India)

    2015-01-05

    An efficient visible fluorescent optical fiber embedded with silver nanoclusters (Ag-NCs) having size ∼1 nm, uniformly distributed in alumina-silica composite core glass, is reported. Fibers are fabricated in a repetitive controlled way through modified chemical vapour deposition process associated with solution doping technique. Fibers are drawn from the transparent preforms by conventional fiber drawing process. Structural characteristics of the doped fibers are studied using transmission electron microscopy and electron probe micro analysis. The oxidation state of Ag within Ag-NCs is investigated by X-ray photo electron spectroscopy. The observed significant fluorescence of the metal clusters in fabricated fibers is correlated with electronic model. The experimentally observed size dependent absorption of the metal clusters in fabricated fibers is explained with the help of reported results calculated by ab-initio density functional theory. These optical fibers may open up an opportunity of realizing tunable wavelength fiber laser without the help of rare earth elements.

  11. Highly fluorescent silver nanoclusters in alumina-silica composite optical fiber

    International Nuclear Information System (INIS)

    An efficient visible fluorescent optical fiber embedded with silver nanoclusters (Ag-NCs) having size ∼1 nm, uniformly distributed in alumina-silica composite core glass, is reported. Fibers are fabricated in a repetitive controlled way through modified chemical vapour deposition process associated with solution doping technique. Fibers are drawn from the transparent preforms by conventional fiber drawing process. Structural characteristics of the doped fibers are studied using transmission electron microscopy and electron probe micro analysis. The oxidation state of Ag within Ag-NCs is investigated by X-ray photo electron spectroscopy. The observed significant fluorescence of the metal clusters in fabricated fibers is correlated with electronic model. The experimentally observed size dependent absorption of the metal clusters in fabricated fibers is explained with the help of reported results calculated by ab-initio density functional theory. These optical fibers may open up an opportunity of realizing tunable wavelength fiber laser without the help of rare earth elements

  12. Reversible Size Control of Silver Nanoclusters via Ligand-exchange

    KAUST Repository

    Bootharaju, Megalamane Siddaramappa

    2015-05-21

    The properties of atomically monodisperse noble metal nanoclusters (NCs) are intricately intertwined with their precise molecular formula. The vast majority of size-specific NC syntheses start from the reduction of the metal salt and thiol ligand mixture. Only in gold was it recently shown that ligand-exchange could induce the growth of NCs from one atomically precise species to another; a process of yet unknown reversibility. Here, we present a process for the ligand-exchange-induced growth of atomically precise silver NCs, in a biphasic liquid-liquid system, which is particularly of interest because of its complete reversibility and ability to occur at room temperature. We explore this phenomenon in-depth using Ag35(SG)18 [SG= glutathionate] and Ag44(4-FTP)30 [4-FTP= 4-fluorothiophenol] as model systems. We show that the ligand-exchange conversion of Ag35(SG)18 into Ag44(4-FTP)30 is rapid (< 5 min) and direct, while the reverse process proceeds slowly through intermediate cluster sizes. We adapt a recently developed theory of reverse Ostwald ripening to model the NCs’ interconvertibility. The model’s predictions are in good agreement with the experimental observations, and they highlight the importance of small changes in the ligand-metal binding energy in determining the final equilibrium NC size. Based on the insight provided by this model, we demonstrated experimentally that by varying the choice of ligands, ligand-exchange can be used to obtain different sized NCs. The findings in this work establish ligand-exchange as a versatile tool for tuning cluster sizes.

  13. Surface-Induced Melting of Metal Nanoclusters

    Institute of Scientific and Technical Information of China (English)

    YANG Quan-Wen; ZHU Ru-Zeng; WEI Jiu-An; WEN Yu-Hua

    2004-01-01

    @@ We investigate the size effect on melting of metal nanoclusters by molecular dynamics simulation and thermodynamic theory based on Kofman's melt model. By the minimization of the free energy of metal nanoclusters with respect to the thickness of the surface liquid layer, it has been found that the nanoclusters of the same metal have the same premelting temperature Tpre = T0 - T0(γsv -γlv -γst)/(ρLξ) (T0 is the melting point of bulk metal, γsv the solid-vapour interfacial free energy, γlv the liquid-vapour interfacial free energy, γsl the solid-liquid interfacial free energy, ρ the density of metal, L the latent heat of bulk metal, and ξ the characteristic length of surface-interface interaction) to be independent of the size of nanoclusters, so that the characteristic length ξ ofa metal can be obtained easily by Tpre, which can be obtained by experiments or molecular dynamics (MD) simulations. The premelting temperature Tpre of Cu is obtained by MD simulations, then ξ is obtained.The melting point Tcm is further predicted by free energy analysis and is in good agreement with the result of our MD simulations. We also predict the maximum premelting-liquid width of Cu nanoclusters with various sizes and the critical size, below which there is no premelting.

  14. The adsorption theory of heterogeneous nucleation and its application to ice nucleation

    Science.gov (United States)

    Laaksonen, A.; Malila, J.

    2015-12-01

    In the classical picture of heterogeneous nucleation, spherical liquid caps, characterized by a contact angle, appear on a surface at supersaturated conditions, and if these caps are larger than so called critical size, they grow spontaneously, whereas smaller caps will evaporate. In reality, vapor adsorption takes place already at subsaturated conditions, and depending on the substrate-vapor interactions, the adsorbed layer may consist of clusters centered on so called active sites. The extent of adsorption can be calculated using adsorption isotherms which give the average adsorption layer thickness as a function of vapor saturation ratio, provided that adsorption constants (characterizing the substrate-vapor interactions) are known. We recently proposed a new theory (Laaksonen, J. Phys. Chem. A., 2015) that combines adsorption and heterogeneous nucleation so that it can be used to calculate both the adsorption layer thickness at subsaturated conditions, as well as the onset supersaturation for nucleation. We showed that the new theory performs much better than the classical theory both with flat surfaces, and in the case of water vapor nucleating on SiO2, TiO2, and Ag2O nanoparticles (Laaksonen and Malila, ACPD, in press). Here, we review the new theory, and compare its predictive capability to that of the classical heterogeneous nucleation theory. We furthermore discuss the potential use of the new theory for calculation of condensation and deposition mode ice nucleation in the atmosphere.

  15. Embedded of neodymium oxide nanoclusters in silica

    Science.gov (United States)

    Duhan, S.; Aghamkar, P.; Singh, M.; Kishore, N.

    2007-06-01

    The solgel process successfully prepared Nd IIO 3 / SiO II nanocomposites. After drying in air at 85°C for three days, samples were heat treated, in air, at 750, 950, 1150 and 1250°C. Characterizations were made by, Infrared spectroscopy, X-ray diffraction, and scanning electron microscopy. Mechanisms of neodymium oxide nano clusters formation in the densified silica matrix with respect to thermal treatment are discussed. XRD profiles confirm the crystallinity of the nanoclusters. The size of the nanoclusters was found in the range 15-30nm.

  16. Fluorescent DNA Stabilized Silver Nanoclusters as Biosensors

    Directory of Open Access Journals (Sweden)

    Alfonso Latorre

    2013-01-01

    Full Text Available DNA stabilized fluorescent silver nanoclusters are promising materials, of which fluorescent properties can be exploited to develop sensors. Particularly, the presence of a DNA strand in the structure has promoted the development of gene sensors where one part of the sensor is able to recognize the target gene sequence. Moreover, since oligonucleotides can be designed to have binding properties (aptamers a variety of sensors for proteins and cells have been developed using silver nanoclusters. In this review the applications of this material as sensors of different biomolecules are summarized.

  17. Chirality in Bare and Passivated Gold Nanoclusters

    CERN Document Server

    Garzon, I L; Rodrigues-Hernandez, J I; Sigal, I; Beltran, M R; Michaelian, K

    2002-01-01

    Chiral structures have been found as the lowest-energy isomers of bare (Au$_{28}$ and Au$_{55}) and thiol-passivated (Au$_{28}(SCH$_{3})$_{16}$ and Au$_{38}$(SCH$_{3}$)$_{24}) gold nanoclusters. The degree of chirality existing in the chiral clusters was calculated using the Hausdorff chirality measure. We found that the index of chirality is higher in the passivated clusters and decreases with the cluster size. These results are consistent with the observed chiroptical activity recently reported for glutahione-passivated gold nanoclusters, and provide theoretical support for the existence of chirality in these novel compounds.

  18. Nonequilibrium thermodynamics of nucleation

    International Nuclear Information System (INIS)

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects

  19. Nonequilibrium thermodynamics of nucleation.

    Science.gov (United States)

    Schweizer, M; Sagis, L M C

    2014-12-14

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects. PMID:25494727

  20. Non-covalent attachment of silver nanoclusters onto single-walled carbon nanotubes with human serum albumin as linking molecule

    Energy Technology Data Exchange (ETDEWEB)

    Rodríguez-Galván, Andrés, E-mail: andres.rodriguez@nucleares.unam.mx [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior C.U., 04510 México D.F. (Mexico); Instituto de Física, Dpto. Física Experimental, Universidad Nacional Autónoma de México, Coyoacán, México, DF 04510 (Mexico); Unidad de Investigación Biomédica en Cáncer INCan-UNAM, Instituto Nacional de Cancerología, México, DF 14080 (Mexico); Heredia, Alejandro [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior C.U., 04510 México D.F. (Mexico); Amelines-Sarria, Oscar; Rivera, Margarita [Instituto de Física, Dpto. Materia Condensada, Universidad Nacional Autónoma de México, Coyoacán, 04510 México D.F. (Mexico); and others

    2015-03-15

    The attachment of silver nanoclusters (AgNCs) onto single-walled carbon nanotubes (SWNTs) for the formation of integrated fluorescence sites has attracted much attention due their potential applications as biological probes and nanovectors in theragnosis. Here, we report the preparation through assembly of fluorescent quasi 1-D nanomaterial based on SWNTs and silver nanoclusters (AgNCs) non-covalently attached to human serum albumin as biological linker. The fluorescent SWNT–AgNCs–HSA conjugates were characterized by atomic force microscopy, high-resolution transmission electron microscopy (HRTEM), high angle annular dark field scanning TEM (HAADF-STEM), fluorescent and UV–vis spectroscopy. The above techniques confirmed that AgNCs were non-covalently attached onto the external surface of SWNTs. In addition, it was observed that the modification did not affect the optical properties of the synthesized AgNCs since the absorption spectra and fluorescence under UV irradiation (λ = 365 nm) remain the same. The effect of the functionalized systems was tested on mammal red blood cells (RBCs) and it was found that their structural integrity was compromised by the conjugates, limiting their biological and medical applications.

  1. Non-covalent attachment of silver nanoclusters onto single-walled carbon nanotubes with human serum albumin as linking molecule

    International Nuclear Information System (INIS)

    The attachment of silver nanoclusters (AgNCs) onto single-walled carbon nanotubes (SWNTs) for the formation of integrated fluorescence sites has attracted much attention due their potential applications as biological probes and nanovectors in theragnosis. Here, we report the preparation through assembly of fluorescent quasi 1-D nanomaterial based on SWNTs and silver nanoclusters (AgNCs) non-covalently attached to human serum albumin as biological linker. The fluorescent SWNT–AgNCs–HSA conjugates were characterized by atomic force microscopy, high-resolution transmission electron microscopy (HRTEM), high angle annular dark field scanning TEM (HAADF-STEM), fluorescent and UV–vis spectroscopy. The above techniques confirmed that AgNCs were non-covalently attached onto the external surface of SWNTs. In addition, it was observed that the modification did not affect the optical properties of the synthesized AgNCs since the absorption spectra and fluorescence under UV irradiation (λ = 365 nm) remain the same. The effect of the functionalized systems was tested on mammal red blood cells (RBCs) and it was found that their structural integrity was compromised by the conjugates, limiting their biological and medical applications

  2. Ice nucleation terminology

    Directory of Open Access Journals (Sweden)

    G. Vali

    2014-08-01

    Full Text Available Progress in the understanding of ice nucleation is being hampered by the lack of uniformity in how some terms are used in the literature. This even extends to some ambiguity of meanings attached to some terms. Suggestions are put forward here for common use of terms. Some are already well established and clear of ambiguities. Others are less engrained and will need a conscious effort in adoption. Evolution in the range of systems where ice nucleation is being studied enhances the need for a clear nomenclature. The ultimate limit in the clarity of definitions is, of course, the limited degree to which ice nucleation processes are understood.

  3. Novel method for Ag colloidal cluster formation by laser ablation at the air-liquid interface

    Science.gov (United States)

    Nishi, Teppei; Akimoto, Yusuke; Takahashi, Naoko; Kitazumi, Kosuke; Kajiya, Shuji; Watanabe, Yoshihide

    2015-09-01

    We report a novel method for formation of sub-nanoclusters by laser ablation at the air-liquid interface. The density of plasma induced by laser ablation at the air-liquid interface should be lower than that produced by laser ablation in liquid. In the lower density plasma, the produced clusters rarely grow or aggregate into larger clusters because the collision probability is low, resulting in the formation of small clusters. Ag sub-nanoclusters were observed by electrospray ionization mass spectrometry (ESI-MS) and X-ray photoelectron spectroscopy (XPS). These results show that low-density plasma can be applied to small-cluster formation and that laser ablation at the air-liquid interface produces a good reactive field for the formation of sub-nanoclusters. Our results highlight the importance of low-density plasma induced at the air-liquid interface for sub-nanocluster formation.

  4. Magnetic force microscopy on cobalt nanocluster films

    NARCIS (Netherlands)

    Koch, SA; Velde, RHT; Palasantzas, G; De Hosson, JTM

    2004-01-01

    Magnetic force microscopy (MFM) has been employed to image the magnetic stray field from cobalt nanocluster films. The uniformly sized clusters with a diameter about 10 nm were deposited at low energy with a gas aggregation source. Both isolated particles supported on silicon, and cluster-assembled

  5. Vapor Condensed and Supercooled Glassy Nanoclusters.

    Science.gov (United States)

    Qi, Weikai; Bowles, Richard K

    2016-03-22

    We use molecular simulation to study the structural and dynamic properties of glassy nanoclusters formed both through the direct condensation of the vapor below the glass transition temperature, without the presence of a substrate, and via the slow supercooling of unsupported liquid nanodroplets. An analysis of local structure using Voronoi polyhedra shows that the energetic stability of the clusters is characterized by a large, increasing fraction of bicapped square antiprism motifs. We also show that nanoclusters with similar inherent structure energies are structurally similar, independent of their history, which suggests the supercooled clusters access the same low energy regions of the potential energy landscape as the vapor condensed clusters despite their different methods of formation. By measuring the intermediate scattering function at different radii from the cluster center, we find that the relaxation dynamics of the clusters are inhomogeneous, with the core becoming glassy above the glass transition temperature while the surface remains mobile at low temperatures. This helps the clusters sample the highly stable, low energy structures on the potential energy surface. Our work suggests the nanocluster systems are structurally more stable than the ultrastable glassy thin films, formed through vapor deposition onto a cold substrate, but the nanoclusters do not exhibit the superheating effects characteristic of the ultrastable glass states. PMID:26866858

  6. Nucleation of Gold in the Electric Field on the Surface of Template

    Directory of Open Access Journals (Sweden)

    M.Yu. Barabash

    2014-04-01

    Full Text Available The comparative study of gold nanoclusters phase formation processes in the matrix of poly-N-vinil-carbazole ( PVCa at co-condensation from the gas phase in local electric field near the surface of the template and on the surface of neutral substrates is investigated. TEM studies have directly observed the golden critical nuclei in the PVCa matrix and determine their size. Experimentally proved that the size of the gold critical nuclei is 1.9 nm, whereas in the non-uniform electric field of the template is reduced it to 1.2 nm. Modelling the influence of polarization component on Au nucleation within the thermodynamic approach to electrically charged and neutral gold nanoclusters showed the possibility of the existence of the measured changes in the critical nucleus size in the field 108-1010 V/m.

  7. Gold Doping of Silver Nanoclusters: A 26-Fold Enhancement in the Luminescence Quantum Yield.

    Science.gov (United States)

    Soldan, Giada; Aljuhani, Maha A; Bootharaju, Megalamane S; AbdulHalim, Lina G; Parida, Manas R; Emwas, Abdul-Hamid; Mohammed, Omar F; Bakr, Osman M

    2016-05-01

    A high quantum yield (QY) of photoluminescence (PL) in nanomaterials is necessary for a wide range of applications. Unfortunately, the weak PL and moderate stability of atomically precise silver nanoclusters (NCs) suppress their utility. Herein, we accomplished a ≥26-fold PL QY enhancement of the Ag29 (BDT)12 (TPP)4 cluster (BDT: 1,3-benzenedithiol; TPP: triphenylphosphine) by doping with a discrete number of Au atoms, producing Ag29-x Aux (BDT)12 (TPP)4 , x=1-5. The Au-doped clusters exhibit an enhanced stability and an intense red emission around 660 nm. Single-crystal XRD, mass spectrometry, optical, and NMR spectroscopy shed light on the PL enhancement mechanism and the probable locations of the Au dopants within the cluster. PMID:27060602

  8. Kinetics of Ag-rich precipitates formation in Cu-Al-Ag alloys

    Energy Technology Data Exchange (ETDEWEB)

    Adorno, A.T.; Guerreiro, M.R.; Silva, R.A.G

    2004-06-15

    The kinetics of Ag-rich precipitates formation in the Cu-2 wt.% Al alloy with additions of 2, 4, 6, 8, 10 and 12 wt.% Ag was studied using microhardness changes with temperature and time, differential scanning calorimetry (DSC), differential thermal analysis (DTA), scanning electron microscopy (SEM), optical microscopy (OM), energy dispersive X-ray analysis (EDX) and X-ray diffractometry (XRD). The results indicated that an increase in the Ag content decreases the activation energy for Ag-rich precipitates formation, and that it is possible to estimate the values of the diffusion and nucleation activation energies for the Ag precipitates.

  9. Nonperturbative effects on nucleation

    CERN Document Server

    Gleiser, Marcello; Gleiser, Marcelo; Heckler, Andrew F

    1996-01-01

    A nonperturbative correction to the thermal nucleation rate of critical bubbles in a first order phase transition is estimated. The correction originates from large-amplitude fluctuations which may be present before the transition occurs. Using a simple model of a scalar field in a double-well potential, we present a method to obtain a corrected potential which incorporates the free-energy density available from large-amplitude fluctuations, which is not included in the usual perturbative calculation. For weaker phase transitions, the nucleation rate can be much larger than the rate calculated via perturbation theory. As an application of our method, we show how nonperturbative corrections can both qualitatively and quantitatively explain anomalously high nucleation rates observed in 2-d numerical simulations.

  10. Application of ionizing radiation for metal nanoclusters synthesis

    International Nuclear Information System (INIS)

    Complete text of publication follows. Possibility of ionizing radiation application in nanotechnology has been observed from very beginning when this field of science and technology was named. The lithography is based on electron and ion beam applications, and metal clusters synthesis by radiation induced radicals was reported many years ago. International Atomic Energy Agency was the first organization which has started coordinated programs on radiation applications in nanotechnology which are being continued in the frame of regional cooperation project RER8014. Some of applications led to patented technical solutions. Then review papers and chapters in the books have been published. The main applications beside of lithography deal with metal nanoclusters and nano-composites synthesis. Polymer composites containing metal nanoparticles have attracted a great interest due to their unique chemical and physical properties. 'Green' chemistry promotes application of natural fibers in such structures, among them cellulose is one of the most frequently used. However, cellulose fabric have ability to absorb moisture, so under certain conditions of humidity and temperature they can be subjected to microbial attack. One of the most popular and best known antibacterial agents is silver, which serves as a potential antibacterial material acting against an exceptionally broad spectrum of bacteria including activity against antibiotic-resistant bacteria. Silver nanoparticles (Ag NPs) were grown at the cellulose fibers surface by direct reduction of AgNO3 with electron beam (EB) application. The big field of development concerns nano composites, possibility of e/X units application enlarge this possibility to industrial scale product manufacturing. Acknowledgement: This work was supported by the IAEA, regional project RER/8/014 and by the Ministry of Science and Higher Education, project DPN/W14/IAEA/2009.

  11. Surface modification of gold nanoparticles and nanoclusters

    OpenAIRE

    Sokolowska, Karolina

    2016-01-01

    Gold nanoparticles are used in many beneficial technological applications in biochemistry, medicine and electronics. Among them, monolayer protected gold nanoclusters (MPCs) have received a significant attention in the scientific community due to their well-defined atomic structure, which is important for fundamental studies of nanoparticles properties and their functionalization. These particles, with a precise number of atoms, exhibit size-dependent optical, chemical and electronic properti...

  12. RF heating of nanoclusters for cancer therapy

    Science.gov (United States)

    Letfullin, Renat R.; Letfullin, Alla R.; George, Thomas F.

    2015-03-01

    Nanodrugs selectively delivered to a tumor site can be activated by radiation for drug release, or nanoparticles (NPs) can be used as a drug themselves by producing biological damage in cancer cells through thermal, mechanical ablations or charged particle emission. Radio-frequency (RF) waves have an excellent ability to penetrate into the human body without causing healthy tissue damage, which provides a great opportunity to activate/heat NPs delivered inside the body as a contrast agent for diagnosis and treatment purposes. However the heating of NPs in the RF range of the spectrum is controversial in the research community because of the low power load of RF waves and low absorption of NPs in the RF range. To resolve these weaknesses in the RF activation of NPs and dramatically increase absorption of contrast agents in tumor, we suggest aggregating the nanoclusters inside or on the surface of the cancer cells. We simulate space distribution of temperature changes inside and outside metal and dielectric nanopraticles/nanoclusters, determine the number of nanoparticles needed to form a cluster, and estimate the thermal damage area produced in surrounding medium by nanopraticles/nanoclusters heated in the RF field.

  13. THERMODYNAMIC STUDY OF NUCLEATION PROPERTY OF NUCLEATING AGENT

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    It is deduced from thermodynamic relations and confirm ed by experiment results that the nucleation rate and nucleation temperature o f nucleating agents in the glass are dependent upon their melting entropy ΔSm melting temperature Tm and crystal-type transition in terms of some mathemati cal expressions.

  14. Nonequilibrium thermodynamics of nucleation

    NARCIS (Netherlands)

    Schweizer, M.; Sagis, L.M.C.

    2014-01-01

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a met

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

    International Nuclear Information System (INIS)

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

  16. Synthesis and characterization of mixed ligand chiral nanoclusters

    OpenAIRE

    Güven, Zekiye Pelin; Guven, Zekiye Pelin; Üstbaş, Burçin; Ustbas, Burcin; Harkness, Kellen M.; Coşkun, Hikmet; Coskun, Hikmet; Joshi, Chakra P.; Besong, Tabot M. D.; Stellacci, Francesco; Bakr, Osman M.; Akbulut, Özge; Akbulut, Ozge

    2015-01-01

    Chiral mixed ligand silver nanoclusters were synthesized in the presence of a chiral and an achiral ligand. The ratio of the ligands was changed to track the formation of these clusters. While the chiral ligand lead to nanoparticles, Presence of the achiral ligand induced the formation of nanoclusters with chiral properties.

  17. Passivation of cobalt nanocluster assembled thin films with hydrogen

    DEFF Research Database (Denmark)

    Romero, C.P.; Volodin, A.; Di Vece, M.;

    2012-01-01

    The effect of hydrogen passivation on bare and Pd capped cobalt nanocluster assembled thin films was studied with Rutherford backscattering spectrometry (RBS) and magnetic force microscopy (MFM) after exposure to ambient conditions. The nanoclusters are produced in a laser vaporization cluster...

  18. Synthesis and characterization of mixed ligand chiral nanoclusters

    KAUST Repository

    Guven, Zekiye P.

    2016-06-22

    Chiral mixed ligand silver nanoclusters were synthesized in the presence of a chiral and an achiral ligand. While the chiral ligand led mostly to the formation of nanoparticles, the presence of the achiral ligand drastically increased the yield of nanoclusters with enhanced chiral properties. © 2016 The Royal Society of Chemistry.

  19. Self-organized one-atom thick fractal nanoclusters via field-induced atomic transport

    Science.gov (United States)

    Batabyal, R.; Mahato, J. C.; Das, Debolina; Roy, Anupam; Dev, B. N.

    2013-08-01

    We report on the growth of a monolayer thick fractal nanostructures of Ag on flat-top Ag islands, grown on Si(111). Upon application of a voltage pulse at an edge of the flat-top Ag island from a scanning tunneling microscope tip, Ag atoms climb from the edge onto the top of the island. These atoms aggregate to form precisely one-atom thick nanostructures of fractal nature. The fractal (Hausdorff) dimension, DH = 1.75 ± 0.05, of this nanostructure has been determined by analyzing the morphology of the growing nanocluster, imaged by scanning tunneling microscopy, following the application of the voltage pulse. This value of the fractal dimension is consistent with the diffusion limited aggregation (DLA) model. We also determined two other fractal dimensions based on perimeter-radius-of-gyration (DP) and perimeter-area (D'P) relationship. Simulations of the DLA process, with varying sticking probability, lead to different cluster morphologies [P. Meakin, Phys. Rev. A 27, 1495 (1983)]; however, the value of DH is insensitive to this difference in morphology. We suggest that the morphology can be characterized by additional fractal dimension(s) DP and/or D'P, besides DH. We also show that within the DLA process DP = DH [C. Amitrano et al., Phys. Rev. A 40, 1713 (1989)] is only a special case; in general, DP and DH can be unequal. Characterization of fractal morphology is important for fractals in nanoelectronics, as fractal morphology would determine the electron transport behavior.

  20. Ratiometric electrochemiluminescent strategy regulated by electrocatalysis of palladium nanocluster for immunosensing.

    Science.gov (United States)

    Huang, Yin; Lei, Jianping; Cheng, Yan; Ju, Huangxian

    2016-03-15

    This work designed a novel ratiometric electrochemiluminescence (ECL) immunosensing approach based on two different ECL emitters: CdS quantum dots (QDs) as cathodic emitter and luminol as anodic emitter. The ECL immunosensor was constructed by a layer-by-layer modification of CdS QDs, Au nanoparticles and capture antibody on a glassy carbon electrode. With hydrogen peroxide as ECL coreactant, the immunosensor showed a cathodic ECL emission of CdS QDs at -1.5 V (vs Ag/AgCl) in air-saturated pH 8.0 buffer. Upon the formation of sandwich immunoassay, the lumiol/palladium nanoclusters (Pd NCs)@graphene oxide probe was introduced to the electrode. Therefore, the cathodic ECL intensity decreased and luminol anodic ECL emission was appeared at +0.3 V (vs Ag/AgCl) owing to the competition of the coreactant of hydrogen peroxide. Using carcino-embryonic antigen as model, this ratiometric ECL strategy could be used for immunoassay with a linear range of 1.0-100 pg mL(-1) and a detection limit of 0.62 pg mL(-1). The enhanced ratiometric ECL signal resulted from the high density and excellent electrocatalysis of the loaded Pd NCs. The immunosensor exhibited good stability and acceptable fabrication reproducibility and accuracy, showing a great promising for clinical application. This electrocatalysis-regulated ratiometric ECL provides a new concept for ECL measurement, and could be conveniently extended for detection of other protein biomarkers. PMID:26499869

  1. Martensitic nucleation mechanism

    Institute of Scientific and Technical Information of China (English)

    陈奇志; 桑灿; 吴杏芳; 柯俊

    1997-01-01

    A sort of special dislocation configuration was deformation-induced in an Fe-Ni-V-C alloy by in-situ elongation tests of TEM. The cooling in-situ observations, as well as the SADPs from the region of the special dislocation configurations, proved that they are martensitic nuclei. In martensitic transformation, a nucleus changed into a small martensitic sub-plate, and a group of parallel sub-plates that formed from a group of parallel nuclei made up a big martensitic plate Martensitic transformation involved opposite shear between adjacent martensitic nuclei. By using the reduced-cell method, the crystallographic structure of observed martensitic nuclei was indexed as a face-centered orthogonal (FCO) lattice, which was explained by the nucleation mechanism proposed by the present authors. The crystallographic analysis confirmed that the defect faulting involved in martensitic nucleation took place among three close pakked planes, instead of between two adjacent planes as an ordinary stacking fault.

  2. Synthesis of ultrastable copper sulfide nanoclusters via trapping the reaction intermediate: potential anticancer and antibacterial applications.

    Science.gov (United States)

    Wang, Hong-Yin; Hua, Xian-Wu; Wu, Fu-Gen; Li, Bolin; Liu, Peidang; Gu, Ning; Wang, Zhifei; Chen, Zhan

    2015-04-01

    Copper-based nanomaterials have broad applications in electronics, catalysts, solar energy conversion, antibiotics, tissue imaging, and photothermal cancer therapy. However, it is challenging to prepare ultrasmall and ultrastable CuS nanoclusters (NCs) at room temperature. In this article, a simple method to synthesize water-soluble, monodispersed CuS NCs is reported based on the strategy of trapping the reaction intermediate using thiol-terminated, alkyl-containing short-chain poly(ethylene glycol)s (HS-(CH2)11-(OCH2CH2)6-OH, abbreviated as MUH). The MUH-coated CuS NCs have superior stability in solutions with varied pH values and are stable in pure water for at least 10 months. The as-prepared CuS NCs were highly toxic to A549 cancer cells at a concentration of higher than 100 μM (9.6 μg/mL), making them be potentially applicable as anticancer drugs via intravenous administration by liposomal encapsulation or by direct intratumoral injection. Besides, for the first time, CuS NCs were used for antibacterial application, and 800 μM (76.8 μg/mL) CuS NCs could completely kill the E. coli cells through damaging the cell walls. Moreover, the NCs synthesized here have strong near-infrared (NIR) absorption and can be used as a candidate reagent for photothermal therapy and photoacoustic imaging. The method of trapping the reaction intermediate for simple and controlled synthesis of nanoclusters is generally applicable and can be widely used to synthesize many metal-based (such as Pt, Pd, Au, and Ag) nanoclusters and nanocrystals.

  3. Bleb Nucleation through Membrane Peeling

    CERN Document Server

    Alert, Ricard

    2016-01-01

    We study the nucleation of blebs, i.e., protrusions arising from a local detachment of the membrane from the cortex of a cell. Based on a simple model of elastic linkers with force-dependent kinetics, we show that bleb nucleation is governed by membrane peeling. By this mechanism, the growth or shrinkage of a detached membrane patch is completely determined by the linker kinetics, regardless of the energetic cost of the detachment. We predict the critical nucleation radius for membrane peeling and the corresponding effective energy barrier. These may be typically smaller than those predicted by classical nucleation theory, implying a much faster nucleation. We also perform simulations of a continuum stochastic model of membrane-cortex adhesion to obtain the statistics of bleb nucleation times as a function of the stress on the membrane. The determinant role of membrane peeling changes our understanding of bleb nucleation and opens new directions in the study of blebs.

  4. Nucleation in Synoptically Forced Cirrostratus

    Science.gov (United States)

    Lin, R.-F.; Starr, D. OC.; Reichardt, J.; DeMott, P. J.

    2004-01-01

    Formation and evolution of cirrostratus in response to weak, uniform and constant synoptic forcing is simulated using a one-dimensional numerical model with explicit microphysics, in which the particle size distribution in each grid box is fully resolved. A series of tests of the model response to nucleation modes (homogeneous-freezing-only/heterogeneous nucleation) and heterogeneous nucleation parameters are performed. In the case studied here, nucleation is first activated in the prescribed moist layer. A continuous cloud-top nucleation zone with a depth depending on the vertical humidity gradient and one of the nucleation parameters is developed afterward. For the heterogeneous nucleation cases, intermittent nucleation zones in the mid-upper portion of the cloud form where the relative humidity is on the rise, because existent ice crystals do not uptake excess water vapor efficiently, and ice nuclei (IN) are available. Vertical resolution as fine as 1 m is required for realistic simulation of the homogeneous-freezing-only scenario, while the model resolution requirement is more relaxed in the cases where heterogeneous nucleation dominates. Bulk microphysical and optical properties are evaluated and compared. Ice particle number flux divergence, which is due to the vertical gradient of the gravity-induced particle sedimentation, is constantly and rapidly changing the local ice number concentration, even in the nucleation zone. When the depth of the nucleation zone is shallow, particle number concentration decreases rapidly as ice particles grow and sediment away from the nucleation zone. When the depth of the nucleation zone is large, a region of high ice number concentration can be sustained. The depth of nucleation zone is an important parameter to be considered in parametric treatments of ice cloud generation.

  5. Modeling of metal nanocluster growth on patterned substrates and surface pattern formation under ion bombardment

    Energy Technology Data Exchange (ETDEWEB)

    Numazawa, Satoshi

    2012-11-01

    This work addresses the metal nanocluster growth process on prepatterned substrates, the development of atomistic simulation method with respect to an acceleration of the atomistic transition states, and the continuum model of the ion-beam inducing semiconductor surface pattern formation mechanism. Experimentally, highly ordered Ag nanocluster structures have been grown on pre-patterned amorphous SiO{sub 2} surfaces by oblique angle physical vapor deposition at room temperature. Despite the small undulation of the rippled surface, the stripe-like Ag nanoclusters are very pronounced, reproducible and well-separated. The first topic is the investigation of this growth process with a continuum theoretical approach to the surface gas condensation as well as an atomistic cluster growth model. The atomistic simulation model is a lattice-based kinetic Monte-Carlo (KMC) method using a combination of a simplified inter-atomic potential and experimental transition barriers taken from the literature. An effective transition event classification method is introduced which allows a boost factor of several thousand compared to a traditional KMC approach, thus allowing experimental time scales to be modeled. The simulation predicts a low sticking probability for the arriving atoms, millisecond order lifetimes for single Ag monomers and {approx}1 nm square surface migration ranges of Ag monomers. The simulations give excellent reproduction of the experimentally observed nanocluster growth patterns. The second topic specifies the acceleration scheme utilized in the metallic cluster growth model. Concerning the atomistic movements, a classical harmonic transition state theory is considered and applied in discrete lattice cells with hierarchical transition levels. The model results in an effective reduction of KMC simulation steps by utilizing a classification scheme of transition levels for thermally activated atomistic diffusion processes. Thermally activated atomistic movements

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-05-15

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

  7. In Vivo Renal Clearance, Biodistribution, Toxicity of Gold nanoclusters

    CERN Document Server

    Zhang, Xiao-Dong; Shen, Xiu; Liu, Pei-Xun; Fan, Fei-Yue; Fan, Sai-Jun; 10.1016/j.biomaterials.2012.03.020

    2012-01-01

    Gold nanoparticles have shown great prospective in cancer diagnosis and therapy, but they can not be metabolized and prefer to accumulate in liver and spleen due to their large size. The gold nanoclusters with small size can penetrate kidney tissue and have promise to decrease in vivo toxicity by renal clearance. In this work, we explore the in vivo renal clearance, biodistribution, and toxicity responses of the BSA- and GSH-protected gold nanoclusters for 24 hours and 28 days. The BSA-protected gold nanoclusters have low-efficient renal clearance and only 1% of gold can be cleared, but the GSH-protected gold nanoclusters have high-efficient renal clearance and 36 % of gold can be cleared after 24 hours. The biodistribution further reveals that 94% of gold can be metabolized for the GSH-protected nanoclusters, but only less than 5% of gold can be metabolized for the BSA-protected nanoclusters after 28 days. Both of the GSH- and BSA-protected gold nanoclusters cause acute infection, inflammation, and kidney fu...

  8. Negative normal restitution coefficient for nanocluster collisions

    CERN Document Server

    Brilliantov, Nikolai V

    2010-01-01

    The oblique impact of nanoclusters is studied by means of Molecular Dynamics simulation. Using the standard definition of the normal restitution coefficient $e$ we observe a surprising result, that $e$ becomes negative for large incident angles. We show that this effect may be attributed to the reorientation of the contact plane during collisions, which affects $e$. We propose a modified definition of the normal restitution coefficient $\\Tilde{e}$. This, in contrast to the standard definition, characterizes exclusively the normal motion and is always positive. We develop a simple theoretical model of an oblique impact, which explains the observed behavior of the restitution coefficients and agrees well with the numerical data.

  9. On the Ice Nucleation Spectrum

    Science.gov (United States)

    Barahona, D.

    2012-01-01

    This work presents a novel formulation of the ice nucleation spectrum, i.e. the function relating the ice crystal concentration to cloud formation conditions and aerosol properties. The new formulation is physically-based and explicitly accounts for the dependency of the ice crystal concentration on temperature, supersaturation, cooling rate, and particle size, surface area and composition. This is achieved by introducing the concepts of ice nucleation coefficient (the number of ice germs present in a particle) and nucleation probability dispersion function (the distribution of ice nucleation coefficients within the aerosol population). The new formulation is used to generate ice nucleation parameterizations for the homogeneous freezing of cloud droplets and the heterogeneous deposition ice nucleation on dust and soot ice nuclei. For homogeneous freezing, it was found that by increasing the dispersion in the droplet volume distribution the fraction of supercooled droplets in the population increases. For heterogeneous ice nucleation the new formulation consistently describes singular and stochastic behavior within a single framework. Using a fundamentally stochastic approach, both cooling rate independence and constancy of the ice nucleation fraction over time, features typically associated with singular behavior, were reproduced. Analysis of the temporal dependency of the ice nucleation spectrum suggested that experimental methods that measure the ice nucleation fraction over few seconds would tend to underestimate the ice nuclei concentration. It is shown that inferring the aerosol heterogeneous ice nucleation properties from measurements of the onset supersaturation and temperature may carry significant error as the variability in ice nucleation properties within the aerosol population is not accounted for. This work provides a simple and rigorous ice nucleation framework where theoretical predictions, laboratory measurements and field campaign data can be

  10. Nonlinear analysis of nano-cluster doped fiber

    Institute of Scientific and Technical Information of China (English)

    LIU Gang; ZHANG Ru

    2007-01-01

    There are prominent nonlinear characteristics that we hope for the semiconductor nano-clusters doped fiber. Refractive index of fiber core can be effectively changed by adulteration. This technology can provide a new method for developing photons components. Because the semiconductor nano-cluster has quantum characteristics,Based on first-order perturbation theory and classical theory of fiber,we deduced refractive index expressions of fiber core,which was semiconductor nano-cluster doped fiber. Finally,third-order nonlinear coefficient equation was gained. Using this equation,we calculated SMF-28 fiber nonlinear coefficient. The equation shows that new third-order coefficient was greater.

  11. Silver Nanoclusters with Specific Ion Recognition Modulated by Ligand Passivation toward Fluorimetric and Colorimetric Copper Analysis and Biological Imaging

    Science.gov (United States)

    Sun, Zongzhao; Li, Shuying; Jiang, Yao; Qiao, Yuchun; Zhang, Liyan; Xu, Lulu; Liu, Jinghui; Qi, Wei; Wang, Hua

    2016-02-01

    Silver nanoclusters were synthesized and passivated by glutathione (GSH) ligand, with high aqueous stability and powerful red fluorescence and UV-vis yellow colour. Importantly, the specific recognition of the AgNCs was modulated from Hg2+ ions to Cu2+ ions upon the GSH passivation, of which the unique GSH-Cu2+ chelating reaction could conduct the fluorescence quenching of AgNCs. Strong UV-vis absorbance of GSH-passivated AgNCs could also be realized depending on the Cu2+ levels. Moreover, the Cu2+-induced loss of fluorescence and UV-vis absorbance of GSH-passivated AgNCs could be well restored by using stronger Cu2+ chelating agent. A simultaneous and reversible fluorimetric and colorimetric sensing method was thereby developed for probing Cu2+ ions in blood with high sensitivity and selectivity. Subsequently, the fluorescence-trackable imaging for live tissues and cells was demonstrated towards the analysis Cu2+ ions using GSH-passivated AgNCs as the fluorescent probes. This study indicates that the use of functional ligands like GSH could not only modulate the specific ion recognition of AgNCs, but also endow them the high aqueous stability and powerful red fluorescence towards the wide applications for ion sensing and biological imaging in the complicated media like blood.

  12. Highly selective detection of bacterial alarmone ppGpp with an off-on fluorescent probe of copper-mediated silver nanoclusters.

    Science.gov (United States)

    Zhang, Pu; Wang, Yi; Chang, Yong; Xiong, Zu Hong; Huang, Cheng Zhi

    2013-11-15

    In this study, a facile strategy for highly selective and sensitive detection of bacterial alarmone, ppGpp, which is generated when bacteria face stress circumstances such as nutritional deprivation, has been established by developing an off-on fluorescent probe of Cu(2+)-mediated silver nanoclusters (Ag NCs). This work not only achieves highly selective detection of ppGpp in a broad range concentration of 2-200 μM, but also improves our understanding of the specific recognitions among DNA-Ag NCs, Cu(2+), and ppGpp. The present strategy, together with other reports on the Ag NCs-related analytical methods, has also identified that Ag NCs functionalized with different molecules on their surfaces can be engineered fluorescent probes for a wide range of applications such as biosensing and bioimaging.

  13. Primary nucleation of lithium carbonate

    Institute of Scientific and Technical Information of China (English)

    Yuzhu SUN; Xingfu SONG; Jin WANG; Yan LUO; Jianguo YU

    2009-01-01

    A set of laser apparatus was used to explore the induction period and the primary nucleation of lithium carbonate. Results show that the induction period increases with the decrease of supersaturation, temperature and stirring speed. Through the classical theory of primary nucleation, many important properties involved in primary nucleation under different conditions were obtained quantitatively, including the interfacial tension between solid and liquid, contact angle, critical nucleus size, critical nuleation free energy etc.

  14. On the ice nucleation spectrum

    OpenAIRE

    D. Barahona

    2011-01-01

    This work presents a novel formulation of the ice nucleation spectrum, i.e. the function relating the ice crystal concentration to cloud formation conditions and aerosol properties. The new formulation relies on a statistical view of the ice nucleation process and explicitly accounts for the dependency of the ice crystal concentration on temperature, supersaturation, cooling rate, and particle size, and, in the case of heterogeneous ice nucleation, on the distributions of particle area and su...

  15. Effect of compartmentalization of donor and acceptor on the ultrafast resonance energy transfer from DAPI to silver nanoclusters

    Science.gov (United States)

    Prajapati, Roopali; Chatterjee, Surajit; Kannaujiya, Krishna K.; Mukherjee, Tushar Kanti

    2016-06-01

    The mechanism and dynamics of excitation energy transfer (EET) from photo-excited 4',6-diamidino-2-phenylindole (DAPI) to silver nanoclusters (Ag NCs) and its subsequent modulation in the presence of cationic polymer poly(diallyldimethylammonium chloride) (PDADMAC) and Calf Thymus DNA (CT-DNA) have been demonstrated using steady-state fluorescence and femtosecond fluorescence upconversion techniques. The synthesized Ag NCs were characterized using FTIR, mass spectrometry, XPS, HRTEM, DLS, UV-Vis and PL spectroscopy. Mass spectrometric analysis reveals the formation of ultrasmall Ag4 NCs with a small amount of Ag5 NCs. UV-Vis and PL spectra reveal distinct molecular-like optoelectronic behaviour of these ultrasmall Ag NCs. The dihydrolipoic acid-capped Ag NCs strongly quench the fluorescence of DAPI with concomitant increase in its photoluminescence (PL) intensity at 675 nm. This steady-state fluorescence quenching proceeds with a significant shortening of the fluorescence lifetime of DAPI in the presence of Ag NCs, signifying the nonradiative Förster resonance energy transfer (FRET) from DAPI to Ag NCs. Various energy transfer parameters have been estimated from FRET theory. The present FRET pair shows a characteristic Förster distance of 2.45 nm and can be utilized as a reporter of short-range distances in various FRET based applications. Moreover, this nonradiative FRET is completely suppressed in the presence of both 0.2 wt% PDADMAC and CT-DNA. Our results reveal selective compartmentalization of Ag NCs and DAPI in the presence of 0.2 wt% PDADMAC and CT-DNA, respectively. This selective compartmentalization of donor and acceptor and the subsequent modification of the FRET process may find application in various sensing, photovoltaic, and light harvesting applications.The mechanism and dynamics of excitation energy transfer (EET) from photo-excited 4',6-diamidino-2-phenylindole (DAPI) to silver nanoclusters (Ag NCs) and its subsequent modulation in the presence

  16. Nucleation of nuclear bodies.

    Science.gov (United States)

    Dundr, Miroslav

    2013-01-01

    The nucleus is a complex organelle containing numerous highly dynamic, structurally stable domains and bodies, harboring functions that have only begun to be defined. However, the molecular mechanisms for their formation are still poorly understood. Recently it has been shown that a nuclear body can form de novo by self-organization. But little is known regarding what triggers the formation of a nuclear body and how subsequent assembly steps are orchestrated. Nuclear bodies are frequently associated with specific active gene loci that directly contribute to their formation. Both coding and noncoding RNAs can initiate the assembly of nuclear bodies with which they are physiologically associated. Thus, the formation of nuclear bodies occurs via recruitment and consequent accumulation of resident proteins in the nuclear bodies by nucleating RNA acting as a seeder. In this chapter I describe how to set up an experimental cell system to probe de novo biogenesis of a nuclear body by nucleating RNA and nuclear body components tethered on chromatin. PMID:23980018

  17. Effect of compartmentalization of donor and acceptor on the ultrafast resonance energy transfer from DAPI to silver nanoclusters.

    Science.gov (United States)

    Prajapati, Roopali; Chatterjee, Surajit; Kannaujiya, Krishna K; Mukherjee, Tushar Kanti

    2016-07-14

    The mechanism and dynamics of excitation energy transfer (EET) from photo-excited 4',6-diamidino-2-phenylindole (DAPI) to silver nanoclusters (Ag NCs) and its subsequent modulation in the presence of cationic polymer poly(diallyldimethylammonium chloride) (PDADMAC) and Calf Thymus DNA (CT-DNA) have been demonstrated using steady-state fluorescence and femtosecond fluorescence upconversion techniques. The synthesized Ag NCs were characterized using FTIR, mass spectrometry, XPS, HRTEM, DLS, UV-Vis and PL spectroscopy. Mass spectrometric analysis reveals the formation of ultrasmall Ag4 NCs with a small amount of Ag5 NCs. UV-Vis and PL spectra reveal distinct molecular-like optoelectronic behaviour of these ultrasmall Ag NCs. The dihydrolipoic acid-capped Ag NCs strongly quench the fluorescence of DAPI with concomitant increase in its photoluminescence (PL) intensity at 675 nm. This steady-state fluorescence quenching proceeds with a significant shortening of the fluorescence lifetime of DAPI in the presence of Ag NCs, signifying the nonradiative Förster resonance energy transfer (FRET) from DAPI to Ag NCs. Various energy transfer parameters have been estimated from FRET theory. The present FRET pair shows a characteristic Förster distance of 2.45 nm and can be utilized as a reporter of short-range distances in various FRET based applications. Moreover, this nonradiative FRET is completely suppressed in the presence of both 0.2 wt% PDADMAC and CT-DNA. Our results reveal selective compartmentalization of Ag NCs and DAPI in the presence of 0.2 wt% PDADMAC and CT-DNA, respectively. This selective compartmentalization of donor and acceptor and the subsequent modification of the FRET process may find application in various sensing, photovoltaic, and light harvesting applications. PMID:27304093

  18. Rapid restriction enzyme free detection of DNA methyltransferase activity based on DNA-templated silver nanoclusters.

    Science.gov (United States)

    Kermani, Hanie Ahmadzade; Hosseini, Morteza; Dadmehr, Mehdi; Ganjali, Mohammad Reza

    2016-06-01

    DNA methylation has significant roles in gene regulation. DNA methyltransferase (MTase) enzyme characterizes DNA methylation and also induces an aberrant methylation pattern that is related to many diseases, especially cancers. Thus, it is required to develop a method to detect the DNA MTase activity. In this study, we developed a new sensitive and reliable method for methyltransferase activity assay by employing DNA-templated silver nanoclusters (DNA/Ag NCs) without using restriction enzymes. The Ag NCs have been utilized for the determination of M.SssI MTase activity and its inhibition. We designed an oligonucleotide probe which contained an inserted six-cytosine loop as Ag NCs formation template. The changes in fluorescence intensity were monitored to quantify the M.SssI activity. The fluorescence spectra showed a linear decrease in the range of 0.4 to 20 U/ml with a detection limit of 0.1 U/ml, which was significant compared with previous reports. The proposed method was applied successfully for demonstrating the Gentamicin effect as MTase inhibitor. The proposed method showed convenient reproducibility and sensitivity indicating its potential for the determination of methyltransferase activity. PMID:27052776

  19. Compositional changes of Pd-Au bimetallic nanoclusters upon hydrogenation

    OpenAIRE

    Di Vece, M; Bals, S.; Verbeeck, J.; Lievens, P.; van Tendeloo, G.

    2009-01-01

    Changes in the size distribution and composition of bimetallic Pd-Au nanoclusters have been observed after hydrogen exposure. This effect is caused by hydrogen-induced Ostwald ripening whereby the hydrogen reduces the binding energy of the cluster atoms leading to their detachment from the cluster. The composition changes due to a difference in mobility of the detached palladium and gold atoms on the surface. Fast palladium atoms contribute to the formation of larger nanoclusters, while the s...

  20. Surface modification of adamantane-terminated gold nanoclusters using cyclodextrins.

    Science.gov (United States)

    Yan, Chunyang; Liu, Chao; Abroshan, Hadi; Li, Zhimin; Qiu, Renhua; Li, Gao

    2016-08-17

    The surface functionality of Au38S2(SAdm)20 nanoclusters (-SAdm = adamantanethiolate) in the presence of α-, β-, and γ-cyclodextrins (CDs) is studied. The supramolecular chemistry and host-guest interactions of CDs and the protecting ligands of nanoclusters are investigated using UV-vis and NMR spectroscopies, MALDI mass spectrometry, and molecular dynamics simulations. In contrast to α- and γ-CDs, the results show that β-CDs are capable of efficiently chemisorbing onto the Au38S2(SAdm)20 nanoclusters to yield Au38S2(SAdm)20-(β-CD)2 conjugates. MD simulations revealed that two -SAdm ligands of the nanoparticle with the least steric hindrance are capable to selectively be accommodated into hydrophobic cavity of β-CDs, as furthermore confirmed by NMR spectroscopy. The conjugates largely improve the stability of the nanoclusters in the presence of strong oxidants (e.g., TBHP). Further, the electrochemical properties of Au38S2(SAdm)20 nanoclusters and Au38S2(SAdm)20-(β-CD)2 conjugates are compared. The charge transfer to the redox probe molecules (e.g., K3Fe(CN)6) in solution was monitored by cyclic voltammetry. It is found that β-CDs act as an umbrella to cover the fragile metal cores of the nanoclusters, thereby blocking direct interaction with destabilizing agents and hence quenching the charge transfer process.

  1. Surface modification of adamantane-terminated gold nanoclusters using cyclodextrins.

    Science.gov (United States)

    Yan, Chunyang; Liu, Chao; Abroshan, Hadi; Li, Zhimin; Qiu, Renhua; Li, Gao

    2016-08-17

    The surface functionality of Au38S2(SAdm)20 nanoclusters (-SAdm = adamantanethiolate) in the presence of α-, β-, and γ-cyclodextrins (CDs) is studied. The supramolecular chemistry and host-guest interactions of CDs and the protecting ligands of nanoclusters are investigated using UV-vis and NMR spectroscopies, MALDI mass spectrometry, and molecular dynamics simulations. In contrast to α- and γ-CDs, the results show that β-CDs are capable of efficiently chemisorbing onto the Au38S2(SAdm)20 nanoclusters to yield Au38S2(SAdm)20-(β-CD)2 conjugates. MD simulations revealed that two -SAdm ligands of the nanoparticle with the least steric hindrance are capable to selectively be accommodated into hydrophobic cavity of β-CDs, as furthermore confirmed by NMR spectroscopy. The conjugates largely improve the stability of the nanoclusters in the presence of strong oxidants (e.g., TBHP). Further, the electrochemical properties of Au38S2(SAdm)20 nanoclusters and Au38S2(SAdm)20-(β-CD)2 conjugates are compared. The charge transfer to the redox probe molecules (e.g., K3Fe(CN)6) in solution was monitored by cyclic voltammetry. It is found that β-CDs act as an umbrella to cover the fragile metal cores of the nanoclusters, thereby blocking direct interaction with destabilizing agents and hence quenching the charge transfer process. PMID:27498695

  2. Tailoring the magnetic properties of cobalt-ferrite nanoclusters

    Energy Technology Data Exchange (ETDEWEB)

    Vega, A. Estrada de la; Garza-Navarro, M. A., E-mail: marco.garzanr@uanl.edu.mx; Durán-Guerrero, J. G.; Moreno Cortez, I. E.; Lucio-Porto, R.; González-González, V. [Universidad Autónoma de Nuevo León, Facultad de Ingeniería Mecánica y Eléctrica (Mexico)

    2016-01-15

    In this contribution, we report on the tuning of magnetic properties of cobalt-ferrite nanoclusters. The cobalt-ferrite nanoclusters were synthesized from a two-step approach that consists of the synthesis of cobalt-ferrite nanoparticles in organic media, followed by their dispersion into aqueous dissolution to form an oil-in-water emulsion. These emulsions were prepared at three different concentrations of the cationic surfactant cetyltrimethylammonium bromide (CTAB), in order to control the size and clustering density of the nanoparticles in the nanoclusters. The synthesized samples were characterized by transmission electron microscopy and their related techniques, such as bright-field and Z-contrast imaging, electron diffraction and energy-dispersive X-ray spectrometry; as well as static magnetic measures. The experimental evidence indicates that the size, morphology, and nanoparticles clustering density in the nanoclusters is highly dependent of the cobalt-ferrite:CTAB molar ratio that is used in their synthesis. In addition, due to the clustering of the nanoparticles into the nanoclusters, their magnetic moments are blocked to relax cooperatively. Hence, the magnetic response of the nanoclusters can be tailored by controlling the size and nanoparticles clustering density.

  3. Theory and Simulation of Nucleation

    NARCIS (Netherlands)

    Kuipers, J.

    2009-01-01

    Nucleation is the process where a stable nucleus spontaneously emerges in a metastable environment. Examples of nucleation abound, for instance the formation of droplets in undercooled gasses and of crystals in undercooled liquids. The process is thermally activated and is key to understanding vario

  4. Nucleation of Crystals in Solution

    Science.gov (United States)

    Vekilov, Peter G.

    2010-07-01

    Solution crystallization is an essential part of processes in the chemical and pharmaceutical industries and a major step in physiological and pathological phenomena. Crystallization starts with nucleation and control of nucleation is crucial for the control of the number, size, perfection, polymorphism and other characteristics of the crystalline materials. Recently, there have been significant advances in the understanding of the mechanism of nucleation of crystals in solution. The most significant of these is the two-step mechanism of nucleation, according to which the crystalline nucleus appears inside pre-existing metastable clusters of size several hundred nanometers, which consist of dense liquid and are suspended in the solution. While initially proposed for protein crystals, the applicability of this mechanism has been demonstrated for small molecule organic materials, colloids, and biominerals. This mechanism helps to explain several long-standing puzzles of crystal nucleation in solution: nucleation rates which are many orders of magnitude lower than theoretical predictions, nucleation kinetic dependencies with steady or receding parts at increasing supersaturation, the role of heterogeneous substrates for polymorph selection, the significance of the dense protein liquid, and others. More importantly, this mechanism provides powerful tools for control of the nucleation process by varying the solution thermodynamic parameters so that the volume occupied by the dense liquid shrinks or expands.

  5. Preparation of AgBr Nanoparticles in Microemulsions Via Reaction of AgNO{sub 3} with CTAB Counterion

    Energy Technology Data Exchange (ETDEWEB)

    Husein, Maen M. [University of Calgary, Department of Chemical and Petroleum Engineering (Canada)], E-mail: mhusein@ucalgary.ca; Rodil, Eva; Vera, Juan H. [McGill University, Department of Chemical Engineering (Canada)

    2007-10-15

    Nanoparticles of AgBr were prepared by precipitating AgBr in the water pools of microemulsions consisting of CTAB, n-butanol, isooctane and water. An aqueous solution of AgNO{sub 3} added to the microemulsion was the source of Ag{sup +} ions. The formation of AgBr nanoparticles in microemulsions through direct reaction with the surfactant counterion is a novel approach aimed at decreasing the role of intermicellar nucleation on nanoparticle formation for rapid reactions. The availability of the surfactant counterion in every reverse micelle and the rapidity of the reaction with the counterion trigger nucleation within individual reverse micelles. The effect of the following variables on the particle size and size distribution was investigated: the surfactant and cosurfactant concentrations, moles of AgNO{sub 3} added, and water to surfactant mole ratio, R. High concentration of the surfactant or cosurfactant, or high water content of the microemulsion favored intermicellar nucleation and resulted in the formation of large particles with broad size distribution, while high amounts of AgNO{sub 3} favored nucleation within individual micelles and resulted in small nanoparticles with narrow size distribution. A blue shift in the UV absorption threshold corresponding to a decrease in the particle size was generally observed. Notably, the variation of the absorption peak size with the nanoparticle size was opposite to those reported by us in previous studies using different surfactants.

  6. Microwave-assisted synthesis of photoluminescent glutathione-capped Au/Ag nanoclusters: A unique sensor-on-a-nanoparticle for metal ions, anions, and small molecules

    Institute of Scientific and Technical Information of China (English)

    Jia Zhang[1; Yue Yuan[1; Yu Wang[2; Fanfei Sun[2; Gaolin Liang[1; Zheng Jiang[2; Shu-Hong Yu[1,3

    2015-01-01

    Even though great advances have been achieved in the synthesis of luminescent metal nanoclusters, it is still challenging to develop metal nanoclusters with high quantum efficiency as well as multiple sensing functionalities. Here, we demonstrate the rapid preparation of glutathione-capped Au/Ag nanoclusters (GS-Au/Ag NCs) using microwave irradiation and their unique sensing capacities. Compared to bare GS-Au NCs, the doped Au/Ag NCs possess an enhanced quantum yield (7.8% compared to 2.2% for GS-Au NCs). Several characterization techniques were used to elucidate the atomic composition, particulate character, and electronic structure of the fabricated NCs. According to the X-ray photoelectron spectroscopy (XPS) and X-ray absorption near-edge structure (XANES) spectra, a significant amount of Au exists in the oxidized state as Au(I), and the Ag atoms are positively charged. In contrast to those nanoclusters that detect only one analyte, the GS-Au/Ag NCs can be used as a versatile sensor for metal ions, anions, and small molecules. In this manner, the NCs can be regarded as a unique sensor-on-a-nanoparticle.

  7. Hairpin DNA probe with 5'-TCC/CCC-3' overhangs for the creation of silver nanoclusters and miRNA assay.

    Science.gov (United States)

    Xia, Xiaodong; Hao, Yuanqiang; Hu, Shengqiang; Wang, Jianxiu

    2014-01-15

    A facile strategy for the assay of target miRNA using fluorescent silver nanoclusters (AgNCs) has been described. Due to the preferable interaction between cytosine residues and Ag(+), a short cytosine-rich oligonucleotide (ODN) with only six bases 5'-TCCCCC-3' served as an efficient scaffold for the creation of the AgNCs. The AgNCs displayed a bright red emission when excited at 545nm. Such ODN base-stabilized AgNCs have been exploited for miRNA sensing. Overhangs of TCC at the 5' end (5'-TCC) and CCC at the 3' end (CCC-3') (denoted as 5'-TCC/CCC-3') appended to the hairpin ODN probe which also contains recognition sequences for target miRNA were included. Interestingly, the AgNCs/hairpin ODN probe showed similar spectral properties as that templated by 5'-TCCCCC-3'. The formation of the hairpin ODN probe/miRNA duplex separated the 5'-TCC/CCC-3' overhangs, thus disturbing the optical property or structure of the AgNCs. As a result, fluorescence quenching of the AgNCs/hairpin ODN probe was obtained, which allows for facile determination of target miRNA. The proposed method is simple and cost-effective, holding great promise for clinical applications.

  8. Improvement in the photocurrent collection due to enhanced absorption of light by synthesizing staggered layers of silver nanoclusters in silicon

    Energy Technology Data Exchange (ETDEWEB)

    Dhoubhadel, Mangal S.; Lakshantha, Wickramaarachchige J.; Rout, Bibhudutta; McDaniel, Floyd D., E-mail: mcdaniel@unt.edu [Ion Beam Modification and Analysis Laboratory, Department of Physics, University of North Texas, Denton, Texas 76203 (United States); Lightbourne, Sherard; D’Souza, Francis [Department of Chemistry, University of North Texas, Denton, Texas 76203 (United States)

    2015-07-23

    The quest for increased efficiency of solar cells has driven the research in synthesizing photovoltaic cells involving Si based materials. The efficiency of solar cells involving crystalline Si is stalled around 25% for the last decade. Recently Shi et al. had shown that light trapping can be enhanced by fabricating double layers of Ag nanoparticles in silicon based materials. The light trapping is critically important in a photo devices such as solar cells in order to increase light absorption and efficiency. In the present work, we report enhancement in the absorption of light in Ag ion implanted Si substrates. Multiple low energies Ag ions, ranging from ∼80 keV to ∼30 keV, with different fluences ranging from ∼1 × 10{sup 16} to ∼1 × 10{sup 17} atoms/cm{sup 2} were sequentially implanted into commercially available Si (100) substrates followed by post-thermal annealing to create different sizes of Ag nanoclusters (NC) at different depths in the top 100 nm of the Si. The absorbance of light is increased in Ag implanted Si with a significant increase in the current collection in I-V (current-voltage) photo switching measurements. The experimental photovoltaic cells fabricated with the Ag-implanted Si samples were optically characterized under AM (air mass) 1.5 solar radiation conditions (∼1.0 kW/m{sup 2}). An enhancement in the charge collection were measured in the annealed samples, where prominent Ag NCs were formed in the Si matrix compared to the as-implanted samples with amorphous layers. We believe the enhancement of the photo-current density from the samples with Ag NC is due to the improvement of efficiency of charge collection of e{sup −}-h{sup +} pairs produced by the incident light.

  9. Synthesis of crystalline Ge nanoclusters in PE-CVD-deposited SiO2 films

    DEFF Research Database (Denmark)

    Leervad Pedersen, T.P.; Skov Jensen, J.; Chevallier, J.;

    2005-01-01

    The synthesis of evenly distributed Ge nanoclusters in plasma-enhanced chemical-vapour-deposited (PE-CVD) SiO2 thin films containing 8 at. % Ge is reported. This is of importance for the application of nanoclusters in semiconductor technology. The average diameter of the Ge nanoclusters can...

  10. Sub-micron scale patterning of fluorescent silver nanoclusters using low-power laser

    OpenAIRE

    Puskal Kunwar; Jukka Hassinen; Godofredo Bautista; Ras, Robin H. A.; Juha Toivonen

    2016-01-01

    Noble metal nanoclusters are ultrasmall nanomaterials with tunable properties and huge application potential; however, retaining their enhanced functionality is difficult as they readily lose their properties without stabilization. Here, we demonstrate a facile synthesis of highly photostable silver nanoclusters in a polymer thin film using visible light photoreduction. Furthermore, the different stages of the nanocluster formation are investigated in detail using absorption and fluorescence ...

  11. ASPP2 Is a Novel Pan-Ras Nanocluster Scaffold

    Science.gov (United States)

    Posada, Itziar M. D.; Serulla, Marc; Zhou, Yong; Oetken-Lindholm, Christina

    2016-01-01

    Ras-induced senescence mediated through ASPP2 represents a barrier to tumour formation. It is initiated by ASPP2’s interaction with Ras at the plasma membrane, which stimulates the Raf/MEK/ERK signaling cascade. Ras to Raf signalling requires Ras to be organized in nanoscale signalling complexes, called nanocluster. We therefore wanted to investigate whether ASPP2 affects Ras nanoclustering. Here we show that ASPP2 increases the nanoscale clustering of all oncogenic Ras isoforms, H-ras, K-ras and N-ras. Structure-function analysis with ASPP2 truncation mutants suggests that the nanocluster scaffolding activity of ASPP2 converges on its α-helical domain. While ASPP2 increased effector recruitment and stimulated ERK and AKT phosphorylation, it did not increase colony formation of RasG12V transformed NIH/3T3 cells. By contrast, ASPP2 was able to suppress the transformation enhancing ability of the nanocluster scaffold Gal-1, by competing with the specific effect of Gal-1 on H-rasG12V- and K-rasG12V-nanoclustering, thus imposing ASPP2’s ERK and AKT signalling signature. Similarly, ASPP2 robustly induced senescence and strongly abrogated mammosphere formation irrespective of whether it was expressed alone or together with Gal-1, which by itself showed the opposite effect in Ras wt or H-ras mutant breast cancer cells. Our results suggest that Gal-1 and ASPP2 functionally compete in nanocluster for active Ras on the plasma membrane. ASPP2 dominates the biological outcome, thus switching from a Gal-1 supported growth-promoting setting to a senescence inducing and stemness suppressive program in cancer cells. Our results support Ras nanocluster as major integrators of tumour fate decision events. PMID:27437940

  12. Climate Impacts of Ice Nucleation

    Science.gov (United States)

    Gettelman, Andrew; Liu, Xiaohong; Barahona, Donifan; Lohmann, Ulrike; Chen, Celia

    2012-01-01

    Several different ice nucleation parameterizations in two different General Circulation Models (GCMs) are used to understand the effects of ice nucleation on the mean climate state, and the Aerosol Indirect Effects (AIE) of cirrus clouds on climate. Simulations have a range of ice microphysical states that are consistent with the spread of observations, but many simulations have higher present-day ice crystal number concentrations than in-situ observations. These different states result from different parameterizations of ice cloud nucleation processes, and feature different balances of homogeneous and heterogeneous nucleation. Black carbon aerosols have a small (0.06 Wm(exp-2) and not statistically significant AIE when included as ice nuclei, for nucleation efficiencies within the range of laboratory measurements. Indirect effects of anthropogenic aerosols on cirrus clouds occur as a consequence of increasing anthropogenic sulfur emissions with different mechanisms important in different models. In one model this is due to increases in homogeneous nucleation fraction, and in the other due to increases in heterogeneous nucleation with coated dust. The magnitude of the effect is the same however. The resulting ice AIE does not seem strongly dependent on the balance between homogeneous and heterogeneous ice nucleation. Regional effects can reach several Wm2. Indirect effects are slightly larger for those states with less homogeneous nucleation and lower ice number concentration in the base state. The total ice AIE is estimated at 0.27 +/- 0.10 Wm(exp-2) (1 sigma uncertainty). This represents a 20% offset of the simulated total shortwave AIE for ice and liquid clouds of 1.6 Wm(sup-2).

  13. Sodium cholate-templated blue light-emitting Ag subnanoclusters: in vivo toxicity and imaging in zebrafish embryos.

    Science.gov (United States)

    Chandirasekar, Shanmugam; Chandrasekaran, Chandramouli; Muthukumarasamyvel, Thangavel; Sudhandiran, Ganapasam; Rajendiran, Nagappan

    2015-01-28

    We report a novel green chemical approach for the synthesis of blue light-emitting and water-soluble Ag subnanoclusters, using sodium cholate (NaC) as a template at a concentration higher than the critical micelle concentration (CMC) at room temperature. However, under photochemical irradiation, small anisotropic and spherically shaped Ag nanoparticles (3-11 nm) were obtained upon changing the concentration of NaC from below to above the CMC. The matrix-assisted laser desorption ionization time-of-flight and electrospray ionization mass spectra showed that the cluster sample was composed of Ag4 and Ag6. The optical properties of the clusters were studied by UV-visible and luminescence spectroscopy. The lifetime of the synthesized fluorescent Ag nanoclusters (AgNCs) was measured using a time-correlated single-photon counting technique. High-resolution transmission electron microscopy was used to assess the size of clusters and nanoparticles. A protocol for transferring nanoclusters to organic solvents is also described. Toxicity and bioimaging studies of NaC templated AgNCs were conducted using developmental stage zebrafish embryos. From the survival and hatching experiment, no significant toxic effect was observed at AgNC concentrations of up to 200 μL/mL, and the NC-stained embryos exhibited blue fluorescence with high intensity for a long period of time, which shows that AgNCs are more stable in living system.

  14. NanoClusters Enhance Drug Delivery in Mechanical Ventilation

    Science.gov (United States)

    Pornputtapitak, Warangkana

    The overall goal of this thesis was to develop a dry powder delivery system for patients on mechanical ventilation. The studies were divided into two parts: the formulation development and the device design. The pulmonary system is an attractive route for drug delivery since the lungs have a large accessible surface area for treatment or drug absorption. For ventilated patients, inhaled drugs have to successfully navigate ventilator tubing and an endotracheal tube. Agglomerates of drug nanoparticles (also known as 'NanoClusters') are fine dry powder aerosols that were hypothesized to enable drug delivery through ventilator circuits. This Thesis systematically investigated formulations of NanoClusters and their aerosol performance in a conventional inhaler and a device designed for use during mechanical ventilation. These engineered powders of budesonide (NC-Bud) were delivered via a MonodoseRTM inhaler or a novel device through commercial endotracheal tubes, and analyzed by cascade impaction. NC-Bud had a higher efficiency of aerosol delivery compared to micronized stock budesonide. The delivery efficiency was independent of ventilator parameters such as inspiration patterns, inspiration volumes, and inspiration flow rates. A novel device designed to fit directly to the ventilator and endotracheal tubing connections and the MonodoseRTM inhaler showed the same efficiency of drug delivery. The new device combined with NanoCluster formulation technology, therefore, allowed convenient and efficient drug delivery through endotracheal tubes. Furthermore, itraconazole (ITZ), a triazole antifungal agent, was formulated as a NanoCluster powder via milling (top-down process) or precipitation (bottom-up process) without using any excipients. ITZ NanoClusters prepared by wet milling showed better aerosol performance compared to micronized stock ITZ and ITZ NanoClusters prepared by precipitation. ITZ NanoClusters prepared by precipitation methods also showed an amorphous state

  15. Binary nucleation beyond capillarity approximation

    NARCIS (Netherlands)

    Kalikmanov, V.I.

    2010-01-01

    Large discrepancies between binary classical nucleation theory (BCNT) and experiments result from adsorption effects and inability of BCNT, based on the phenomenological capillarity approximation, to treat small clusters. We propose a model aimed at eliminating both of these deficiencies. Adsorption

  16. On the ice nucleation spectrum

    OpenAIRE

    D. Barahona

    2012-01-01

    This work presents a novel formulation of the ice nucleation spectrum, i.e. the function relating the ice crystal concentration to cloud formation conditions and aerosol properties. The new formulation is physically-based and explicitly accounts for the dependency of the ice crystal concentration on temperature, supersaturation, cooling rate, and particle size, surface area and composition. This is achieved by introducing the concepts of ice nucleation coefficient (the numb...

  17. Short review on Controlled Nucleation

    Directory of Open Access Journals (Sweden)

    Gupta Anuj

    2012-09-01

    Full Text Available Freeze-drying (also known as lyophilization or cryodesiccation is a dehydration process mainly used to preserve for perishable material and this method make the material more convenient for transport. Freezedrying works by freezing the material and then reducing the surrounding pressure and giving sufficient heat to allow the frozen water into the material to sublime directly from the solid phase to gas phase. Sublimation is the transition of a substance from the solid to the vapor state, without first passing through an intermediate liquid phase. A method to achieve controlled ice nucleation during the freeze-drying process using an ice fog, vial treatment, ultrasound, additives and electro freezing technique was demonstrated in an earlier report. And by the potential of a high electric field was utilized to induce ice nucleus formation in aqueous solutions. Using this technique it was possible to reduce the primary drying time during lyophilization. [1] Many technical issues surrounding the freeze-drying process have been addressed over the past several decades. Better understanding of critical formulation characteristics and cycle conditions. There are two types of technique for nucleation 1 Uncontrolled Nucleation, 2 Controlled Nucleation. The objectives of the present study simply introduce controlled Nucleation is the rapid ice nucleation in freeze drying technique. [2

  18. Gas hydrate nucleation

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-12-31

    The overall aim of the project was to gain more knowledge about the kinetics of gas hydrate formation especially the early growth phase. Knowledge of kinetics of gas hydrate formation is important and measurements of gas hydrate particle size and concentration can contribute to improve this knowledge. An experimental setup for carrying out experimental studies of the nucleation and growth of gas hydrates has been constructed and tested. Multi wavelength extinction (MWE) was the experimental technique selected for obtaining particle diameter and concentration. The principle behind MWE is described as well as turbidity spectrum analysis that in an initial stage of the project was considered as an alternative experimental technique. Details of the experimental setup and its operation are outlined. The measuring cell consists of a 1 litre horizontal tube sustaining pressures up to 200 bar. Laser light for particle size determination can be applied through sapphire windows. A description of the various auxiliary equipment and of another gas hydrate cell used in the study are given. A computer program for simulation and analysis of gas hydrate experiments is based on the gas hydrate kinetics model proposed by Skovborg and Rasmussen (1993). Initial measurements showed that knowledge of the refractive index of gas hydrates was important in order to use MWE. An experimental determination of the refractive index of methane and natural gas hydrate is described. The test experiments performed with MWE on collectives of gas hydrate particles and experiments with ethane, methane and natural gas hydrate are discussed. Gas hydrate particles initially seem to grow mainly in size and at latter stages in number. (EG) EFP-94; 41 refs.

  19. Graphene oxide/nucleic-acid-stabilized silver nanoclusters: functional hybrid materials for optical aptamer sensing and multiplexed analysis of pathogenic DNAs.

    Science.gov (United States)

    Liu, Xiaoqing; Wang, Fuan; Aizen, Ruth; Yehezkeli, Omer; Willner, Itamar

    2013-08-14

    Hybrid systems consisting of nucleic-acid-functionalized silver nanoclusters (AgNCs) and graphene oxide (GO) are used for the development of fluorescent DNA sensors and aptasensors, and for the multiplexed analysis of a series of genes of infectious pathogens. Two types of nucleic-acid-stabilized AgNCs are used: one type includes the red-emitting AgNCs (616 nm) and the second type is near-infrared-emitting AgNCs (775 nm). Whereas the nucleic-acid-stabilized AgNCs do not bind to GO, the conjugation of single-stranded nucleic acid to the DNA-stabilized AgNCs leads to the adsorption of the hybrid nanostructures to GO and to the fluorescence quenching of the AgNCs. By the conjugation of oligonucleotide sequences acting as probes for target genes, or as aptamer sequences, to the nucleic-acid-protected AgNCs, the desorption of the probe/nucleic-acid-stabilized AgNCs from GO through the formation of duplex DNA structures or aptamer-substrate complexes leads to the generation of fluorescence as a readout signal for the sensing events. The hybrid nanostructures are implemented for the analysis of hepatitis B virus gene (HBV), the immunodeficiency virus gene (HIV), and the syphilis (Treponema pallidum) gene. Multiplexed analysis of the genes is demonstrated. The nucleic-acid-AgNCs-modified GO is also applied to detect ATP or thrombin through the release of the respective AgNCs-labeled aptamer-substrate complexes from GO. PMID:23841845

  20. Nanoclustering in Silicon Induced by Oxygen Ions Implanted

    Directory of Open Access Journals (Sweden)

    D. Manno

    2011-11-01

    Full Text Available We report about the nanoclustering induced by oxygen‐implantation in silicon. A tandem‐type accelerator, with a maximum acceleration voltage of 3 MV, equipped with a sputtering ion source suitable for the production of high current ion beams by sputtering of solid cathodes has been used. The surface modifications and the structure of nanoclusters are investigated. The topographic images, obtained by scanning tunnelling microscope showed that the surface is covered with a dense array of tetragonal nanostructures oriented with respect to the substrate. Raman spectroscopy data allowed us to estimate an average cluster size of about 50 nm. Resistivity and Hall effect measurements evidenced that the electron transport in the implanted silicon samples is affected by the nanoclusters array and it could be explained by thermally activated hopping between localized states.

  1. Dynamic features of rod-shaped Au nanoclusters

    Science.gov (United States)

    So, Woong Young; Das, Anindita; Wang, Shuxin; Zhao, Shuo; Byun, Hee Young; Lee, Dana; Kumar, Santosh; Jin, Rongchao; Peteanu, Linda A.

    2015-08-01

    Gold nanoclusters hold many potential applications such as biosensing and optics due to their emission characteristics, small size, and non-toxicity. However, their low quantum yields remain problematic for further applications, and their fluorescence mechanism is still unclear. To increase the low quantum yields, various methods have been performed: doping, tuning structures, and changing number of gold atoms. In the past, most characterizations have been performed on spherical shaped nanoclusters; in this paper, several characterizations of various rod-shaped Au nanoclusters specifically on Au25 are shown. It has been determined that the central gold atom in Au25 nano-rod is crucial in fluorescence. Furthermore, single molecule analysis of silver doped Au25 nano-rod revealed that it has more photo-stability than conjugated polymers and quantum dots.

  2. Resonance energy transfer between fluorescent BSA protected Au nanoclusters and organic fluorophores.

    Science.gov (United States)

    Raut, Sangram; Rich, Ryan; Fudala, Rafal; Butler, Susan; Kokate, Rutika; Gryczynski, Zygmunt; Luchowski, Rafal; Gryczynski, Ignacy

    2014-01-01

    Bovine serum albumin (BSA) protected nanoclusters (Au and Ag) represent a group of nanomaterials that holds great promise in biophysical applications due to their unique fluorescence properties and lack of toxicity. These metal nanoclusters have utility in a variety of disciplines including catalysis, biosensing, photonics, imaging and molecular electronics. However, they suffer from several disadvantages such as low fluorescence quantum efficiency (typically near 6%) and broad emission spectrum (540 nm to 800 nm). We describe an approach to enhance the apparent brightness of BSA Au clusters by linking them with a high extinction donor organic dye pacific blue (PB). In this conjugate PB acts as a donor to BSA Au clusters and enhances its brightness by resonance energy transfer (RET). We found that the emission of BSA Au clusters can be enhanced by a magnitude of two-fold by resonance energy transfer (RET) from the high extinction donor PB, and BSA Au clusters can act as an acceptor to nanosecond lifetime organic dyes. By pumping the BSA Au clusters using a high extinction donor, one can increase the effective brightness of less bright fluorophores like BSA Au clusters. Moreover, we prepared another conjugate of BSA Au clusters with the near infrared (NIR) dye Dylight 750 (Dy750), where BSA Au clusters act as a donor to Dy750. We observed that BSA Au clusters can function as a donor, showing 46% transfer efficiency to the NIR dye Dy750 with a long lifetime component in the acceptor decay through RET. Such RET-based probes can be used to prevent the problems of a broad emission spectrum associated with the BSA Au clusters. Moreover, transferring energy from BSA Au clusters to Dy750 will result in a RET probe with a narrow emission spectrum and long lifetime component which can be utilized in imaging applications.

  3. Catalytic photooxidation of pentachlorophenol using semiconductor nanoclusters

    Energy Technology Data Exchange (ETDEWEB)

    WILCOXON,JESS P.

    2000-04-17

    Pentachlorophenol (PCP) is a toxic chlorinated aromatic molecule widely used as fungicide, a bactericide and a wood preservation, and thus ubiquitous in the environment. The authors report photo-oxidation of PCP using a variety of nanosize semiconductor metal oxides and sulfides in both aqueous and polar organic solvents and compare the photo-oxidation kinetics of these nanoclusters to widely studied bulk powders like Degussa P-25 TiO{sub 2} and CdS. They study both the light intensity dependence of PCP photooxidation for nanosize SnO{sub 2} and the size dependence of PCP photooxidation for both nanosize SnO{sub 2} and MoS{sub 2}. They find an extremely strong size dependence for the latter which they attribute to its size-dependent band gap and the associated change in redox potentials due to quantum confinement of the hole-electron pair. The authors show that nanosize MoS{sub 2} with a diameter of d=3.0 nm and an absorbance edge of {approximately}450 nm is a very effective photooxidation catalyst for complete PCP mineralization, even when using only visible light irradiation.

  4. Fractal Electronic Circuits Assembled From Nanoclusters

    Science.gov (United States)

    Fairbanks, M. S.; McCarthy, D.; Taylor, R. P.; Brown, S. A.

    2009-07-01

    Many patterns in nature can be described using fractal geometry. The effect of this fractal character is an array of properties that can include high internal connectivity, high dispersivity, and enhanced surface area to volume ratios. These properties are often desirable in applications and, consequently, fractal geometry is increasingly employed in technologies ranging from antenna to storm barriers. In this paper, we explore the application of fractal geometry to electrical circuits, inspired by the pervasive fractal structure of neurons in the brain. We show that, under appropriate growth conditions, nanoclusters of Sb form into islands on atomically flat substrates via a process close to diffusion-limited aggregation (DLA), establishing fractal islands that will form the basis of our fractal circuits. We perform fractal analysis of the islands to determine the spatial scaling properties (characterized by the fractal dimension, D) of the proposed circuits and demonstrate how varying growth conditions can affect D. We discuss fabrication approaches for establishing electrical contact to the fractal islands. Finally, we present fractal circuit simulations, which show that the fractal character of the circuit translates into novel, non-linear conduction properties determined by the circuit's D value.

  5. Photoinduced spectral changes of photoluminescent gold nanoclusters

    Science.gov (United States)

    Matulionytė, Marija; Marcinonytė, Raminta; Rotomskis, Ričardas

    2015-05-01

    Ultrasmall photoluminescent gold nanoclusters (Au NCs), composed of several atoms with sizes up to a few nanometers, have recently stimulated extensive interest. Unique molecule-like behaviors, low toxicity, and facile synthesis make photoluminescent Au NCs a very promising alternative to organic fluorophores and semiconductor quantum dots (QDs) in broad ranges of biomedical applications. However, using gold nanoparticles (Au NPs) for bioimaging might cause their degradation under continuous excitation with UV light, which might result in toxicity. We report spectral changes of photoluminescent 2-(N-morpholino) ethanesulfonic acid (MES)-coated (Au-MES) NCs under irradiation with UV/blue light. Photoluminescent water soluble Au-MES NCs with a photoluminescence (PL) band maximum at 476 nm (λex=420 nm) were synthesized. Under irradiation with 402 nm wavelength light the size of photoluminescent Au-MES NCs decreased (λem=430 nm). Irradiating the sample solution with 330 nm wavelength light, nonluminescent Au NPs were disrupted, and photoluminescent Au NCs (λem=476 nm) were formed. Irradiation with 330 nm wavelength light did not directly affect photoluminescent Au-MES NCs, however, increase in PL intensity indicated the formation of photoluminescent Au NCs from the disrupted nonluminescent Au NPs. This study gives a good insight into the photostability of MES-coated Au NPs under continuous excitation with UV/blue light.

  6. All-thiol-stabilized Ag44 and Au12Ag32 nanoparticles with single-crystal structures.

    Science.gov (United States)

    Yang, Huayan; Wang, Yu; Huang, Huaqi; Gell, Lars; Lehtovaara, Lauri; Malola, Sami; Häkkinen, Hannu; Zheng, Nanfeng

    2013-01-01

    Noble metal nanoparticles stabilized by organic ligands are important for applications in assembly, site-specific bioconjugate labelling and sensing, drug delivery and medical therapy, molecular recognition and molecular electronics, and catalysis. Here we report crystal structures and theoretical analysis of three Ag44(SR)30 and three Au12Ag32(SR)30 intermetallic nanoclusters stabilized with fluorinated arylthiols (SR=SPhF, SPhF2 or SPhCF3). The nanocluster forms a Keplerate solid of concentric icosahedral and dodecahedral atom shells, protected by six Ag2(SR)5 units. Positive counterions in the crystal indicate a high negative charge of 4(-) per nanoparticle, and density functional theory calculations explain the stability as an 18-electron superatom shell closure in the metal core. Highly featured optical absorption spectra in the ultraviolet-visible region are analysed using time-dependent density functional perturbation theory. This work forms a basis for further understanding, engineering and controlling of stability as well as electronic and optical properties of these novel nanomaterials.

  7. Nucleation and condensation model development

    Energy Technology Data Exchange (ETDEWEB)

    Fry, H.; Lyman, J.; Breshears, D.; Zerkle, D.; Wilson, C.; Hewitt, C.; Gallegos, D.

    1996-09-01

    This is a final report of a one-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The purpose of this project was to bring to maturity a theoretical and experimental capability of the Laboratory to perform basic research in nucleation and condensation of water vapor. This report provides a general description of this capability and summarizes specific work in two areas: development and use of a combustive flow facility (CFF) to measure water monomer depletion in a supersonic nozzle and nucleation pulse experiments for investigation of transport effects on water droplet growth dynamics. The later work was performed in collaboration with Dr. Wehrner Strey in Goettingen, Germany. Preliminary water absorption data from the CFF experiment are presented. The nucleation pulse data is described along with an analysis that shows under the condition of the experiment the growth rate of water droplets is limited by monomer diffusion.

  8. Deposition and characterization of Pt nanocluster films by means of gas aggregation cluster source

    Energy Technology Data Exchange (ETDEWEB)

    Kylián, Ondřej, E-mail: ondrej.kylian@gmail.com; Prokeš, Jan; Polonskyi, Oleksandr; Čechvala, Juraj; Kousal, Jaroslav; Pešička, Josef; Hanuš, Jan; Biederman, Hynek

    2014-11-28

    In this study we report on the deposition of Pt nanocluster films prepared by gas aggregation source that was operated with argon as working gas. The aim of this study was optimization of deposition process as well as determination of properties of deposited nanocluster films and their temporal stability. It was found that the production of Pt nanoclusters reached maximum value for pressure of 100 Pa and increases monotonously with magnetron current. The deposition rate at optimized deposition conditions was 0.7 nm of the Pt nanocluster film per second. Deposited films were porous and composed of 4 nm Pt nanoclusters. The nanoclusters were metallic and no sights of their oxidation were observed after 1 year on open air as witnessed by X-ray photoelectron spectroscopy. Regarding the electrical properties, a dramatic decrease of the resistivity was observed with increasing amount of deposited nanoclusters. This decrease saturated for the films approximately 50 nm thick. Such behavior indicates transition between different mechanisms of electrical conductivity: charge hopping for thin discontinuous films and current conduction through conducting path formed when higher amount of nanoclusters is deposited. Different mechanisms of electrical conduction for thin and thick layers of Pt were confirmed by subsequent investigation of temperature dependence of resistivity. In addition, no changes in resistivity were observed after one year on open air that confirms stability of produced Pt nanocluster films. - Highlights: • Pt nanocluster films were deposited by gas aggregation nanocluster source. • Conditions leading to effective deposition of Pt nanocluster films were found. • Deposited nanocluster films have good temporal stability. • Electrical properties of Pt films were found to depend on their thickness.

  9. Nucleation and growth during recrystallization

    Directory of Open Access Journals (Sweden)

    Paulo Rangel Rios

    2005-09-01

    Full Text Available The evolution in the understanding of the recrystallization phenomena is summarized in this paper. Initially the main developments concerning recrystallization are presented from a historical perspective. Definitions and concepts involving recrystallization are presented regarding it as a solid-state reaction that occurs by nucleation and growth. The recrystallization nucleation mechanisms are subsequently discussed. Finally, the growth step is highlighted, emphasizing boundary and sub-boundary mobilities and the forces acting on the high angle grain boundaries that sweep the microstructure during recrystallization.

  10. Nucleation and cavitation in parahydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Pi, Marti, E-mail: marti@ecm.ub.es [Departament ECM, Facultat de Fisica, and IN2UB, Universitat de Barcelona, Diagonal 647, 08028 Barcelona (Spain); Barranco, Manuel [Departament ECM, Facultat de Fisica, and IN2UB, Universitat de Barcelona, Diagonal 647, 08028 Barcelona (Spain); Navarro, Jesus [IFIC (CSIC University of Valencia) Apartado 22085, 46071 Valencia (Spain); Ancilotto, Francesco [Dipartimento di Fisica ' G. Galilei' , Universita di Padova, via Marzolo 8, I-35131 Padova (Italy); CNR-IOM-Democritos, I-34014 Trieste (Italy)

    2012-05-03

    Highlights: Black-Right-Pointing-Pointer We have constructed a density functional (DF) for parahydrogen between 14 and 32 K. Black-Right-Pointing-Pointer The experimental equation of state and the surface tension are well reproduced. Black-Right-Pointing-Pointer We have investigated nucleation and cavitations processes in the metastable phase. Black-Right-Pointing-Pointer We have obtained the electron bubble explosion within the capillary model. - Abstract: We have used a density functional approach to investigate thermal homogeneous nucleation and cavitation in parahydrogen. The effect of electrons as seeds of heterogeneous cavitation in liquid parahydrogen is also discussed within the capillary model.

  11. Summary of in situ epitaxial nucleation and growth measurements. [for semiconducting single crystal PbSe films

    Science.gov (United States)

    Poppa, H.; Moorhead, R. D.; Heinemann, K.

    1974-01-01

    In situ nucleation and growth measurements of Ag and Au on single-crystal PbSe thin films were made using a transmission electron microscope. Properties studied were polymorphism, crystalline perfection, and the stoichiometric composition of the initial and the autoepitaxially thickened PbSe substrates. The quantitative nucleation and cluster growth measurements were limited to low-saturation conditions. The epitaxial orientations are discussed, and evidence is presented as to the stage of deposition at which the epitaxial order for Ag is introduced. Strong substrate/overgrowth interaction manifested itself by alloying and interdiffusion.

  12. PHOTOOXIDATION OF ORGANIC WASTES USING SEMICONDUCTOR NANOCLUSTERS

    Energy Technology Data Exchange (ETDEWEB)

    Wilcoxon, Jess P.

    2000-12-31

    It would be a major boon to have a visible light absorbing semiconductor catalytic material available, which is also photostable and non-toxic. Such a photocatalyst would make it possible to exploit sunlight as the sole energy source required for detoxification. To this end we have employed our expertise in nanocluster synthesis and processing to make and purify nanoparticles of MoS2. The band-gap and absorbance edges of these nanoparticles can be adjusted by particle size based upon the quantum confinement of the electron-hole pair. In a recent paper we demonstrated the use of these new photocatalysts to destroy phenol, and demonstrated a strong effect of size or band-gap on the rate of photo-oxidation.5 In this research we investigate the photooxidation kinetics and products formed for a standard material, Degussa P-25 TiO2, as compared to nanosize TiO2, SnO2, and MoS2. We examined the light intensity dependence for nanosize SnO2 compared to TiO2 (Degussa), and the effect o f size on photooxidation kinetics for both SnO2 and MoS2. We studied photooxidation in aqueous systems and, for the first time, a system consisting almost entirely of a polar organic, acetonitrile. Our primary objective was to develop an entirely new class of material: nanosize semiconductors with visible bandgaps and to engineer these material's properties to allow us to photooxidize toxic organic compounds in water on a reasonable time scale ({approx}8 hrs). A second objective was to study how certain material properties such as size, surface treatment, and material type affect the efficiency of the photocatalytic process as well as optimizing these features.

  13. On the formation of copper nanoparticles in nanocluster aggregation source

    NARCIS (Netherlands)

    Dutka, Mikhail V.; Turkin, Anatoliy A.; Vainchtein, David I.; De Hosson, Jeff Th. M.

    2015-01-01

    The influence of pressure and type of inert gas (Ar and Kr) on the morphology and size distribution of nanoparticles produced in a nanocluster source is studied experimentally. The experimental data are used to validate the model of cluster formation from a supersaturated atomic vapor in an inert bu

  14. Ice Nucleation Properties of Oxidized Carbon Nanomaterials.

    Science.gov (United States)

    Whale, Thomas F; Rosillo-Lopez, Martin; Murray, Benjamin J; Salzmann, Christoph G

    2015-08-01

    Heterogeneous ice nucleation is an important process in many fields, particularly atmospheric science, but is still poorly understood. All known inorganic ice nucleating particles are relatively large in size and tend to be hydrophilic. Hence it is not obvious that carbon nanomaterials should nucleate ice. However, in this paper we show that four different readily water-dispersible carbon nanomaterials are capable of nucleating ice. The tested materials were carboxylated graphene nanoflakes, graphene oxide, oxidized single walled carbon nanotubes and oxidized multiwalled carbon nanotubes. The carboxylated graphene nanoflakes have a diameter of ∼30 nm and are among the smallest entities observed so far to nucleate ice. Overall, carbon nanotubes were found to nucleate ice more efficiently than flat graphene species, and less oxidized materials nucleated ice more efficiently than more oxidized species. These well-defined carbon nanomaterials may pave the way to bridging the gap between experimental and computational studies of ice nucleation. PMID:26267196

  15. Application of Mass Spectrometry in the Synthesis and Characterization of Metal Nanoclusters.

    Science.gov (United States)

    Lu, Yizhong; Chen, Wei

    2015-11-01

    In recent years, mass spectrometry has been widely used in the characterization of metal nanoclusters. In this Feature, we first give an introductory tutorial on mass spectrometry and then highlight the versatile applications of mass spectrometry in accurately analyzing core size, atom-level composition, charge states, etc. of metal nanoclusters and size evolution during synthesis. Finally, some perspectives on the future applications of mass spectrometry in nanocluster research are given. PMID:26086315

  16. One-step facile synthesis of Pd nanoclusters supported on carbon and their electrochemical property

    OpenAIRE

    Junjun Shi; Xiulan Hu; Jianbo Zhang; Weiping Tang; Hongtao Li; Xiaodong Shen; Nagahiro Saito

    2014-01-01

    Well-crystallized Pd nanoclusters supported on Ketjen Black (KB) were successfully fabricated when Pd wires were served as an electrode pair by a solution plasma technique at atmospheric pressure. The synthesis of Pd nanoclusters was almost simultaneous with their dispersion on KB. Pd nanoclusters with the average diameter of about 2 nm were equably distributed on KB, and showed good electrochemical property corresponding to their obvious characteristic peaks. Multi-scan cyclic voltammetry an...

  17. Hydrophilic magnetic nanoclusters with thermo-responsive properties and their drug controlled release

    International Nuclear Information System (INIS)

    Synthesis and drug controlled release properties of thermo-responsive magnetic nanoclusters grafted with poly(N-isopropylacrylamide) (poly(NIPAAm)) and poly(NIPAAm-co-poly(ethylene glycol) methyl ether methacrylate) (PEGMA) copolymers were described. These magnetic nanoclusters were synthesized via an in situ radical polymerization in the presence of acrylamide-grafted magnetic nanoparticles (MNPs). Poly(NIPAAm) provided thermo-responsive properties, while PEGMA played a role in good water dispersibility to the nanoclusters. The ratios of PEGMA to NIPAAm in the (co)polymerization in the presence of the MNPs were fine-tuned such that the nanoclusters with good water dispersibility, good magnetic sensitivity and thermo responsiveness were obtained. The size of the nanoclusters was in the range of 50–100 nm in diameter with about 100–200 particles/cluster. The nanoclusters were well dispersible in water at room temperature and can be suddenly agglomerated when temperature was increased beyond the lower critical solution temperature (LCST) (32 °C). The release behavior of an indomethacin model drug from the nanoclusters was also investigated. These novel magnetic nanoclusters with good dispersibility in water and reversible thermo-responsive properties might be good candidates for the targeting drug controlled release applications. - Highlights: • Nanoclusters with good water dispersibility and magnetic response were prepared. • They were grafted with thermo-responsive poly(NIPAAm) and/or poly(PEGMA). • Poly(NIPAAm) provided thermo-responsive properties to the nanoclusters. • Poly(PEGMA) provided good water dispersibilityto the nanoclusters. • Accelerated and controllable releases of a drug from the nanoclusters were shown

  18. Hydrophilic magnetic nanoclusters with thermo-responsive properties and their drug controlled release

    Energy Technology Data Exchange (ETDEWEB)

    Meerod, Siraprapa [Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Naresuan University, Phitsanulok 65000 (Thailand); Rutnakornpituk, Boonjira; Wichai, Uthai [Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Naresuan University, Phitsanulok 65000 (Thailand); Center of Excellence in Biomaterials, Faculty of Science, Naresuan University, Phitsanulok 65000 Thailand (Thailand); Rutnakornpituk, Metha, E-mail: methar@nu.ac.th [Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Naresuan University, Phitsanulok 65000 (Thailand); Center of Excellence in Biomaterials, Faculty of Science, Naresuan University, Phitsanulok 65000 Thailand (Thailand)

    2015-10-15

    Synthesis and drug controlled release properties of thermo-responsive magnetic nanoclusters grafted with poly(N-isopropylacrylamide) (poly(NIPAAm)) and poly(NIPAAm-co-poly(ethylene glycol) methyl ether methacrylate) (PEGMA) copolymers were described. These magnetic nanoclusters were synthesized via an in situ radical polymerization in the presence of acrylamide-grafted magnetic nanoparticles (MNPs). Poly(NIPAAm) provided thermo-responsive properties, while PEGMA played a role in good water dispersibility to the nanoclusters. The ratios of PEGMA to NIPAAm in the (co)polymerization in the presence of the MNPs were fine-tuned such that the nanoclusters with good water dispersibility, good magnetic sensitivity and thermo responsiveness were obtained. The size of the nanoclusters was in the range of 50–100 nm in diameter with about 100–200 particles/cluster. The nanoclusters were well dispersible in water at room temperature and can be suddenly agglomerated when temperature was increased beyond the lower critical solution temperature (LCST) (32 °C). The release behavior of an indomethacin model drug from the nanoclusters was also investigated. These novel magnetic nanoclusters with good dispersibility in water and reversible thermo-responsive properties might be good candidates for the targeting drug controlled release applications. - Highlights: • Nanoclusters with good water dispersibility and magnetic response were prepared. • They were grafted with thermo-responsive poly(NIPAAm) and/or poly(PEGMA). • Poly(NIPAAm) provided thermo-responsive properties to the nanoclusters. • Poly(PEGMA) provided good water dispersibilityto the nanoclusters. • Accelerated and controllable releases of a drug from the nanoclusters were shown.

  19. Ice nucleation properties of mineral dusts

    OpenAIRE

    Steinke, Isabelle

    2013-01-01

    Ice nucleation in clouds has a significant impact on the global hydrological cycle as well as on the radiative budget of the Earth. The AIDA cloud chamber was used to investigate the ice nucleation efficiency of various atmospherically relevant mineral dusts. From experiments with Arizona Test Dust (ATD) a humidity and temperature dependent ice nucleation active surface site density parameterization was developed to describe deposition nucleation at temperatures above 220 K. Based...

  20. Signal integration by lipid-mediated spatial cross talk between Ras nanoclusters.

    Science.gov (United States)

    Zhou, Yong; Liang, Hong; Rodkey, Travis; Ariotti, Nicholas; Parton, Robert G; Hancock, John F

    2014-03-01

    Lipid-anchored Ras GTPases form transient, spatially segregated nanoclusters on the plasma membrane that are essential for high-fidelity signal transmission. The lipid composition of Ras nanoclusters, however, has not previously been investigated. High-resolution spatial mapping shows that different Ras nanoclusters have distinct lipid compositions, indicating that Ras proteins engage in isoform-selective lipid sorting and accounting for different signal outputs from different Ras isoforms. Phosphatidylserine is a common constituent of all Ras nanoclusters but is only an obligate structural component of K-Ras nanoclusters. Segregation of K-Ras and H-Ras into spatially and compositionally distinct lipid assemblies is exquisitely sensitive to plasma membrane phosphatidylserine levels. Phosphatidylserine spatial organization is also modified by Ras nanocluster formation. In consequence, Ras nanoclusters engage in remote lipid-mediated communication, whereby activated H-Ras disrupts the assembly and operation of spatially segregated K-Ras nanoclusters. Computational modeling and experimentation reveal that complex effects of caveolin and cortical actin on Ras nanoclustering are similarly mediated through regulation of phosphatidylserine spatiotemporal dynamics. We conclude that phosphatidylserine maintains the lateral segregation of diverse lipid-based assemblies on the plasma membrane and that lateral connectivity between spatially remote lipid assemblies offers important previously unexplored opportunities for signal integration and signal processing.

  1. Nano-clustered Pd catalysts formed on GaN surface for green chemistry

    Science.gov (United States)

    Hirayama, Motoi; Ueta, Yukiko; Konishi, Tomoya; Tsukamoto, Shiro

    2011-05-01

    We have succeeded in observing Pd nano-clusters, catalytic prime elements, on a GaN(0 0 0 1) surface by a scanning tunneling microscope for the first time. After the sample was reused, we found that nano-clusters (width: 11 nm, height: 2.2 nm) existed on the surface which still kept the catalytic activity, resulting that the neutral Pd atoms formed the nano-cluster. Moreover, the S-termination contributed to the formation of the dense and flat structure consisting of the Pd nano-clusters.

  2. Ab Initio Assessment of the Structural and Optoelectronic Properties of Organic-ZnO Nanoclusters.

    Science.gov (United States)

    Kumar, Pushpendra; Pal, Suman Kalyan

    2015-10-01

    Structural, electronic, and optical properties of a new coumarin dye, zinc oxide (ZnO) nanoclusters of varying sizes, and their complexes have been investigated using density functional theory (DFT). The band gap of oxide nanoclusters varies with size validating quantum confinement effect in small particles. Energy level diagrams of dye, ZnO nanoclusters, and redox electrolyte are in favor of efficient electron injection from dye to nanocluster and regeneration of the ionized dye. The adsorption of the organic dye to nanocluster is tested for anchoring through three different functional groups (cyano, carbonyl, and hydroxyl) of the dye. We have compared simulated absorption spectra of the dye, nanoclusters, and dye functionalized nanoclusters and discussed the matching with the solar irradiance spectrum. A strong new band appeared in the low energy side of the absorption spectra for dye adsorbed nanoclusters. Frontier molecular orbital calculations reveal that the first absorption band of dye-ZnO complexes is charge transfer (CT) in character. Excitation of this band leads to direct electron transfer to the conduction band (CB) of the nanocluster, making dye-ZnO complexes suitable for type II DSSCs as well. PMID:26348781

  3. Ge nanoclusters in PECVD-deposited glass after heat treating and electron irradiation

    DEFF Research Database (Denmark)

    Ou, Haiyan; Rørdam, Troels Peter; Rottwitt, Karsten;

    2007-01-01

    This paper reports the formation of Ge nanoclusters in silica glass thin films deposited by plasma-enhanced chemical vapor deposition (PECVD). We studied the samples by transmission electron microscopy (TEM) and Raman spectroscopy after annealing. TEM investigation shows that the Ge nanoclusters at...... two areaswere formed by different mechanisms. The Ge nanoclusters formed in a single row along the interface of a silicon substrate and the silica glass film by annealing during high-temperature heat treatment. Ge nanoclusters did not initially form in the bulk of the film but could be subsequently...

  4. MOLECULAR DYNAMICS SIMULATION OF STRUCTURE STABILITY OF SILVER NANOCLUSTERS

    Institute of Scientific and Technical Information of China (English)

    W.H. Qi

    2006-01-01

    The structures of Ag clusters with sizes n=13 to 1157 are studied by tight binding molecular dynamics simulation. It is found that the stable structures of Ag clusters follow the sequence amorphous-crystalline-amorphous-crystalline with the cluster size increasing from 13 to 1157.Furthermore, all the shells of Ag clusters are different from the structure of the corresponding bulk Ag.

  5. Human serum albumin-stabilized gold nanoclusters act as an electron transfer bridge supporting specific electrocatalysis of bilirubin useful for biosensing applications.

    Science.gov (United States)

    Santhosh, Mallesh; Chinnadayyala, Somasekhar R; Singh, Naveen K; Goswami, Pranab

    2016-10-01

    Human serum albumin (HSA)-stabilized Au18 nanoclusters (AuNCs) were synthesized and chemically immobilized on an Indium tin oxide (ITO) plate. The assembly process was characterized by advanced electrochemical and spectroscopic techniques. The bare ITO electrode generated three irreversible oxidation peaks, whereas the HSA-AuNC-modified electrode produced a pair of redox peaks for bilirubin at a formal potential of 0.27V (vs. Ag/AgCl). However, the native HSA protein immobilized on the ITO electrode failed to produce any redox peak for bilirubin. The results indicate that the AuNCs present in HSA act as electron transfer bridge between bilirubin and the ITO plate. Docking studies of AuNC with HSA revealed that the best docked structure of the nanocluster is located around the vicinity of the bilirubin binding site, with an orientation that allows specific oxidation. When the HSA-AuNC-modified electrode was employed for the detection of bilirubin using chronoamperometry at 0.3V (vs. Ag/AgCl), a steady-state current response against bilirubin in the range of 0.2μM to 7μM, with a sensitivity of 0.34μAμM(-1) and limit of detection of 86.32nM at S/N 3, was obtained. The bioelectrode was successfully applied to measure the bilirubin content in spiked serum samples. The results indicate the feasibility of using HSA-AuNC as a biorecognition element for the detection of serum bilirubin levels using an electrochemical technique. PMID:27126550

  6. Oxygen reduction catalyzed by gold nanoclusters supported on carbon nanosheets

    Science.gov (United States)

    Wang, Qiannan; Wang, Likai; Tang, Zhenghua; Wang, Fucai; Yan, Wei; Yang, Hongyu; Zhou, Weijia; Li, Ligui; Kang, Xiongwu; Chen, Shaowei

    2016-03-01

    Nanocomposites based on p-mercaptobenzoic acid-functionalized gold nanoclusters, Au102(p-MBA)44, and porous carbon nanosheets have been fabricated and employed as highly efficient electrocatalysts for oxygen reduction reaction (ORR). Au102(p-MBA)44 clusters were synthesized via a wet chemical approach, and loaded onto carbon nanosheets. Pyrolysis at elevated temperatures led to effective removal of the thiolate ligands and the formation of uniform nanoparticles supported on the carbon scaffolds. The nanocomposite structures were characterized by using a wide range of experimental techniques such as transmission electron microscopy, scanning electron microscopy, X-ray photoelectron spectroscopy, X-ray diffraction, UV-visible absorption spectroscopy, thermogravimetric analysis and BET nitrogen adsorption/desorption. Electrochemical studies showed that the composites demonstrated apparent ORR activity in alkaline media, and the sample with a 30% Au mass loading was identified as the best catalyst among the series, with a performance comparable to that of commercial Pt/C, but superior to those of Au102 nanoclusters and carbon nanosheets alone, within the context of onset potential, kinetic current density, and durability. The results suggest an effective approach to the preparation of high-performance ORR catalysts based on gold nanoclusters supported on carbon nanosheets.Nanocomposites based on p-mercaptobenzoic acid-functionalized gold nanoclusters, Au102(p-MBA)44, and porous carbon nanosheets have been fabricated and employed as highly efficient electrocatalysts for oxygen reduction reaction (ORR). Au102(p-MBA)44 clusters were synthesized via a wet chemical approach, and loaded onto carbon nanosheets. Pyrolysis at elevated temperatures led to effective removal of the thiolate ligands and the formation of uniform nanoparticles supported on the carbon scaffolds. The nanocomposite structures were characterized by using a wide range of experimental techniques such as

  7. Adsorption of Ag on Ge(100)-(2 x 1)

    Energy Technology Data Exchange (ETDEWEB)

    Miller, T.; Rosenwinkel, E.; Chiang, T.C.

    1984-01-01

    The initial stages of interface formation of Ag deposited onto Ge(100)-(2 x 1) were studied with high-energy electron diffraction and high-resolution photoemission. The surface core-level energies for clean Ge(100)-(2 x 1) were not changed with the deposition of about one monolayer of Ag, indicating that there was no chemical reaction or atomic intermixing. The Ag nucleated at a coverage of about 1/3 monolayer and showed three-dimensional growth for higher coverages. 13 references, 3 figures.

  8. A simple ice nucleation spectrometer.

    Science.gov (United States)

    Wharton, David A; Mutch, Jodi S; Wilson, Peter W; Marshall, Craig J; Lim, Miang

    2004-01-01

    The construction of a simple ice nucleation spectrometer is described. It uses 10 microliter droplets loaded into glass capillary tubes which are then inserted into an aluminium holder. Each holder takes six capillary tubes surrounding a central thermocouple. Four holders are placed into a cooling block, cooled by fluid from a programmable refrigerated circulator, and the thermocouples interfaced to a computer to record temperatures. Freezing of each sample is detected by an exotherm on the temperature recording, with 24 samples recorded per run. The spectrometer was tested using deionized water, an extract from a New Zealand alpine cockroach and an extract of lawn grass. The cockroach extract is estimated to contain about 10(3) more nucleators, active at -5 degrees C, than the grass extract. PMID:15618985

  9. Grain boundary diffusion of Fe in ultrafine-grained nanocluster-strengthened ferritic steel

    International Nuclear Information System (INIS)

    Grain boundary diffusion of Fe in nanocluster-strengthened ferritic steel (Fe-14Cr-3W-0.4Ti-0.25Y2O3 in wt.%) has been investigated. The steel was produced by mechanical alloying followed by hot extrusion. The final grain size was ∼200 nm. The diffusivity of Fe was measured within the temperature range 423-820 K. The grain boundary penetration at lower temperatures revealed a specific time dependence, which indicates a residual interconnected porosity in the ferritic steel. In order to quantify the percolating porosity, conventional radiotracer (59Fe) diffusion measurements were combined with a study of room temperature penetration of liquid 110mAg solution to distinguish between solid-state diffusion along boundaries and penetration along the surface of interconnected cavities. The presence of porosity affected the diffusion process, introducing a hierarchy of internal interfaces. The grain boundary diffusion coefficient and the diffusivity along internal surfaces were determined in the so-called type C-C, C-B and B-B kinetic regimes of interface diffusion in a hierarchical microstructure. Using the residual activity method and a 65Zn tracer, the volume fraction of the percolating porosity was estimated to be 0.6%.

  10. Rational Design of Biomolecular Templates for Synthesizing Multifunctional Noble Metal Nanoclusters toward Personalized Theranostic Applications.

    Science.gov (United States)

    Yu, Yong; Mok, Beverly Y L; Loh, Xian Jun; Tan, Yen Nee

    2016-08-01

    Biomolecule-templated or biotemplated metal nanoclusters (NCs) are ultrasmall (<2 nm) metal (Au, Ag) particles stabilized by a certain type of biomolecular template (e.g., peptides, proteins, and DNA). Due to their unique physiochemical properties, biotemplated metal NCs have been widely used in sensing, imaging, delivery and therapy. The overwhelming applications in these individual areas imply the great promise of harnessing biotemplated metal NCs in more advanced biomedical aspects such as theranostics. Although applications of biotemplated metal NCs as theranostic agents are trending, the rational design of biomolecular templates suitable for the synthesis of multifunctional metal NCs for theranostics is comparatively underexplored. This progress report first identifies the essential attributes of biotemplated metal NCs for theranostics by reviewing the state-of-art applications in each of the four modalities of theranostics, namely sensing, imaging, delivery and therapy. To achieve high efficacy in these modalities, we elucidate the design principles underlying the use of biomolecules (proteins, peptides and nucleic acids) to control the NC size, emission color and surface chemistries for post-functionalization of therapeutic moieties. We then propose a unified strategy to engineer biomolecular templates that combine all these modalities to produce multifunctional biotemplated metal NCs that can serve as the next-generation personalized theranostic agents.

  11. Binary nucleation beyond capillarity approximation

    OpenAIRE

    Kalikmanov, V.I.

    2010-01-01

    Large discrepancies between binary classical nucleation theory (BCNT) and experiments result from adsorption effects and inability of BCNT, based on the phenomenological capillarity approximation, to treat small clusters. We propose a model aimed at eliminating both of these deficiencies. Adsorption is taken into account within Gibbsian approximation. Binary clusters are treated by means of statistical-mechanical considerations: tracing out the molecular degrees of freedom of the more volatil...

  12. Ice nucleation activity of polysaccharides

    Science.gov (United States)

    Bichler, Magdalena; Felgitsch, Laura; Haeusler, Thomas; Seidl-Seiboth, Verena; Grothe, Hinrich

    2015-04-01

    Heterogeneous ice nucleation is an important process in the atmosphere. It shows direct impact on our climate by triggering ice cloud formation and therefore it has much influence on the radiation balance of our planet (Lohmann et al. 2002; Mishchenko et al. 1996). The process itself is not completely understood so far and many questions remain open. Different substances have been found to exhibit ice nucleation activity (INA). Due to their vast differences in chemistry and morphology it is difficult to predict what substance will make good ice nuclei and which will not. Hence simple model substances must be found and be tested regarding INA. Our work aims at gaining to a deeper understanding of heterogeneous ice nucleation. We intend to find some reference standards with defined chemistry, which may explain the mechanisms of heterogeneous ice nucleation. A particular focus lies on biological carbohydrates in regards to their INA. Biological carbohydrates are widely distributed in all kingdoms of life. Mostly they are specific for certain organisms and have well defined purposes, e.g. structural polysaccharides like chitin (in fungi and insects) and pectin (in plants), which has also water-binding properties. Since they are widely distributed throughout our biosphere and mostly safe to use for nutrition purposes, they are well studied and easily accessible, rendering them ideal candidates as proxies. In our experiments we examined various carbohydrates, like the already mentioned chitin and pectin, as well as their chemical modifications. Lohmann U.; A Glaciation Indirect Aerosol Effect Caused by Soot Aerosols; J. Geoph. Res.; Vol. 24 No.4; pp 11-1 - 11-4; 2002 Mishchenko M.I., Rossow W.B., Macke A., Lacis A. A.; Sensitivity of Cirrus Cloud Albedo, Bidirectional Reflectance and Optical Thickness Retrieval Accuracy to Ice Particle Shape, J. Geoph. Res.; Vol. 101, No D12; pp. 16,973 - 16,985; 1996

  13. Size-dependent structure of CdSe nanoclusters formed after ion implantation in MgO

    NARCIS (Netherlands)

    van Huis, MA; van Veen, A; Schut, H; Eijt, SWH; Kooi, BJ; De Hosson, JTM

    2005-01-01

    The band gap as well as the optical and structural properties of semiconductor CdSe nanoclusters change as a function of the nanocluster size. Embedded CdSe nanoclusters in MgO were created by means of sequential Cd and Se ion implantation followed by thermal annealing. Changes during annealing were

  14. Shape and scale dependent diffusivity of colloidal nanoclusters and aggregates

    Science.gov (United States)

    Alcanzare, M. M. T.; Ollila, S. T. T.; Thakore, V.; Laganapan, A. M.; Videcoq, A.; Cerbelaud, M.; Ferrando, R.; Ala-Nissila, T.

    2016-07-01

    The diffusion of colloidal nanoparticles and nanomolecular aggregates, which plays an important role in various biophysical and physicochemical phenomena, is currently under intense study. Here, we examine the shape and size dependent diffusion of colloidal nano- particles, fused nanoclusters and nanoaggregates using a hybrid fluctuating lattice Boltzmann-Molecular Dynamics method. We use physically realistic parameters characteristic of an aqueous solution, with explicitly implemented microscopic no-slip and full-slip boundary conditions. Results from nanocolloids below 10 nm in radii demonstrate how the volume fraction of the hydrodynamic boundary layer influences diffusivities. Full-slip colloids are found to diffuse faster than no-slip particles. We also characterize the shape dependent anisotropy of the diffusion coefficients of nanoclusters through the Green-Kubo relation. Finally, we study the size dependence of the diffusion of nanoaggregates comprising N ≤ 108 monomers and demonstrate that the diffusion coefficient approaches the continuum scaling limit of N-1/3.

  15. Theory of Nanocluster Size Distributions from Ion Beam Synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, C.W.; Yi, D.O.; Sharp, I.D.; Shin, S.J.; Liao, C.Y.; Guzman, J.; Ager III, J.W.; Haller, E.E.; Chrzan, D.C.

    2008-06-13

    Ion beam synthesis of nanoclusters is studied via both kinetic Monte Carlo simulations and the self-consistent mean-field solution to a set of coupled rate equations. Both approaches predict the existence of a steady state shape for the cluster size distribution that depends only on a characteristic length determined by the ratio of the effective diffusion coefficient to the ion flux. The average cluster size in the steady state regime is determined by the implanted species/matrix interface energy.

  16. Mass Spectrometric Analysis of Water-soluble Gold Nanoclusters

    International Nuclear Information System (INIS)

    Batches of water-soluble gold nanoclusters of nominal 2.0 or 3.5-nm diameter were prepared to evaluate particle size determinations by a number of techniques such as transmission electron microscopy or atomic force microscopy and to validate estimates derived by mass spectrometric analysis using matrix-assisted laser desorption ionization (MALDI). Good agreement was found and MALDI lends itself to analyses even in the presence of aggregates

  17. Ag-DNA Emitter: Metal Nanorod or Supramolecular Complex?

    Science.gov (United States)

    Ramazanov, Ruslan R; Sych, Tomash S; Reveguk, Zakhar V; Maksimov, Dmitriy A; Vdovichev, Artem A; Kononov, Alexei I

    2016-09-15

    Ligand-stabilized luminescent metal clusters, in particular, DNA-based Ag clusters, are now employed in a host of applications such as sensing and bioimaging. Despite their utility, the nature of their excited states as well as detailed structures of the luminescent metal-ligand complexes remain poorly understood. We apply a new joint experimental and theoretical approach based on QM/MM-MD simulations of the fluorescence excitation spectra for three Ag clusters synthesized on a 12-mer DNA. Contrary to a previously proposed "rod-like" model, our results show that (1) three to four Ag atoms suffice to form a partially oxidized nanocluster emitting in visible range; (2) charge transfer from Ag cluster to DNA contributes to the excited states of the complexes; and (3) excitation spectra of the clusters are strongly affected by the bonding of Ag atoms to DNA bases. The presented approach can also provide a practical way to determine the structure and properties of other luminescent metal clusters. PMID:27564452

  18. Chiral Antioxidant-based Gold Nanoclusters Reprogram DNA Epigenetic Patterns.

    Science.gov (United States)

    Ma, Yue; Fu, Hualin; Zhang, Chunlei; Cheng, Shangli; Gao, Jie; Wang, Zhen; Jin, Weilin; Conde, João; Cui, Daxiang

    2016-01-01

    Epigenetic modifications sit 'on top of' the genome and influence DNA transcription, which can force a significant impact on cellular behavior and phenotype and, consequently human development and disease. Conventional methods for evaluating epigenetic modifications have inherent limitations and, hence, new methods based on nanoscale devices are needed. Here, we found that antioxidant (glutathione) chiral gold nanoclusters induce a decrease of 5-hydroxymethylcytosine (5hmC), which is an important epigenetic marker that associates with gene transcription regulation. This epigenetic change was triggered partially through ROS activation and oxidation generated by the treatment with glutathione chiral gold nanoclusters, which may inhibit the activity of TET proteins catalyzing the conversion of 5-methylcytosine (5mC) to 5hmC. In addition, these chiral gold nanoclusters can downregulate TET1 and TET2 mRNA expression. Alteration of TET-5hmC signaling will then affect several downstream targets and be involved in many aspects of cell behavior. We demonstrate for the first time that antioxidant-based chiral gold nanomaterials have a direct effect on epigenetic process of TET-5hmC pathways and reveal critical DNA demethylation patterns. PMID:27633378

  19. Atomically Precise Colloidal Metal Nanoclusters and Nanoparticles: Fundamentals and Opportunities.

    Science.gov (United States)

    Jin, Rongchao; Zeng, Chenjie; Zhou, Meng; Chen, Yuxiang

    2016-09-28

    Colloidal nanoparticles are being intensely pursued in current nanoscience research. Nanochemists are often frustrated by the well-known fact that no two nanoparticles are the same, which precludes the deep understanding of many fundamental properties of colloidal nanoparticles in which the total structures (core plus surface) must be known. Therefore, controlling nanoparticles with atomic precision and solving their total structures have long been major dreams for nanochemists. Recently, these goals are partially fulfilled in the case of gold nanoparticles, at least in the ultrasmall size regime (1-3 nm in diameter, often called nanoclusters). This review summarizes the major progress in the field, including the principles that permit atomically precise synthesis, new types of atomic structures, and unique physical and chemical properties of atomically precise nanoparticles, as well as exciting opportunities for nanochemists to understand very fundamental science of colloidal nanoparticles (such as the stability, metal-ligand interfacial bonding, ligand assembly on particle surfaces, aesthetic structural patterns, periodicities, and emergence of the metallic state) and to develop a range of potential applications such as in catalysis, biomedicine, sensing, imaging, optics, and energy conversion. Although most of the research activity currently focuses on thiolate-protected gold nanoclusters, important progress has also been achieved in other ligand-protected gold, silver, and bimetal (or alloy) nanoclusters. All of these types of unique nanoparticles will bring unprecedented opportunities, not only in understanding the fundamental questions of nanoparticles but also in opening up new horizons for scientific studies of nanoparticles. PMID:27585252

  20. Chiral Antioxidant-based Gold Nanoclusters Reprogram DNA Epigenetic Patterns

    Science.gov (United States)

    Ma, Yue; Fu, Hualin; Zhang, Chunlei; Cheng, Shangli; Gao, Jie; Wang, Zhen; Jin, Weilin; Conde, João; Cui, Daxiang

    2016-01-01

    Epigenetic modifications sit ‘on top of’ the genome and influence DNA transcription, which can force a significant impact on cellular behavior and phenotype and, consequently human development and disease. Conventional methods for evaluating epigenetic modifications have inherent limitations and, hence, new methods based on nanoscale devices are needed. Here, we found that antioxidant (glutathione) chiral gold nanoclusters induce a decrease of 5-hydroxymethylcytosine (5hmC), which is an important epigenetic marker that associates with gene transcription regulation. This epigenetic change was triggered partially through ROS activation and oxidation generated by the treatment with glutathione chiral gold nanoclusters, which may inhibit the activity of TET proteins catalyzing the conversion of 5-methylcytosine (5mC) to 5hmC. In addition, these chiral gold nanoclusters can downregulate TET1 and TET2 mRNA expression. Alteration of TET-5hmC signaling will then affect several downstream targets and be involved in many aspects of cell behavior. We demonstrate for the first time that antioxidant-based chiral gold nanomaterials have a direct effect on epigenetic process of TET-5hmC pathways and reveal critical DNA demethylation patterns. PMID:27633378

  1. Communication: Kinetics of scavenging of small, nucleating clusters: First nucleation theorem and sum rules

    International Nuclear Information System (INIS)

    Despite recent advances in monitoring nucleation from a vapor at close-to-molecular resolution, the identity of the critical cluster, forming the bottleneck for the nucleation process, remains elusive. During past twenty years, the first nucleation theorem has been often used to extract the size of the critical cluster from nucleation rate measurements. However, derivations of the first nucleation theorem invoke certain questionable assumptions that may fail, e.g., in the case of atmospheric new particle formation, including absence of subcritical cluster losses and heterogeneous nucleation on pre-existing nanoparticles. Here we extend the kinetic derivation of the first nucleation theorem to give a general framework to include such processes, yielding sum rules connecting the size dependent particle formation and loss rates to the corresponding loss-free nucleation rate and the apparent critical size from a naïve application of the first nucleation theorem that neglects them

  2. Flourescent Peptide-Stabilized Silver-Nanoclusters

    DEFF Research Database (Denmark)

    Gregersen, Simon

    for instance small molecules, DNA oligomers, and proteins. Peptides are an intriguing class of biomolecular ligands, due to the large combinatorial space these provide. Furthermore, as peptides have a propensity to fold up into well-defined and somewhat rigid secondary structures, they may serve as excellent...... throughput dramatically with regards to discovery of novel ligands. Our approach employs Fmoc solid-phase peptide synthesis on a PEGA resin which allows for on-resin screening of peptide ligands which, in turn, removes the tedious and labor-intensive work-up of synthesized peptides. The method allows for on......-resin formation of peptide-stabilized Ag-NCs in a reversible manner, which makes identification of novel lead compound from combinatorial peptide libraries possible with a few simple steps. This resulted in the discovery of at least one promising candidate (P262) showing brighter emission, spectral homogeneity...

  3. Nucleation and growth of noble metals on transition-metal di-tellurides

    Science.gov (United States)

    Hla, S. W.; Marinković, V.; Prodan, A.

    1997-04-01

    Transition-metal di-tellurides (α- and β-MoTe 2 and WTe 2) were used as substrates for nucleation and growth studies of noble metals. They represent a group of chemically closely related compounds with different surface topographies. Nucleation and growth of Ag and Au at room temperature were studied by means of UHV-STM, AFM and TEM. The results revealed that the growth and orientation of these metals are influenced by the topography of the substrate surfaces. Contrary to the growth on atomically flat α-MoTe 2, there is an enhanced diffusion and nucleation along the periodic surface troughs on β-MoTe 2 and WTe 2. The topography of their (001) surfaces is responsible for the orientation of metal (112) planes being parallel to the substrate surface.)

  4. Controlling embedment and surface chemistry of nanoclusters in metal-organic frameworks.

    Science.gov (United States)

    Coupry, D E; Butson, J; Petkov, P S; Saunders, M; O'Donnell, K; Kim, H; Buckley, C; Addicoat, M; Heine, T; Szilágyi, P Á

    2016-04-14

    A combined theoretical and experimental approach demonstrates that nanocluster embedment into the pores of metal-organic frameworks (MOF) may be influenced by the chemical functionalisation of the MOF. Furthermore, this results in the surface functionalisation of the embedded nanoclusters, highlighting the potential of MOF scaffolds for the design and synthesis of novel functional materials.

  5. Evidence of energy transfer from tryptophan to BSA/HSA protected gold nanoclusters

    International Nuclear Information System (INIS)

    This work reports on the chromophores interactions within protein-protected gold nanoclusters. We conducted spectroscopic studies of fluorescence emissions originated from gold nanoclusters and intrinsic tryptophan (Trp) in BSA or HSA proteins. Both steady state fluorescence and lifetime measurements showed a significant Forster Resonance Energy Transfer (FRET) from Trp to the gold nanocluster. Tryptophan lifetimes in the case of protein-protected gold nanoclusters are 2.6 ns and 2.3 ns for BSA and HSA Au clusters while 5.8 ns for native BSA and 5.6 for native HSA. The apparent distances from Trp to gold nanocluster emission center, we estimated as 24.75 Å for BSA and 23.80 Å for HSA. We also studied a potassium iodide (KI) quenching of protein-protected gold nanoclusters and compared with the quenching of BSA and HSA alone. The rates of Trp quenching were smaller in BSA-Au and HSA-Au nanoclusters than in the case of free proteins, which is consistent with shorter lifetime of quenched Trp(s) and lower accessibility for KI. While Trp residues were quenched by KI, the emissions originated from nanoclusters were practically unquenched. In summary, for BSA and HSA Au clusters, we found 55% and 59% energy transfer efficiency respectively from tryoptophan to gold clusters. We believe this interaction can be used to our advantage in terms of developing resonance energy transfer based sensing applications. (paper)

  6. Structural, electronic and magnetic properties of pure metallic and bimetallic nanoclusters: Empirical and density functional studies

    Science.gov (United States)

    Hijazi, Iyad Ahmed

    This thesis is aimed at investigating structural, electronic and magnetic properties of metallic/bimetallic nanoclusters. First, a simple empirical embedded-atom potential (EAM) that includes a long range force is developed for FCC metals and alloys. The proposed potential for pure metals does not require modification of the initial function form when being applied to alloy systems. The potential parameters are determined by fitting lattice constant, three elastic constants, cohesive energy, and vacancy formation energies of the pure metals, and the heats of solution of the binary alloys via an optimization technique. Parameters for Ag, Al, Au, Cu, Ni, Pd and Pt have been obtained and used to calculate the bulk modulus, divacancy formation energy, crystal stability, stacking fault energy, vacancy migration energy, and melting point for each pure metal and the heats of formation and lattice constants for binary alloys. The predicted values are in good agreement with experimental results. Structural stabilities and energetics for Cu and Au clusters with up to 56 atoms were also studied using a hierarchical search method. The method employed an effective Monte Carlo (MC) simulated annealing method, utilizing our EAM potential, to identify low-lying structures. In general agreement with previous empirical studies, the lowest-energy copper structures adapt a single icosahedral structural motif. However, contrary to studies that describe gold as less symmetric, this work demonstrates that gold clusters adapt both an icosahedral and icositetrahedral structural motifs with many clusters having symmetric geometries. The structures of the lowest-energy isomers were later optimized using Density Functional Theory (DFT) simulations, and compared to those of available clusters from previous studies. Their lowest-energy structures are mostly found in our pool of isomers, identified by the present method. Our results are in agreement with or lower in energy than existing ab

  7. Clustomesogens: Liquid Crystalline Hybrid Nanomaterials Containing Functional Metal Nanoclusters.

    Science.gov (United States)

    Molard, Yann

    2016-08-16

    Inorganic phosphorescent octahedral metal nanoclusters fill the gap between metal complexes and nanoparticles. They are finite groups of metal atoms linked by metal-metal bonds, with an exact composition and structure at the nanometer scale. As their phosphorescence internal quantum efficiency can approach 100%, they represent a very attractive class of molecular building blocks to design hybrid nanomaterials dedicated to light energy conversion, optoelectronic, display, lighting, or theragnostic applications. They are obtained as AnM6X(i)8X(a)6 ternary salt powders (A = alkali cation, M = Mo, Re, W, X(i): halogen inner ligand, X(a) = halogen apical ligand) by high temperature solid state synthesis (750-1200 °C). However, their ceramic-like behavior has largely restricted their use as functional components in the past. Since these last two decades, several groups, including ours, started to tackle the challenge of integrating them in easy-to-process materials. Within this context, we have extensively explored the nanocluster ternary salt specificities to develop a new class of self-organized hybrid organic-inorganic nanomaterials known as clustomesogens. These materials, combine the specific properties of nanoclusters (magnetic, electronic, luminescence) with the anisotropy-related properties of liquid crystals (LCs). This Account covers the research and development of clustomesogens starting from the design concepts and synthesis to their introduction in functional devices. We developed three strategies to build such hybrid super- or supramolecules. In the covalent approach, we capitalized on the apical ligand-metal bond iono-covalent character to graft tailor-made organic LC promoters on the {M6X(i)8}(n+) nanocluster cores. The supramolecular approach relies on the host-guest complexation of the ternary cluster salt alkali cations with functional crown ether macrocycles. We showed that the hybrid LC behavior depends on the macrocycles structural features

  8. One-step facile synthesis of Pd nanoclusters supported on carbon and their electrochemical property

    Directory of Open Access Journals (Sweden)

    Junjun Shi

    2014-12-01

    Full Text Available Well-crystallized Pd nanoclusters supported on Ketjen Black (KB were successfully fabricated when Pd wires were served as an electrode pair by a solution plasma technique at atmospheric pressure. The synthesis of Pd nanoclusters was almost simultaneous with their dispersion on KB. Pd nanoclusters with the average diameter of about 2 nm were equably distributed on KB, and showed good electrochemical property corresponding to their obvious characteristic peaks. Multi-scan cyclic voltammetry and chronoamperometry clarified that as-prepared Pd nanoclusters have better electrochemical stability in alkaline solution than that of in acidic solution. Thus as-obtained Pd nanoclusters would become a promising electrocatalyst for fuel cells or Li-air batteries.

  9. Pt, Co-Pt and Fe-Pt alloy nanoclusters encapsulated in virus capsids

    Science.gov (United States)

    Okuda, M.; Eloi, J.-C.; Jones, S. E. Ward; Verwegen, M.; Cornelissen, J. J. L. M.; Schwarzacher, W.

    2016-03-01

    Nanostructured Pt-based alloys show great promise, not only for catalysis but also in medical and magnetic applications. To extend the properties of this class of materials, we have developed a means of synthesizing Pt and Pt-based alloy nanoclusters in the capsid of a virus. Pure Pt and Pt-alloy nanoclusters are formed through the chemical reduction of [PtCl4]- by NaBH4 with/without additional metal ions (Co or Fe). The opening and closing of the ion channels in the virus capsid were controlled by changing the pH and ionic strength of the solution. The size of the nanoclusters is limited to 18 nm by the internal diameter of the capsid. Their magnetic properties suggest potential applications in hyperthermia for the Co-Pt and Fe-Pt magnetic alloy nanoclusters. This study introduces a new way to fabricate size-restricted nanoclusters using virus capsid.

  10. One-step facile synthesis of Pd nanoclusters supported on carbon and their electrochemical property

    Institute of Scientific and Technical Information of China (English)

    Junjun Shi; Xiulan Hu; Jianbo Zhang; Weiping Tang; Hongtao Li; Xiaodong Shen; Nagahiro Saito

    2014-01-01

    Well-crystallized Pd nanoclusters supported on Ketjen Black (KB) were successfully fabricated when Pd wires were served as an electrode pair by a solution plasma technique at atmospheric pressure. The synthesis of Pd nanoclusters was almost simultaneous with their dispersion on KB. Pd nanoclusters with the average diameter of about 2 nm were equably distributed on KB, and showed good electrochemical property corresponding to their obvious characteristic peaks. Multi-scan cyclic voltammetry and chronoamperometry clarified that as-prepared Pd nanoclusters have better electrochemical stability in alkaline solution than that of in acidic solution. Thus as-obtained Pd nanoclusters would become a promising electrocatalyst for fuel cells or Li-air batteries.

  11. Sub-micron scale patterning of fluorescent silver nanoclusters using low-power laser

    Science.gov (United States)

    Kunwar, Puskal; Hassinen, Jukka; Bautista, Godofredo; Ras, Robin H. A.; Toivonen, Juha

    2016-04-01

    Noble metal nanoclusters are ultrasmall nanomaterials with tunable properties and huge application potential; however, retaining their enhanced functionality is difficult as they readily lose their properties without stabilization. Here, we demonstrate a facile synthesis of highly photostable silver nanoclusters in a polymer thin film using visible light photoreduction. Furthermore, the different stages of the nanocluster formation are investigated in detail using absorption and fluorescence spectroscopy, fluorescence microscopy, and atomic force microscopy. A cost-effective fabrication of photostable micron-sized fluorescent silver nanocluster barcode is demonstrated in silver-impregnated polymer films using a low-power continuous-wave laser diode. It is shown that a laser power of as low as 0.75 mW is enough to write fluorescent structures, corresponding to the specifications of a commercially available laser pointer. The as-formed nanocluster-containing microstructures can be useful in direct labeling applications such as authenticity marking and fluorescent labeling.

  12. Nucleation and mobility model of Agn clusters adsorbed on perfect and oxygen vacancy MgO surfaces.

    Science.gov (United States)

    Liu, Yongfei; Wang, Yan; Chen, Guangju

    2011-05-01

    The structures and energy properties for Ag(n) (n = 1-8) metal clusters adsorbed on the perfect and oxygen vacancy MgO surfaces have been studied by using the DFT/UB3LYP method with an embedded cluster model. The nucleation and mobility model for the Ag(n) (n = 1-8) clusters on the perfect and oxygen vacancy MgO(100) surfaces was investigated. The results show that the Ag atoms locate initially at the surface oxygen vacancy sites; then, with the growth of Ag cluster sizes, the large Ag clusters move possibly out of the vacancy sites by a rolling model, and diffuse on the MgO surface under a certain temperature condition. The relative energies needed for moving out of the oxygen vacancy region for the adsorbed Ag(n) clusters with the rolling model have been predicted. The even-odd oscillation behaviors for the cohesive energies, nucleation energies, first ionization potentials and HOMO-LUMO gaps of the adsorbed Ag(n) clusters with the variation of cluster sizes have also been discussed.

  13. Stochastic analysis of nucleation rates

    Science.gov (United States)

    Johansson, Jonas

    2016-02-01

    We show that approximating the Becker-Döring equations with a Langevin equation results in multiplicative noise, which in turn leads to a family of possible Fokker-Planck equations according to the Ito-Stratonovich dilemma. Using a simple and general model for the attachment and detachment rates, we find that the Ito choice approximates the nucleation rate best and also coincides with the Fokker-Planck equation resulting from the common way to Taylor expand the original set of rate equations.

  14. Ice Nucleation Activity in Lichens

    OpenAIRE

    Kieft, Thomas L.

    1988-01-01

    A newly discovered form of biological ice nucleus associated with lichens is described. Ice nucleation spectra of a variety of lichens from the southwestern United States were measured by the drop-freezing method. Several epilithic lichen samples of the genera Rhizoplaca, Xanthoparmelia, and Xanthoria had nuclei active at temperatures as warm as −2.3°C and had densities of 2.3 × 106 to more than 1 × 108 nuclei g−1 at −5°C (2 to 4 orders of magnitude higher than any plants infected with ice nu...

  15. Stochastic analysis of nucleation rates.

    Science.gov (United States)

    Johansson, Jonas

    2016-02-01

    We show that approximating the Becker-Döring equations with a Langevin equation results in multiplicative noise, which in turn leads to a family of possible Fokker-Planck equations according to the Ito-Stratonovich dilemma. Using a simple and general model for the attachment and detachment rates, we find that the Ito choice approximates the nucleation rate best and also coincides with the Fokker-Planck equation resulting from the common way to Taylor expand the original set of rate equations. PMID:26986388

  16. Systematic Coarse-Graining in Nucleation Theory

    CERN Document Server

    Schweizer, Marco

    2015-01-01

    We present a novel approach to nucleation processes based one the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent lit...

  17. Simple improvements to classical bubble nucleation models

    CERN Document Server

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

    2015-01-01

    We revisit classical nucleation theory (CNT) for the homogeneous bubble nucleation rate and improve the classical formula using a new prefactor in the nucleation rate. Most of the previous theoretical studies have used the constant prefactor determined by the bubble growth due to the evaporation process from the bubble surface. However, the growth of bubbles is also regulated by the thermal conduction, the viscosity, and the inertia of liquid motion. These effects can decrease the prefactor significantly, especially when the liquid pressure is much smaller than the equilibrium one. The deviation in the nucleation rate between the improved formula and the CNT can be as large as several orders of magnitude. Our improved, accurate prefactor and recent advances in molecular dynamics simulations and laboratory experiments for argon bubble nucleation enable us to precisely constrain the free energy barrier for bubble nucleation. Assuming the correction to the CNT free energy is of the functional form suggested by T...

  18. Facile Synthesis of Enhanced Fluorescent Gold-Silver Bimetallic Nanocluster and Its Application for Highly Sensitive Detection of Inorganic Pyrophosphatase Activity.

    Science.gov (United States)

    Zhou, Qian; Lin, Youxiu; Xu, Mingdi; Gao, Zhuangqiang; Yang, Huanghao; Tang, Dianping

    2016-09-01

    Herein, gold-silver bimetallic nanoclusters (Au-Ag NCs) with the high fluorescent intensity were first synthesized successfully and utilized for the fabrication of sensitive and specific sensing probes toward inorganic pyrophosphatase (PPase) activity with the help of copper ion (Cu(2+)) and inorganic pyrophosphate ion (PPi). Cu(2+) was used as the quencher of fluorescent Au-Ag NC, while PPi was employed as the hydrolytic substrate of PPase. The system consisted of PPi, Cu(2+) ion, and bovine serum albumin (BSA)-stabilized Au-Ag NC. The detection was carried out by enzyme-induced hydrolysis of PPi to liberate copper ion from the Cu(2+)-PPi complex. In the absence of target PPase, free copper ions were initially chelated with inorganic pyrophosphate ions to form the Cu(2+)-PPi complexes via the coordination chemistry, thus preserving the natural fluorescent intensity of the Au-Ag NCs. Upon addition of target PPase into the detection system, the analyte hydrolyzed PPi into phosphate ions and released Cu(2+) ion from the Cu(2+)-PPi complex. The dissociated copper ions readily quenched the fluorescent signal of Au-Ag NCs, thereby resulting in the decrease of fluorescent intensity. Under optimal conditions, the detectable fluorescent intensity of the as-prepared Au-Ag NCs was linearly dependent on the activity of PPase within a dynamic linear range of 0.1-30 mU/mL and allowed the detection at a concentration as low as 0.03 mU/mL at the 3sblank criterion. Good reproducibility (CV fluorescent Au-Ag NCs offer promise for simple and cost-effective screening of target PPase activity without the needs of sample separation and multiple washing steps. PMID:27476555

  19. Nucleation on active centers in confined volumes

    OpenAIRE

    Kožíšek, Zdeněk; Hikosaka, Masamichi; Okada, Kiyoka; Demo, Pavel

    2012-01-01

    Kinetic equations describing nucleation on active centers are solved numerically to determine the number of supercritical nuclei, nucleation rate, and the number density of nuclei for formation both of droplets from vapor and also crystalline phase from vapor, solution, and melt. Our approach follows standard nucleation model, when the exhaustion of active centers is taken into account via the boundary condition, and thus no additional equation (expressing exhaustion of active centers) is nee...

  20. DNA-templated silver nanoclusters based label-free fluorescent molecular beacon for the detection of adenosine deaminase.

    Science.gov (United States)

    Zhang, Kai; Wang, Ke; Xie, Minhao; Zhu, Xue; Xu, Lan; Yang, Runlin; Huang, Biao; Zhu, Xiaoli

    2014-02-15

    A general and reliable fluorescent molecular beacon is proposed in this work utilizing DNA-templated silver nanoclusters (AgNCs). The fluorescent molecular beacon has been employed for sensitive determination of the concentration of adenosine deaminase (ADA) and its inhibition. A well-designed oligonucleotide containing three functional regions (an aptamer region for adenosine assembly, a sequence complementary to the region of the adenosine aptamer, and an inserted six bases cytosine-loop) is adopted as the core element in the strategy. The enzymatic reaction of adenosine catalyzed by ADA plays a key role as well in the regulation of the synthesis of the DNA-templated AgNCs, i.e. the signal indicator. The intensity of the fluorescence signal may thereby determine the concentration of the enzyme and its inhibitor. The detection limit of the ADA can be lowered to 0.05 UL(-1). Also, 100 fM of a known inhibitor erythro-9-(2-hydroxy-3-nonyl) adenine hydrochloride (EHNA) is enough to present distinguishable fluorescence emission. Moreover, since the fluorescent signal indicator is not required to be bound with the oligonucleotide, this fluorescent molecular beacon may integrate the advantages of both the label-free and signal-on strategies.

  1. Binary Nucleation of Water and Sodium Chloride

    Energy Technology Data Exchange (ETDEWEB)

    Nemec, Thomas [Institute of Thermomechanics ASCR, Prague, Czech Republic; Marsik, Frantisek [Institute of Thermomechanics ASCR, Prague, Czech Republic; Palmer, Donald [ORNL

    2005-01-01

    Nucleation processes in the binary water-sodium chloride system are investigated in the sense of the classical nucleation theory (CNT). The CNT is modified to be able to handle the electrolytic nature of the system and is employed to investigate the acceleration of the nucleation process due to the presence of sodium chloride in the steam. This phenomenon, frequently observed in the Wilson zone of steam turbines, is called early condensation. Therefore, the nucleation rates of the water-sodium chloride mixture are of key importance in the power cycle industry.

  2. Ice Nucleation on Carbon Surface Supports the Classical Theory for Heterogeneous Nucleation

    CERN Document Server

    Cabriolu, Raffaela

    2015-01-01

    The prevalence of heterogeneous nucleation in nature was explained qualitatively by the classical theory for heterogeneous nucleation established over more than 60 years ago, but the quantitative validity and the key conclusions of the theory have remained unconfirmed. Employing the forward flux sampling method and the coarse-grained water model mW, we explicitly computed the heterogeneous ice nucleation rates in the supercooled water on a graphitic surface at various temperatures. The independently calculated ice nucleation rates were found to fit well according to the classical theory for heterogeneous nucleation. The fitting procedure further yields the estimate of the potency factor which measures the ratio of the heterogeneous nucleation barrier to the homogeneous nucleation barrier. Remarkably, the estimated potency factor agrees quantitatively with the volumetric ratio of the critical nuclei between the heterogeneous and homogeneous nucleation. Our numerical study thus provides a strong support to the ...

  3. Synthesis, Characterization and Application of Water-soluble Gold and Silver Nanoclusters

    Science.gov (United States)

    Kumar, Santosh

    The term `nanotechnology' has emerged as a buzzword since the last few decades. It has found widespread applications across disciplines, from medicine to energy. The synthesis of gold and silver nanoclusters has found much excitement, due to their novel material properties. Seminal work by various groups, including ours, has shown that the size of these clusters can be controlled with atomic precision. This control gives access to tuning the optical and electronic properties. The majority of nanoclusters reported thus far are not water soluble, which limit their applications in biology that requires water-solubility. Going from organic to aqueous phase is by no means a simple task, as it is associated with many challenges. Their stability in the presence of oxygen, difficulty in characterization, and separation of pure nanoclusters are some of the major bottlenecks associated with the synthesis of water-soluble gold nanoclusters. Water-soluble gold nanoclusters hold great potential in biological labeling, bio-catalysis and nano-bioconjugates. To overcome this problem, a new ligand with structural rigidity is needed. After considering various possibilities, we chose Captopril as a candidate ligand. In my thesis research, the synthesis of Au25 nanocluster capped with captopril has been reported. Captopril-protected Au25 nanocluster showed significantly higher thermal stability and enhanced chiroptical properties than the Glutathione-capped cluster, which confirms our initial rationale, that the ligand is critical in protecting the nanocluster. The optical absorption properties of these Au25 nanoclusters are studied and compared to the plasmonic nanoparticles. The high thermal stability and solubility of Au25 cluster capped with Captopril motivated us to explore this ligand for the synthesis of other gold clusters. Captopril is a chiral molecule with two chiral centers. The chiral ligand can induce chirality to the overall cluster, even if the core is achiral

  4. Structuring effects in binary nucleation: Molecular dynamics simulatons and coarse-grained nucleation theory

    NARCIS (Netherlands)

    Braun, S.; Kraska, T.; Kalikmanov, V.I.

    2013-01-01

    Binary clusters formed by vapor-liquid nucleation are frequently nonhomogeneous objects in which components are not well mixed. The structure of a cluster plays an important role in nucleation and cluster growth. We demonstrate structuring effects by studying high-pressure nucleation and cluster gro

  5. Superheating and melting behaviors of Ag clusters with Ni coating studied by molecular dynamics and experiments

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Using molecular dynamics with embedded-atom-type interatomicpotentials, we simulated the melting behavior of a spherical Ag3055 cluster coated with Ni. The semi-coherent Ag/Ni interface formed at low temperatures acts as an effective barrier against the surface melting and leads to a substantial superheating of the Ag cluster. The melting point was found to be about 100 K above the equilibrium melting point of the bulk Ag crystal (1230 K±15 K) and about 290 K above that (1040 K) of the free Ag3055 cluster. A superheating of 70 K was observed in the high-temperature differential scanning calorimetry measurement for Ag particles with a mean size of 30 nm embedded in Ni matrix prepared by means of melt-spinning. Melting is initiated locally at the defective interfacial area and then propagates inwards, suggesting a heterogeneously nucleated melting event at the Ag/Ni interface.

  6. Silicon nanowire arrays coated with electroless Ag for increased surface-enhanced Raman scattering

    Science.gov (United States)

    Bai, Fan; Li, Meicheng; Fu, Pengfei; Li, Ruike; Gu, Tiansheng; Huang, Rui; Chen, Zhao; Jiang, Bing; Li, Yingfeng

    2015-05-01

    The ordered Ag nanorod (AgNR) arrays are fabricated through a simple electroless deposition technique using the isolated Si nanowire (SiNW) arrays as the Ag-grown scaffold. The AgNR arrays have the single-crystallized structure and the plasmonic crystal feature. It is found that the formation of the AgNR arrays is strongly dependent on the filling ratio of SiNWs. A mechanism is proposed based on the selective nucleation and the synergistic growth of Ag nanoparticles on the top of the SiNWs. Moreover, the special AgNR arrays grown on the substrate of SiNWs exhibit a detection sensitivity of 10-15M for rhodamine 6G molecules, which have the potential application to the highly sensitive surface-enhanced Raman scattering sensors.

  7. Blue shift of plasmon resonance in Cu and Ag ion-exchanged and annealed soda-lime glass: an optical absorption study

    International Nuclear Information System (INIS)

    Metal nanocluster composite glasses are formed by the ion-exchange technique of dipping the host matrix in the respective metal salt bath of interest. These ion-exchanged glasses are then annealed in air for 1 h at different temperatures. The optical absorption spectra of the ion-exchanged and annealed samples confirmed the presence of nano sized metal clusters embedded inside the glass matrix. With increase of the annealing temperature, the absorption peak of the Cu and Ag nanoparticles showed a blue shift which can be attributed to the change in particle size and volume fraction. Annealing of the sequential Cu and Ag ion-exchanged soda-lime glass resulted in the formation of complex metal nanocluster composite glass, with the optical spectra exhibiting two peaks corresponding to the surface plasmon resonance of both metals

  8. Importance of configurational contributions to the free energy of nanoclusters

    Directory of Open Access Journals (Sweden)

    M. Posselt

    2013-07-01

    Full Text Available An effective simulation method based on the Wang-Landau Monte Carlo algorithm is used in order to demonstrate the significance of the configurational contributions to the free energy of embedded nanoclusters. Starting from the most stable cluster configuration the simulation provides all geometrically different, but simply connected and sufficiently compact configurations of a nanocluster of a given size and the respective formation energies. The knowledge of these data allows the calculation of the free formation and free binding energy of the cluster at T ≠ 0. The method is applied to coherent Cu clusters in bcc-Fe. It is shown that even at moderate temperatures the configurational contributions to the free formation and binding energy must not be neglected. The dependence of the monomer free binding energy on clusters size is found to change significantly with increasing temperature which has a considerable effect on the pathway of cluster evolution. Therefore, present investigations provide an essential contribution to the improvement of the input parameters for object kinetic Monte Carlo simulations and rate theory used in multi-scale simulations of the nanostructure evolution. The calculation scheme developed in this work is rather general and applicable to many types of embedded nanoclusters. Compared to the method of overlapping distributions hitherto used in some cases to determine the configurational part of the free energy the new method has major advantages. Various tests are performed in order verify the presented approach and to compare with the results of the other calculation procedure. A roadmap is proposed to include the vibrational contributions to the free energy of the clusters within the framework of the method employed in this work.

  9. Nucleation in suspensions of anisotropic colloids

    NARCIS (Netherlands)

    Schilling, T.; Frenkel, D.

    2005-01-01

    We report Monte Carlo studies of liquid crystal nucleation in two types of anisotropic colloidal systems: hard rods and hard ellipsoids. In both cases we find that nucleation pathways differ strongly from the pathways in systems of spherical particles. Short hard rods show an effect of self-poisonin

  10. Tuning Ice Nucleation with Supercharged Polypeptides

    NARCIS (Netherlands)

    Yang, Huige; Ma, Chao; Li, Kaiyong; Liu, Kai; Loznik, Mark; Teeuwen, Rosalie; van Hest, Jan C. M.; Zhou, Xin; Herrmann, Andreas; Wang, Jianjun

    2016-01-01

    Supercharged unfolded polypeptides (SUPs) are exploited for controlling ice nucleation via tuning the nature of charge and charge density of SUPs. The results show that positively charged SUPs facilitate ice nucleation, while negatively charged ones suppress it. Moreover, the charge density of the S

  11. Tuning Ice Nucleation with Supercharged Polypeptides.

    Science.gov (United States)

    Yang, Huige; Ma, Chao; Li, Kaiyong; Liu, Kai; Loznik, Mark; Teeuwen, Rosalie; van Hest, Jan C M; Zhou, Xin; Herrmann, Andreas; Wang, Jianjun

    2016-07-01

    Supercharged unfolded polypeptides (SUPs) are exploited for controlling ice nucleation via tuning the nature of charge and charge density of SUPs. The results show that positively charged SUPs facilitate ice nucleation, while negatively charged ones suppress it. Moreover, the charge density of the SUP backbone is another parameter to control it. PMID:27119590

  12. Simple improvements to classical bubble nucleation models

    Science.gov (United States)

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

    2015-08-01

    We revisit classical nucleation theory (CNT) for the homogeneous bubble nucleation rate and improve the classical formula using a correct prefactor in the nucleation rate. Most of the previous theoretical studies have used the constant prefactor determined by the bubble growth due to the evaporation process from the bubble surface. However, the growth of bubbles is also regulated by the thermal conduction, the viscosity, and the inertia of liquid motion. These effects can decrease the prefactor significantly, especially when the liquid pressure is much smaller than the equilibrium one. The deviation in the nucleation rate between the improved formula and the CNT can be as large as several orders of magnitude. Our improved, accurate prefactor and recent advances in molecular dynamics simulations and laboratory experiments for argon bubble nucleation enable us to precisely constrain the free energy barrier for bubble nucleation. Assuming the correction to the CNT free energy is of the functional form suggested by Tolman, the precise evaluations of the free energy barriers suggest the Tolman length is ≃0.3 σ independently of the temperature for argon bubble nucleation, where σ is the unit length of the Lennard-Jones potential. With this Tolman correction and our prefactor one gets accurate bubble nucleation rate predictions in the parameter range probed by current experiments and molecular dynamics simulations.

  13. Organization of copper nanoclusters in Langmuir–Blodgett films

    Indian Academy of Sciences (India)

    G Hemakanthi; Aruna Dhathathreyan; T Ramasami

    2002-02-01

    Stable nanoclusters of Cu were synthesized using Langmuir–Blodgett films of octadecylsuccinic acid (ODSA) as template. The Langmuir–Blodgett films of ODSA formed from subphase containing copper ions were first subjected to sulphidation (S) using sodium sulphide and then hydrogenated (H) using hydrogen gas. Diffuse reflectance UV-visible spectroscopy (DIR-UV-vis), X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM) used to characterize these films indicated the formation of Cu(0) metallic clusters ranging in size from 3 ∼ 10 nm.

  14. Fabrication of metal nanoclusters on graphene grown on Ru(0001)

    Institute of Scientific and Technical Information of China (English)

    ZHANG Hui; FU Qiang; CUI Yi; TAN DaLi; BAO XinHe

    2009-01-01

    Monolayer graphene was epitaxially grown on Ru(0001) through exposure of the Ru(0001) to ethylene at room temperature followed by annealing in ultrahigh vacuum at elevated temperatures. The resulting graphene structures were studied by scanning tunneling microscopy (STM), X-ray photoelectron spec-troscopy (XPS), and ultraviolet photoelectron spectroscopy (UPS). The graphene/Ru(0001) surface was used as a periodic template for growth of metal nanoclusters. Highly dispersed Pt clusters with well controlled size and spatial distribution were fabricated on the surface.

  15. Dynamic study on the transformation process of gold nanoclusters.

    Science.gov (United States)

    Ma, Xiaoqian; Wen, Xiaoming; Toh, Yon-Rui; Huang, Kuo-Yen; Tang, Jau; Yu, Pyng

    2014-11-01

    In this paper, the transformation process from Au8 to Au25 nanoclusters (NCs) is investigated with steady state fluorescence spectroscopy and time-resolved fluorescence spectroscopy at various reaction temperatures and solvent diffusivities. Results demonstrate that Au8 NCs, protected by bovine serum albumin, transform into Au25 NCs under controlled pH values through an endothermic reaction with the activation energy of 74 kJ mol(-1). Meanwhile, the characteristic s-shaped curves describing the formation of Au25 NCs suggest this process involves a diffusion controlled growth mechanism.

  16. GE NANOCLUSTERS IN PLANAR GLASS WAVEGUIDES DEPOSITED BY PECVD

    DEFF Research Database (Denmark)

    Haiyan, Ou; Olsen, Johnny H.; Rottwitt, Karsten;

    2004-01-01

    Germanium (Ge) has been widely used as the dopant in the core layer of planar glass waveguides to increase the refractive index because it gives a small propagation loss. Plasma enhanced chemical vapour deposition (PECVD) and flame hydrolysis deposition (FHD) are two main material deposition...... this work we study the size and distribution of the nanoclusters by transmission electron microscopy (TEM) and Raman spectroscopy. The formation of the clusters is investigated by varying the Ge concentration in the glass and changing the annealing conditions such as temperature, atmosphere and time...

  17. Nucleation barrier height in undercooled metallic melts

    Institute of Scientific and Technical Information of China (English)

    Gang WANG; Dechang ZENG; Zhongwu LIU

    2012-01-01

    The phase-field model of a liquid-to-solid transition was constructed where the model parameters were linked quantitatively to the interfacial properties,and the variation of nucleation barrier height in undercooled metallic melts with respect to undercooling was studied respectively based on two kinds of forms of local free energy density.The calculation results show that,with the increase of undercooling,the critical nucleus does not show bulk properties,and the nucleation barrier height decreases gradually and deviates more and more from that predicted by the classical nucleation theory in both cases.The physical spinodal occurs for a specific form of the local free energy density,where the nucleation barrier height vanishes when the undercooling reaches a critical value and the reduced nucleation barrier height can be expressed by a function of the ratio of undercooling to critical undercooling.

  18. Preparation, characterization, and photocatalytic activity of porous AgBr@Ag and AgBrI@Ag plasmonic photocatalysts

    Science.gov (United States)

    Yang, Fan; Tian, Baozhu; Zhang, Jinlong; Xiong, Tianqing; Wang, Tingting

    2014-02-01

    Porous AgBr@Ag and AgBrI@Ag plasmonic photocatalysts were synthesized by a multistep route, including a dealloying method to prepare porous Ag, a transformation from Ag to AgBr and AgBrI, and a photo-reduction process to form Ag nanoparticles on the surface of AgBr and AgBrI. It was found that the porous structure kept unchanged during Ag was transferred into AgBr, AgBrI, AgBr@Ag, and AgBrI@Ag. Both porous AgBr@Ag and porous AgBrI@Ag showed much higher visible-light photocatalytic activity than cubic AgBr@Ag for the degradation of methyl orange, which is because the interconnected pore channels not only provide more reactive sites but also favor the transportation of photo-generated electrons and holes. For AgBrI@Ag, AgBrI solid solution formed at the interface of AgBr and AgI, and the phase junction can effectively separate the photo-generated electrons and holes, favorable to the improvement of photocatalytic activity. The optimal I content for obtaining the highest activity is ∼10 at.%.

  19. DNA-stabilized silver nanoclusters and carbon nanoparticles oxide: A sensitive platform for label-free fluorescence turn-on detection of HIV-DNA sequences.

    Science.gov (United States)

    Ye, Yu-Dan; Xia, Li; Xu, Dang-Dang; Xing, Xiao-Jing; Pang, Dai-Wen; Tang, Hong-Wu

    2016-11-15

    Based on the remarkable difference between the interactions of carbon nanoparticles (CNPs) oxide with single-stranded DNA (ssDNA) and double-stranded DNA (dsDNA), and the fact that fluorescence of DNA-stabilized silver nanoclusters (AgNCs) can be quenched by CNPs oxide, DNA-functionalized AgNCs were applied as label-free fluorescence probes and a novel fluorescence resonance energy transfer (FRET) sensor was successfully constructed for the detection of human immunodeficiency virus (HIV) DNA sequences. CNPs oxide were prepared with the oxidation of candle soot, hence it is simple, time-saving and low-cost. The strategy of dual AgNCs probes was applied to improve the detection sensitivity by using dual- probe capturing the same target DNA in a sandwich mode and as the fluorescence donor, and using CNPs oxide as the acceptor. In the presence of target DNA, a dsDNA hybrid forms, leading to the desorption of the ssDNA-AgNCs probes from CNPs oxide, and the recovering of fluorescence of the AgNCs in a HIV-DNA concentration-dependent manner. The results show that HIV-DNA can be detected in the range of 1-50nM with a detection limit of 0.40nM in aqueous buffer. The method is simple, rapid and sensitive with no need of labeled fluorescent probes, and moreover, the design of fluorescent dual-probe makes full use of the excellent fluorescence property of AgNCs and further improves the detection sensitivity. PMID:27295571

  20. Nucleation and growth in alkaline zinc electrodeposition An Experimental and Theoretical study

    Science.gov (United States)

    Desai, Divyaraj

    The current work seeks to investigate the nucleation and growth of zinc electrodeposition in alkaline electrolyte, which is of commercial interest to alkaline zinc batteries for energy storage. The morphology of zinc growth places a severe limitation on the typical cycle life of such batteries. The formation of mossy zinc leads to a progressive deterioration of battery performance while zinc dendrites are responsible for sudden catastrophic battery failure. The problems are identified as the nucleation-controlled formation of mossy zinc and the transport-limited formation of dendritic zinc. Consequently, this thesis work seeks to investigate and accurately simulate the conditions under which such morphologies are formed. The nucleation and early-stage growth of Zn electrodeposits is studied on carbon-coated TEM grids. At low overpotentials, the morphology develops by aggregation at two distinct length scales: ~5 nm diameter monocrystalline nanoclusters form ~50nm diameter polycrystalline aggregates, and second, the aggregates form a branched network. Epitaxial (0002) growth above a critical overpotential leads to the formation of hexagonal single-crystals. A kinetic model is provided using the rate equations of vapor solidification to simulate the evolution of the different morphologies. On solving these equations, we show that aggregation is attributed to cluster impingement and cluster diffusion while single-crystal formation is attributed to direct attachment. The formation of dendritic zinc is investigated using in-operando transmission X-ray microscopy which is a unique technique for imaging metal electrodeposits. The nucleation density of zinc nuclei is lowered using polyaniline films to cover the active nucleation sites. The effect of overpotential is investigated and the morphology shows beautiful in-operando formation of symmetric zinc crystals. A linear perturbation model was developed to predict the growth and formation of these crystals to first

  1. Modeling the crystallization of gold nanoclusters-the effect of the potential energy function

    International Nuclear Information System (INIS)

    The crystallization dynamics of 5083 atom gold nanoclusters, which were quenched from the melt, were studied by molecular dynamics (MD) using the EAM 'Glue' and 'Force-matched' potentials to compare and contrast how the crystallization dynamics is affected by these potential energy functions. MD simulations from each potential showed the formation of gold nanoclusters of icosahedral morphology during the quenching process, which is in good agreement with the experimental studies of gold nanoclusters formed under vacuum. The effect of the potential on the evolution of cluster (surface and interior) morphology during the crystallization process is discussed.

  2. Size-dependent mobility of gold nano-clusters during growth on chemically modified graphene

    Energy Technology Data Exchange (ETDEWEB)

    Bell, Gavin R., E-mail: gavin.bell@warwick.ac.uk; Dawson, Peter M.; Pandey, Priyanka A.; Wilson, Neil R. [Department of Physics, University of Warwick, Coventry CV4 7AL (United Kingdom); Mulheran, Paul A. [Department of Chemical and Process Engineering, University of Strathclyde, James Weir Building, 75 Montrose St., Glasgow G1 1XJ (United Kingdom)

    2014-01-01

    Gold nano-clusters were grown on chemically modified graphene by direct sputter deposition. Transmission electron microscopy of the nano-clusters on these electron-transparent substrates reveals an unusual bimodal island size distribution (ISD). A kinetic Monte Carlo model of growth incorporating a size-dependent cluster mobility rule uniquely reproduces the bimodal ISD, providing strong evidence for the mobility of large clusters during surface growth. The cluster mobility exponent of −5/3 is consistent with cluster motion via one-dimensional diffusion of gold atoms around the edges of the nano-clusters.

  3. Size-dependent mobility of gold nano-clusters during growth on chemically modified graphene

    Directory of Open Access Journals (Sweden)

    Gavin R. Bell

    2014-01-01

    Full Text Available Gold nano-clusters were grown on chemically modified graphene by direct sputter deposition. Transmission electron microscopy of the nano-clusters on these electron-transparent substrates reveals an unusual bimodal island size distribution (ISD. A kinetic Monte Carlo model of growth incorporating a size-dependent cluster mobility rule uniquely reproduces the bimodal ISD, providing strong evidence for the mobility of large clusters during surface growth. The cluster mobility exponent of −5/3 is consistent with cluster motion via one-dimensional diffusion of gold atoms around the edges of the nano-clusters.

  4. Ligand-exchange synthesis of selenophenolate-capped Au25 nanoclusters

    Science.gov (United States)

    Meng, Xiangming; Xu, Qian; Wang, Shuxin; Zhu, Manzhou

    2012-06-01

    We report the synthesis and characterization of selenophenolate-capped 25-gold-atom nanoclusters via a ligand-exchange approach. In this method, phenylethanethiolate (PhCH2CH2S) capped Au25 nanoclusters are utilized as the starting material, which is subject to ligand-exchange with selenophenol (PhSeH). The as-obtained cluster product is confirmed to be selenophenolate-protected Au25 nanoclusters through characterization by electrospray ionization (ESI) and matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS), thermogravimetric analysis (TGA), elemental analysis (EA), UV-Vis and 1H/13C NMR spectroscopies. The ligand-exchange synthesis of [Au25(SePh)18]-[(C8H17)4N]+ nanoclusters demonstrates that the core size of gold nanoclusters is retained in the thiolate-to-selenolate exchange process and that the 18 surface thiolate ligands can be completely exchanged by selenophenolate, rather than giving rise to a mixed ligand shell on the cluster. The two types of Au25L18 (L = thiolate or selenolate) nanoclusters also show some differences in stability and optical properties.We report the synthesis and characterization of selenophenolate-capped 25-gold-atom nanoclusters via a ligand-exchange approach. In this method, phenylethanethiolate (PhCH2CH2S) capped Au25 nanoclusters are utilized as the starting material, which is subject to ligand-exchange with selenophenol (PhSeH). The as-obtained cluster product is confirmed to be selenophenolate-protected Au25 nanoclusters through characterization by electrospray ionization (ESI) and matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS), thermogravimetric analysis (TGA), elemental analysis (EA), UV-Vis and 1H/13C NMR spectroscopies. The ligand-exchange synthesis of [Au25(SePh)18]-[(C8H17)4N]+ nanoclusters demonstrates that the core size of gold nanoclusters is retained in the thiolate-to-selenolate exchange process and that the 18 surface thiolate ligands can be completely exchanged by

  5. Kinetically controlled synthesis of Au102(SPh)44 nanoclusters and catalytic application

    Science.gov (United States)

    Chen, Yongdong; Wang, Jin; Liu, Chao; Li, Zhimin; Li, Gao

    2016-05-01

    We here explore a kinetically controlled synthetic protocol for preparing solvent-solvable Au102(SPh)44 nanoclusters which are isolated from polydispersed gold nanoclusters by solvent extraction and size exclusion chromatography (SEC). The as-obtained Au102(SPh)44 nanoclusters are determined by matrix-assisted laser desorption ionization (MALDI) and electrospray ionization (ESI) mass spectrometry, in conjunction with UV-vis spectroscopy and thermogravimetric analysis (TGA). However, Au99(SPh)42, instead of Au102(SPh)44, is yielded when the polydispersed gold nanoclusters are etched in the presence of excess thiophenol under thermal conditions (e.g., 80 °C). Interestingly, the Au102(SPh)44 nanoclusters also can convert to Au99(SPh)42 with equivalent thiophenol ligands, evidenced by the analyses of UV-vis and MALDI mass spectrometry. Finally, the TiO2-supported Au102(SPh)44 nanocluster catalyst is investigated in the selective oxidation of sulfides into sulfoxides by the PhIO oxidant and gives rise to high catalytic activity (e.g., 80-99% conversion of R-S-R' sulfides with 96-99% selectivity for R-S(&z.dbd;O)-R' sulfoxides). The Au102(SPh)44/TiO2 catalyst also shows excellent recyclability in the sulfoxidation process.We here explore a kinetically controlled synthetic protocol for preparing solvent-solvable Au102(SPh)44 nanoclusters which are isolated from polydispersed gold nanoclusters by solvent extraction and size exclusion chromatography (SEC). The as-obtained Au102(SPh)44 nanoclusters are determined by matrix-assisted laser desorption ionization (MALDI) and electrospray ionization (ESI) mass spectrometry, in conjunction with UV-vis spectroscopy and thermogravimetric analysis (TGA). However, Au99(SPh)42, instead of Au102(SPh)44, is yielded when the polydispersed gold nanoclusters are etched in the presence of excess thiophenol under thermal conditions (e.g., 80 °C). Interestingly, the Au102(SPh)44 nanoclusters also can convert to Au99(SPh)42 with equivalent

  6. Reduction of conductivity and ferromagnetism induced by Ag doping in ZnO:Co

    Energy Technology Data Exchange (ETDEWEB)

    Bieber, H.; Colis, S.; Schmerber, G.; Pierron-Bohnes, V. [Institut de Physique et Chimie des Matériaux de Strasbourg (IPCMS), UMR 7504 UDS-CNRS (UDS-ECPM), 23 Rue du Loess, BP 43, F-67034 Strasbourg Cedex 2 (France); Boukhvalov, D.W., E-mail: danil@kias.re.kr [School of Computational Sciences, Korea Institute for Advanced Study (KIAS), Hoegiro 87, Dongdaemun-Gu, Seoul 130-722 (Korea, Republic of); Kurmaev, E.Z.; Finkelstein, L.D. [Institute of Metal Physics, Russian Academy of Sciences—Ural Division, 620990 Yekaterinburg (Russian Federation); Bazylewski, P.; Moewes, A.; Chang, G.S. [Department of Physics and Engineering Physics, University of Saskatchewan, 116 Science Place, Saskatoon, SK S7N 5E2 (Canada); Dinia, A., E-mail: aziz.dinia@ipcms.u-strasbg.fr [Institut de Physique et Chimie des Matériaux de Strasbourg (IPCMS), UMR 7504 UDS-CNRS (UDS-ECPM), 23 Rue du Loess, BP 43, F-67034 Strasbourg Cedex 2 (France)

    2013-10-31

    Cobalt and silver co-doping has been undertaken in ZnO thin films grown by pulsed laser deposition in order to investigate the ferromagnetic properties in ZnO-based diluted magnetic materials and to understand the eventual relation between ferromagnetism and charge carriers. Hall transport measurements reveal that Ag doping up to 5% leads to a progressive compensation of the native n-type carriers. The magnetization curves show ferromagnetic contributions for all samples at both 5 K and room temperature, decreasing with increasing the Ag concentration. First principles modeling of the possible configurations of Co–Ag defects suggests the formation of nano-clusters around interstitial Co impurity as the origin of the ferromagnetism. The Ag co-doping results in a decrease of the total spin of these clusters and of the Curie temperature. - Highlights: • We fabricate ZnO:Co films co-doped by Ag. • Reduction of the number of charge carriers in co-doped samples is observed. • Decrease of magnetic moment per Co in Ag-rich samples is observed. • Theoretical calculations support suppression of ferromagnetism in Ag-doped ZnO:Co.

  7. Continuous and rapid synthesis of nanoclusters and nanocrystals using scalable microstructured reactors

    Science.gov (United States)

    Jin, Hyung Dae

    Recent advances in nanocrystalline materials production are expected to impact the development of next generation low-cost and/or high efficiency solar cells. For example, semiconductor nanocrystal inks are used to lower the fabrication cost of the absorber layers of the solar cells. In addition, some quantum confined nanocrystals display electron-hole pair generation phenomena with greater than 100% quantum yield, called multiple exciton generation (MEG). These quantum dots could potentially be used to fabricate solar cells that exceed the Schockley-Queisser limit. At present, continuous syntheses of nanoparticles using microreactors have been reported by several groups. Microreactors have several advantages over conventional batch synthesis. One advantage is their efficient heat transfer and mass transport. Another advantage is the drastic reduction in the reaction time, in many cases, down to minutes from hours. Shorter reaction time not only provides higher throughput but also provide better particle size control by avoiding aggregation and by reducing probability of oxidizing precursors. In this work, room temperature synthesis of Au11 nanoclusters and high temperature synthesis of chalcogenide nanocrystals were demonstrated using continuous flow microreactors with high throughputs. A high rate production of phosphine-stabilized Au11 nanoclusters was achieved using a layer-up strategy which involves the use of microlamination architectures; the patterning and bonding of thin layers of material (laminae) to create a multilayered micromixer in the range of 25-250 mum thick was used to step up the production of phosphine-stabilized Au11 nanoclusters. Continuous production of highly monodispersed phosphine-stabilized Au 11 nanoclusters at a rate of about 11.8 [mg/s] was achieved using a microreactor with a size of 1.687cm3. This result is about 30,000 times over conventional batch synthesis according to production rate/per reactor volume. We have elucidated the

  8. Growth Mechanism of Vertically Aligned Ag(TCNQ) Nanowires

    Institute of Scientific and Technical Information of China (English)

    叶春暖; 曹冠英; 莫晓亮; 方方; 邢晓艳; 陈国荣; 孙大林

    2004-01-01

    Highly oriented Ag(TCNQ) nanowires have been prepared on Si(111) wafer at 100 ℃ by the vapour-transport reaction between silver and TCNQ without any other catalyst. X-ray diffraction analysis shows that the composition and crystal structure of the obtained nanostructure were Ag(TCNQ) crystalline. Most Ag(TCNQ) nanowires were grown uniformly and vertically on the substrate with diameters ranging from 50 to 300nm and the lengths measuring from 2 to 50 μm by scanning electron microscopy. Ag particles were observed on the substrate from pure thin Ag film heated under the same conditions as used in synthesizing the nanowires. Nucleation and short Ag(TCNQ) nanowires were prepared by controlling the reaction time, providing direct evidence of the growth mechanism in a nanometre scale. The growth process was explained according to the vapour-liquid-solid model.The gradient of temperature and the densely distributed Ag particles may contribute to the vertically aligned growth. These results will be helpful for the controllable synthesis of Ag(TCNQ) nanowires.

  9. Synthesis and characterization of ZnO-Ag core-shell nanocomposites with uniform thin silver layers

    International Nuclear Information System (INIS)

    This paper presents an investigation on the synthesis and characterization of ZnO-Ag core-shell nanocomposites. ZnO nanorods were employed as core material for Ag seeds, and subsequent nucleation and growth of reduced Ag by formaldehyde formed the ZnO-Ag core-shell nanocomposites. The ZnO-Ag nanocomposites were annealed at different temperature to improve the crystallinity and binding strength of Ag nanoparticles. The morphology, microstructure and optical properties of the ZnO-Ag core-shell nanocomposites were characterized by X-ray diffraction, field emission scanning electron microscopy, transmission electron microscopy, energy-dispersive X-ray spectroscopy, ultraviolet-visible (UV-vis) absorption and photoluminescence measurement. It was demonstrated that very small face-center-cubic Ag nanoparticles were coated on the surface of ZnO nanorods. The ultraviolet absorption and surface plasmon absorption band of ZnO-Ag core-shell nanocomposites exhibited some redshifts relative to pure ZnO nanorods and monometallic Ag nanoparticles. The coating of Ag nanocrystals onto the ZnO nanorods completely quenched the photoluminescence. These observations reflected the strong interfacial interaction between ZnO nanorods and Ag nanoparticles. The effect of Ag coating thickness on the morphology and optical properties of ZnO-Ag core-shell nanocomposites was also investigated. Moreover, the growth mechanism of ZnO-Ag core-shell nanocomposites was also proposed and discussed in detail.

  10. PE-CVD fabrication of germanium nanoclusters for memory applications

    Energy Technology Data Exchange (ETDEWEB)

    Duerkop, T. [Institut fuer Materialien und Bauelemente der Elektronik, Leibniz Universitaet Hannover, Appelstrasse 11a, 30167 Hannover (Germany)], E-mail: duerkop@mbe.uni-hannover.de; Bugiel, E. [Institut fuer Materialien und Bauelemente der Elektronik, Leibniz Universitaet Hannover, Appelstrasse 11a, 30167 Hannover (Germany); Costina, I. [IHP GmbH, Im Technologiepark 25, 15236 Frankfurt (Oder) (Germany); Ott, A.; Peibst, R.; Hofmann, K.R. [Institut fuer Materialien und Bauelemente der Elektronik, Leibniz Universitaet Hannover, Appelstrasse 11a, 30167 Hannover (Germany)

    2008-02-15

    We have investigated Ge nanoclusters (Ge-NC) embedded in silicon dioxide, whose fundamental properties promise improved characteristics in NC flash memory devices as compared to Si nanoclusters. We present a simple new method, based on plasma-enhanced CVD (PE-CVD) deposition of amorphous Ge (a-Ge) onto SiO{sub 2}, to create gate stacks with embedded Ge-NC at vertically well-controlled positions suitable for use in flash memory devices. This process minimizes the exposure of Ge to environmental influences by depositing a-Ge as well as a SiO{sub 2} cap layer in situ within the same deposition chamber. Subsequent high-temperature anneals compatible with the temperature budget of CMOS processing are used for the actual cluster formation. Variation of annealing temperature and duration of this step as well as the thickness of the initial Ge layer controls the average cluster radius and density, as determined by transmission electron microscopy (TEM). Measurements of electrical properties show the capability of samples with NC to store charge.

  11. Synthesis of highly fluorescent gold nanoclusters using egg white proteins.

    Science.gov (United States)

    Joseph, Dickson; Geckeler, Kurt E

    2014-03-01

    Gold nanoclusters (AuNCs) have gained interest during the recent years because of their low toxicity and finer size for the bioimaging and biolabeling applications in comparison to the semiconductor quantum dot analogues. Diverse materials such as sulfur compounds, peptides, dendrimers, proteins, etc., are exploited for the preparation of AuNCs. Henceforth, highly fluorescent, water-soluble, and few atom-containing gold nanoclusters are created using a rapid, straightforward, and green method. In this regard for the first time chicken egg white (CEW), one of the most unique materials, is utilized in an aqueous solution under basic conditions at physiological temperature for the preparation of AuNCs. Tyrosine and tryptophan amino acid residues are responsible for the conversion of Au ions to Au(0) under alkaline condtions. CEW contains four major proteins of which the main constituent protein, ovalbumin also leads to the formation of the AuNCs with a higher fluorescence emission compared to the CEW. The ratios between the different reaction partners are very crucial, along with temperature and time for the preparation of AuNCs with high photoluminescence emission. The limited vibrational motion of the proteins under alkaline condition and the bulkiness of the proteins help in the formation of AuNCs. PMID:24321847

  12. Heterogeneous nucleation of calcium oxalate on native oxide surfaces

    International Nuclear Information System (INIS)

    The aqueous deposition of calcium oxalate onto colloidal oxides has been studied as a model system for understanding heterogeneous nucleation processes of importance in biomimetic synthesis of ceramic thin films. Calcium oxalate nucleation has been monitored by measuring induction times for nucleation using Constant Composition techniques and by measuring nucleation densities on extended oxide surfaces using an atomic force microscope. Results show that the dependence of calcium oxalate nucleation on solution supersaturation fits the functional form predicted by classical nucleation theories. Anionic surfaces appear to promote nucleation better than cationic surfaces, lowering the effective energy barrier to heterogeneous nucleation

  13. Growth and Electronic Properties of Ag Nanoparticles on Reduced CeO2-x(111) Films

    Institute of Scientific and Technical Information of China (English)

    Dan-dan Kong; Yong-he Pan; Guo-dong Wang; Hai-bin Pan; Jun-fa Zhu

    2012-01-01

    Ag nanoparticles grown on reduced CeO2-x thin films have been studied by X-ray photoelectron spectroscopy and resonant photoelectron spectroscopy of the valence band to understand the effect of oxygen vacancies in the CeO2-x thin films on the growth and interfacial electronic properties of Ag.Ag grows as three-dimensional particles on the CeO2-x(111) surface at 300 K.Compared to the fully oxidized ceria substrate surface,Ag favors the growth of smaller particles with a larger particle density on the reduced ceria substrate surface,which can be attributed to the nucleation of Ag on oxygen vacancies.The binding energy of Ag3d increases when the Ag particle size decreases,which is mainly attributed to the final-state screening.The interfacial interaction between Ag and CeO2-x(111) is weak.The resonant enhancement of the 4f level of Ce3+ species in RPES indicates a partial Ce4+→Ce3+ reduction after Ag deposited on reduced ceria surface.The sintering temperature of Ag on CeO 1.85 (111) surface during annealing is a little higher than that of Ag on CeO2 (111) surface,indicating that Ag nanoparticles are more stable on the reduced ceria surface.

  14. Self-Assembled Superparamagnetic Iron Oxide Nanoclusters for Universal Cell Labeling and MRI

    Science.gov (United States)

    Chen, Shuzhen; Zhang, Jun; Jiang, Shengwei; Lin, Gan; Luo, Bing; Yao, Huan; Lin, Yuchun; He, Chengyong; Liu, Gang; Lin, Zhongning

    2016-05-01

    Superparamagnetic iron oxide (SPIO) nanoparticles have been widely used in a variety of biomedical applications, especially as contrast agents for magnetic resonance imaging (MRI) and cell labeling. In this study, SPIO nanoparticles were stabilized with amphiphilic low molecular weight polyethylenimine (PEI) in an aqueous phase to form monodispersed nanocomposites with a controlled clustering structure. The iron-based nanoclusters with a size of 115.3 ± 40.23 nm showed excellent performance on cellular uptake and cell labeling in different types of cells, moreover, which could be tracked by MRI with high sensitivity. The SPIO nanoclusters presented negligible cytotoxicity in various types of cells as detected using MTS, LDH, and flow cytometry assays. Significantly, we found that ferritin protein played an essential role in protecting stress from SPIO nanoclusters. Taken together, the self-assembly of SPIO nanoclusters with good magnetic properties provides a safe and efficient method for universal cell labeling with noninvasive MRI monitoring capability.

  15. Mechanical stability of titanium and plasma polymer nanoclusters in nanocomposite coatings

    International Nuclear Information System (INIS)

    The mechanical stability of nanoclusters embedded in nanocomposite coatings was investigated by scratch and wear tests supported by atomic force microscopy using surface topography mode. Titanium and plasma polymer nanoclusters were deposited on planar substrates (glass, titanium) using a magnetron-based gas aggregation cluster source. The deposited clusters were overcoated with a thin titanium film of different thicknesses to stabilize the position of the clusters in the nanocomposite coating. Nanotribological measurements were carried out to optimize the thickness of the overcoating film for sufficient interfacial adhesion of the cluster/film system. - Highlights: ► Titanium and plasma polymer nanoclusters were overcoated with thin titanium film. ► The mechanical stability of nanoclusters was characterized by nanotribological tests. ► The film thickness was optimized to stabilize the position of the clusters in coating

  16. Growth of gold nanoclusters and nanocrystals induced by lysozyme protein in thin film conformation

    Science.gov (United States)

    Bhowal, Ashim Chandra; Kundu, Sarathi

    2016-08-01

    Structures and growth behavior of gold nanoclusters and nanocrystals have been explored on thin films of globular protein lysozyme by using UV-vis and photoluminescence spectroscopy, X-ray diffraction (XRD) and atomic force microscopy (AFM). A simple and one-step environment friendly method has been used to grow nanocrystals on protein surface from HAuCl4 solution. It has been found that if different interaction times are provided between lysozyme films and HAuCl4 solution, then initially formed tiny gold nanoclusters on protein surface transform into nanocrystals with the passage of time. XRD analysis shows the formation of faced-centered cubic lattice along (1 1 1) crystalline direction and AFM images confirm the presence of circular, rod-like, triangular and hexagonal crystal structures. Langmuir-like growth behavior has been identified for both the gold nanoclusters and nanocrystals formation induced by the lysozyme films, however, nanocrystal growth is relatively slower than nanocluster.

  17. Mechanical stability of titanium and plasma polymer nanoclusters in nanocomposite coatings

    Energy Technology Data Exchange (ETDEWEB)

    Palesch, E. [Institute of Materials Chemistry, Brno University of Technology, Brno (Czech Republic); Marek, A. [HVM Plasma, spol. s r.o., Prague (Czech Republic); Solar, P.; Kylian, O. [Faculty of Mathematics and Physics, Charles University, Prague (Czech Republic); Vyskocil, J. [HVM Plasma, spol. s r.o., Prague (Czech Republic); Biederman, H. [Faculty of Mathematics and Physics, Charles University, Prague (Czech Republic); Cech, V., E-mail: cech@fch.vutbr.cz [Institute of Materials Chemistry, Brno University of Technology, Brno (Czech Republic)

    2013-10-01

    The mechanical stability of nanoclusters embedded in nanocomposite coatings was investigated by scratch and wear tests supported by atomic force microscopy using surface topography mode. Titanium and plasma polymer nanoclusters were deposited on planar substrates (glass, titanium) using a magnetron-based gas aggregation cluster source. The deposited clusters were overcoated with a thin titanium film of different thicknesses to stabilize the position of the clusters in the nanocomposite coating. Nanotribological measurements were carried out to optimize the thickness of the overcoating film for sufficient interfacial adhesion of the cluster/film system. - Highlights: ► Titanium and plasma polymer nanoclusters were overcoated with thin titanium film. ► The mechanical stability of nanoclusters was characterized by nanotribological tests. ► The film thickness was optimized to stabilize the position of the clusters in coating.

  18. A colloidal assembly approach to synthesize magnetic porous composite nanoclusters for efficient protein adsorption

    Science.gov (United States)

    Yang, Qi; Lan, Fang; Yi, Qiangying; Wu, Yao; Gu, Zhongwei

    2015-10-01

    A combination strategy of the inverse emulsion crosslinking approach and the colloidal assembly technique is first proposed to synthesize Fe3O4/histidine composite nanoclusters as new-type magnetic porous nanomaterials. The nanoclusters possess uniform morphology, high magnetic content and excellent protein adsorption capacity, exhibiting their great potential for bio-separation.A combination strategy of the inverse emulsion crosslinking approach and the colloidal assembly technique is first proposed to synthesize Fe3O4/histidine composite nanoclusters as new-type magnetic porous nanomaterials. The nanoclusters possess uniform morphology, high magnetic content and excellent protein adsorption capacity, exhibiting their great potential for bio-separation. Electronic supplementary information (ESI) available: Experimental details. See DOI: 10.1039/c5nr05800g

  19. Nanowires and nanoneedles nucleation on vicinal substrate

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xu, E-mail: zhangxubetter@gmail.com [Henan Key Laboratory of Laser and Opto-electric Information Technology, School of Information Engineering, Zhengzhou University, Zhengzhou 450052 (China); Xie, Dan; Huang, Genling [Zhengzhou Railway Vocational and Technical College, Zhengzhou 450052 (China); Sun, Xiao-Hong [Henan Key Laboratory of Laser and Opto-electric Information Technology, School of Information Engineering, Zhengzhou University, Zhengzhou 450052 (China)

    2015-01-01

    An analytic stress-driven nucleation model of nanowires (NWs) and nanoneedles (NNs) growing on a mismatched vicinal substrate is proposed. It is demonstrated that the formation enthalpy of NWs and NNs is a function of three independent variables, the base radius, aspect ratio and miscut angle of the vicinal surface. Theoretical analysis shows that the minimum nucleation barrier of an island decreases with increment of substrate misorientation, which means the nucleation of islands on a vicinal substrate is more favorable than that on a flat substrate.

  20. Two-color SERS microscopy for protein co-localization in prostate tissue with primary antibody-protein A/G-gold nanocluster conjugates

    Science.gov (United States)

    Salehi, Mohammad; Schneider, Lilli; Ströbel, Philipp; Marx, Alexander; Packeisen, Jens; Schlücker, Sebastian

    2014-01-01

    SERS microscopy is a novel staining technique in immunohistochemistry, which is based on antibodies labeled with functionalized noble metal colloids called SERS labels or nanotags for optical detection. Conventional covalent bioconjugation of these SERS labels cannot prevent blocking of the antigen recognition sites of the antibody. We present a rational chemical design for SERS label-antibody conjugates which addresses this issue. Highly sensitive, silica-coated gold nanoparticle clusters as SERS labels are non-covalently conjugated to primary antibodies by using the chimeric protein A/G, which selectively recognizes the Fc part of antibodies and therefore prevents blocking of the antigen recognition sites. In proof-of-concept two-color imaging experiments for the co-localization of p63 and PSA on non-neoplastic prostate tissue FFPE specimens, we demonstrate the specificity and signal brightness of these rationally designed primary antibody-protein A/G-gold nanocluster conjugates.SERS microscopy is a novel staining technique in immunohistochemistry, which is based on antibodies labeled with functionalized noble metal colloids called SERS labels or nanotags for optical detection. Conventional covalent bioconjugation of these SERS labels cannot prevent blocking of the antigen recognition sites of the antibody. We present a rational chemical design for SERS label-antibody conjugates which addresses this issue. Highly sensitive, silica-coated gold nanoparticle clusters as SERS labels are non-covalently conjugated to primary antibodies by using the chimeric protein A/G, which selectively recognizes the Fc part of antibodies and therefore prevents blocking of the antigen recognition sites. In proof-of-concept two-color imaging experiments for the co-localization of p63 and PSA on non-neoplastic prostate tissue FFPE specimens, we demonstrate the specificity and signal brightness of these rationally designed primary antibody-protein A/G-gold nanocluster conjugates

  1. Dynamical viscosity of nucleating bubbles

    CERN Document Server

    Alamoudi, S M; Boyanovsky, D; Aragão de Carvalho, C; Fraga, E S; Jorás, S E; Takakura, F I

    1999-01-01

    We study the viscosity corrections to the growth rate of nucleating bubbles in a first order phase transition in scalar field theory. We obtain the non-equilibrium equation of motion of the coordinate that describes small departures from the critical bubble and extract the growth rate consistently in weak coupling and in the thin wall limit. Viscosity effects arise from the interaction of this coordinate with the stable quantum and thermal fluctuations around a critical bubble. In the case of 1+1 dimensions we provide an estimate for the growth rate that depends on the details of the free energy functional. In 3+1 dimensions we recognize robust features that are a direct consequence of the thin wall approximation and give the leading viscosity corrections.These are long-wavelength hydrodynamic fluctuations that describe surface waves, quasi-Goldstone modes which are related to ripples on interfaces in phase ordered Ising-like systems. We discuss the applicability of our results to describe the growth rate of ...

  2. Ice Nucleation from Ship Emissions

    Science.gov (United States)

    Thomson, E. S.; Weber, D.; Tuomi, J.; Pettersson, J.; Bingemer, H. G.

    2015-12-01

    Atmospheric ice particles play a significant role in many atmospheric processes and are central to the role of clouds in determining the global radiative balance. Atmospheric ice originates when Ice Nucleating Particles (INP) lower the free energy barrier to phase transformation. The Earth's polar regions are well isolated from the middle and lower latitudes and thus have limited access to INP, and therefore small changes in terms of regional sources or large scale transport of particulate may have significant impacts on polar ice cloud formation. Here we describe field measurements of INP collected in the Port of Gothenburg, Gothenburg, Sweden. The port is the largest Scandinavian seaport and thus has heavy and diverse ocean vessel traffic. Unique to this study was the ability to isolate the INP contribution directly from the ship traffic by utilizing a sampling method that nearly simultaneously captured transiting ship plumes and the background aerosol. A small but potentially significant increase in IN from marine vessels was observed over two consecutive years. The results have implications for Arctic and global climate in the context of growing global commerce and trans-polar transport.

  3. Multifunctional Dumbbell-Shaped DNA-Templated Selective Formation of Fluorescent Silver Nanoclusters or Copper Nanoparticles for Sensitive Detection of Biomolecules.

    Science.gov (United States)

    Chen, Jinyang; Ji, Xinghu; Tinnefeld, Philip; He, Zhike

    2016-01-27

    In this work, a multifunctional template for selective formation of fluorescent silver nanoclusters (AgNCs) or copper nanoparticles (CuNPs) is put forward. This dumbbell-shaped (DS) DNA template is made up of two cytosine hairpin loops and an adenine-thymine-rich double-helical stem which is closed by the loops. The cytosine loops act as specific regions for the growth of AgNCs, and the double-helical stem serves as template for the CuNPs formation. By carefully investigating the sequence and length of DS DNA, we present the optimal design of the template. Benefiting from the smart design and facile synthesis, a simple, label-free, and ultrasensitive fluorescence strategy for adenosine triphosphate (ATP) detection is proposed. Through the systematic comparison, it is found that the strategy based on CuNPs formation is more sensitive for ATP assay than that based on AgNCs synthesis, and the detection limitation was found to be 81 pM. What's more, the CuNPs formation-based method is successfully applied in the detection of ATP in human serum as well as the determination of cellular ATP. In addition to small target molecule, the sensing strategy was also extended to the detection of biomacromolecule (DNA), which illustrates the generality of this biosensor. PMID:26719979

  4. Silver nanocluster/silica composite coatings obtained by sputtering for antibacterial applications

    OpenAIRE

    Miola, Marta; Perero, Sergio; Ferraris, Sara; Verne, Enrica; Ferraris, Monica; Baino, Francesco; Balagna, Cristina

    2012-01-01

    Silver nanocluster silica composite coatings were deposited by radio frequency co-sputtering technique on several substrates. This versatile method allows tailoring of silver content and antibacterial behaviour of coatings deposited on glasses, ceramics, metals and polymers for several applications. Coating morphology and composition as well as nanocluster size were analyzed by means of UV-Visible absorption, X-ray diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM), electr...

  5. Assembly, Structure and Properties of DNA Programmable Nanoclusters

    Science.gov (United States)

    Chi, Cheng

    Finite size nanoclusters can be viewed as a nanoscale analogue of molecules. Just as molecules, synthesized from atoms, give access to new properties, clusters composed of nanoparticles modulate of their functional properties of nanoparticles. In contrast to synthetic chemistry which is a mature field, the creation of nanoscale clusters with well-defined architectures is a new and challenging area of research. My work explores how to assemble model systems of nanoclusters using DNA-programmable interparticle linkages. The simplest clusters of two particles, dimers, allow one to investigate fundamental effects in these systems. Such clusters serve as a versatile platform to understand DNA-mediated interactions, especially in the non-trivial regime where the nanoparticle and DNA chains are comparable in size. I systematically studied a few fundamental questions as follows: Firstly, we examined the structure of nanoparticle dimers in detail by a combination of X-ray scattering experiments and molecular simulations. We found that, for a given DNA length, the interparticle separation within the dimer is controlled primarily by the number of linking DNA. We summarized our findings in a simple model that captures the interplay of the number of DNA bridges, their length, the particle's curvature and the excluded volume effects. We demonstrated the applicability of the model to our results, without any free parameters. As a consequence, the increase of dimer separation with increasing temperature can be understood as a result of changing the number of connecting DNA. Later, we investigated the self-assembly process of DNA-functionalized particles in the presence of various lengths of the DNA linkage strands using 3 different pathways. We observed a high yield of dimer formation when significantly long linkers were applied. Small Angle X-ray Scattering revealed two configurations of the small clusters by different pathways. In one case, the interparticle distance increases

  6. Synthesis of selenolate-protected Au18(SeC6H5)14 nanoclusters

    Science.gov (United States)

    Xu, Qian; Wang, Shuxin; Liu, Zhao; Xu, Guoyong; Meng, Xiangming; Zhu, Manzhou

    2013-01-01

    This work reports the first synthesis of selenophenolate-protected Au18(SePh)14 nanoclusters. This cluster exhibits distinct differences from its thiolate analogue in terms of optical absorption properties. The Au18(SePh)14 nanoclusters were obtained via a controlled reaction of Au25(SCH2CH2Ph)18 with selenophenol. Electrospray ionization time-of-flight mass spectrometry (ESI-TOF-MS) revealed the crude product to contain predominantly Au18(SePh)14 nanoclusters, and side products include Au15(SePh)13, Au19(SePh)15 and Au20(SePh)16. High-performance liquid chromatography (HPLC) was employed to isolate Au18(SePh)14 nanoclusters. The results of thermogravimetric analysis (TGA), elemental analysis (EA), and 1H/13C NMR spectroscopy confirmed the cluster composition. To the best of our knowledge, this is the first report of selenolate-protected Au18 nanoclusters. Future theoretical and X-ray crystallographic work will reveal the geometric structure and the nature of selenolate-gold bonding in the nanocluster.

  7. Laser-assisted atom probe tomography investigation of magnetic FePt nanoclusters: First experiments

    Energy Technology Data Exchange (ETDEWEB)

    Folcke, E.; Larde, R. [Groupe de Physique des Materiaux, UMR CNRS 6634, Universite de Rouen, 76801 Saint Etienne du Rouvray (France); Le Breton, J.M., E-mail: jean-marie.lebreton@univ-rouen.fr [Groupe de Physique des Materiaux, UMR CNRS 6634, Universite de Rouen, 76801 Saint Etienne du Rouvray (France); Gruber, M.; Vurpillot, F. [Groupe de Physique des Materiaux, UMR CNRS 6634, Universite de Rouen, 76801 Saint Etienne du Rouvray (France); Shield, J.E.; Rui, X. [Department of Mechanical and Materials Engineering, Nebraska Center for Materials and Nanoscience, University of Nebraska, N104 WSEC, Lincoln, NE 68588 (United States); Patterson, M.M. [Department of Physics, University of Wisconsin-Stout, Menomonie, WI 54751 (United States)

    2012-03-15

    Highlights: Black-Right-Pointing-Pointer FePt nanoclusters dispersed in a Cr matrix were studied by atom probe tomography. Black-Right-Pointing-Pointer Simulated experiments were conducted to study the artefacts of the analysis. Black-Right-Pointing-Pointer In FePt nanoclusters, Fe and Pt are present in equiatomic proportions. Black-Right-Pointing-Pointer FePt nanoclusters are homogeneous, no core-shell structure is observed. - Abstract: FePt nanoclusters dispersed in a Cr matrix have been investigated by laser-assisted atom probe tomography. The results were analysed according to simulated evaporation experiments. Three-dimensional (3D) reconstructions reveal the presence of nanoclusters roughly spherical in shape, with a size in good agreement with previous transmission electron microscopy observations. Some clusters appear to be broken up after the evaporation process due to the fact that the Cr matrix has a lower evaporation field than Fe and Pt. It is thus shown that the observed FePt nanoclusters are chemically homogeneous. They contain Fe and Pt in equiatomic proportions, with no core-shell structure observed.

  8. Enhancement of the Hydrogen Evolution Reaction from Ni-MoS2 Hybrid Nanoclusters

    Science.gov (United States)

    2016-01-01

    This report focuses on a novel strategy for the preparation of transition metal–MoS2 hybrid nanoclusters based on a one-step, dual-target magnetron sputtering, and gas condensation process demonstrated for Ni-MoS2. Aberration-corrected STEM images coupled with EDX analysis confirms the presence of Ni and MoS2 in the hybrid nanoclusters (average diameter = 5.0 nm, Mo:S ratio = 1:1.8 ± 0.1). The Ni-MoS2 nanoclusters display a 100 mV shift in the hydrogen evolution reaction (HER) onset potential and an almost 3-fold increase in exchange current density compared with the undoped MoS2 nanoclusters, the latter effect in agreement with reported DFT calculations. This activity is only reached after air exposure of the Ni-MoS2 hybrid nanoclusters, suggested by XPS measurements to originate from a Ni dopant atoms oxidation state conversion from metallic to 2+ characteristic of the NiO species active to the HER. Anodic stripping voltammetry (ASV) experiments on the Ni-MoS2 hybrid nanoclusters confirm the presence of Ni-doped edge sites and reveal distinctive electrochemical features associated with both doped Mo-edge and doped S-edge sites which correlate with both their thermodynamic stability and relative abundance.

  9. Kinetical and thermodynamical parametars of crystallization of iPP nucleated with mixed α-nucleators

    OpenAIRE

    Janevski, Aco; Bogoeva-Gaceva, Gordana

    2013-01-01

    It is well known that the presence of a solid surface (substrate) in contact with thermoplastic polymers during the crystallization from the melt, generally favors the heterogeneous nucleation. Isothermal and nonisothermal crystallization of isotactic polypropylene (iPP) nucleated with 0.1 %wt. talc (average dimension of 20 µ) (assign. PPT), 0.1 %wt. calcite (average dimension of 5µ) (assign. PPC) and polymer nucleated with 0.1 %wt. talc plus 0.1 % wt. calcite (assign. PPTC), were studied...

  10. Grain nucleation and growth during phase transformations

    DEFF Research Database (Denmark)

    Offerman, S.E.; Dijk, N.H. van; Sietsma, J.;

    2002-01-01

    of individual grains. Our measurements show that the activation energy for grain nucleation is at least two orders of magnitude smaller than that predicted by thermodynamic models. The observed growth curves of the newly formed grains confirm the parabolic growth model but also show three...... fundamentally different types of growth. Insight into the grain nucleation and growth mechanisms during phase transformations contributes to the development of materials with optimal mechanical properties....

  11. Ice nucleation by water-soluble macromolecules

    Science.gov (United States)

    Pummer, B. G.; Budke, C.; Augustin-Bauditz, S.; Niedermeier, D.; Felgitsch, L.; Kampf, C. J.; Huber, R. G.; Liedl, K. R.; Loerting, T.; Moschen, T.; Schauperl, M.; Tollinger, M.; Morris, C. E.; Wex, H.; Grothe, H.; Pöschl, U.; Koop, T.; Fröhlich-Nowoisky, J.

    2015-04-01

    Cloud glaciation is critically important for the global radiation budget (albedo) and for initiation of precipitation. But the freezing of pure water droplets requires cooling to temperatures as low as 235 K. Freezing at higher temperatures requires the presence of an ice nucleator, which serves as a template for arranging water molecules in an ice-like manner. It is often assumed that these ice nucleators have to be insoluble particles. We point out that also free macromolecules which are dissolved in water can efficiently induce ice nucleation: the size of such ice nucleating macromolecules (INMs) is in the range of nanometers, corresponding to the size of the critical ice embryo. As the latter is temperature-dependent, we see a correlation between the size of INMs and the ice nucleation temperature as predicted by classical nucleation theory. Different types of INMs have been found in a wide range of biological species and comprise a variety of chemical structures including proteins, saccharides, and lipids. Our investigation of the fungal species Acremonium implicatum, Isaria farinosa, and Mortierella alpina shows that their ice nucleation activity is caused by proteinaceous water-soluble INMs. We combine these new results and literature data on INMs from fungi, bacteria, and pollen with theoretical calculations to develop a chemical interpretation of ice nucleation and water-soluble INMs. This has atmospheric implications since many of these INMs can be released by fragmentation of the carrier cell and subsequently may be distributed independently. Up to now, this process has not been accounted for in atmospheric models.

  12. Direct simulations of homogeneous bubble nucleation: Agreement with classical nucleation theory and no local hot spots.

    Science.gov (United States)

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

    2014-11-01

    We present results from direct, large-scale molecular dynamics simulations of homogeneous bubble (liquid-to-vapor) nucleation. The simulations contain half a billion Lennard-Jones atoms and cover up to 56 million time steps. The unprecedented size of the simulated volumes allows us to resolve the nucleation and growth of many bubbles per run in simple direct micro-canonical simulations while the ambient pressure and temperature remain almost perfectly constant. We find bubble nucleation rates which are lower than in most of the previous, smaller simulations. It is widely believed that classical nucleation theory (CNT) generally underestimates bubble nucleation rates by very large factors. However, our measured rates are within two orders of magnitude of CNT predictions; only at very low temperatures does CNT underestimate the nucleation rate significantly. Introducing a small, positive Tolman length leads to very good agreement at all temperatures, as found in our recent vapor-to-liquid nucleation simulations. The critical bubbles sizes derived with the nucleation theorem agree well with the CNT predictions at all temperatures. Local hot spots reported in the literature are not seen: Regions where a bubble nucleation event will occur are not above the average temperature, and no correlation of temperature fluctuations with subsequent bubble formation is seen.

  13. Bacterial ice nucleation: significance and molecular basis.

    Science.gov (United States)

    Gurian-Sherman, D; Lindow, S E

    1993-11-01

    Several bacterial species are able to catalyze ice formation at temperatures as warm as -2 degrees C. These microorganisms efficiently catalyze ice formation at temperatures much higher than most organic or inorganic substances. Because of their ubiquity on the surfaces of frost-sensitive plants, they are responsible for initiating ice formation, which results in frost injury. The high temperature of ice catalysis conferred by bacterial ice nuclei makes them useful in ice nucleation-limited processes such as artificial snow production, the freezing of some food products, and possibly in future whether modification schemes. The rarity of other ice nuclei active at high subfreezing temperature, and the ease and sensitivity with which ice nuclei can be quantified, have made the use of a promoterless bacterial ice nucleation gene valuable as a reporter of transcription. Target genes to which this promoter is fused can be used in cells in natural habitats. Warm-temperature ice nucleation sites have also been extensively studied at a molecular level. Nucleation sites active at high temperatures (above -5 degrees C) are probably composed of bacterial ice nucleation protein molecules that form functionally aligned aggregates. Models of ice nucleation proteins predict that they form a planar array of hydrogen binding groups that closely complement that of an ice crystal face. Moreover, interdigitation of these molecules may produce a large contiguous template for ice formation.

  14. Bacterial ice nucleation: significance and molecular basis.

    Science.gov (United States)

    Gurian-Sherman, D; Lindow, S E

    1993-11-01

    Several bacterial species are able to catalyze ice formation at temperatures as warm as -2 degrees C. These microorganisms efficiently catalyze ice formation at temperatures much higher than most organic or inorganic substances. Because of their ubiquity on the surfaces of frost-sensitive plants, they are responsible for initiating ice formation, which results in frost injury. The high temperature of ice catalysis conferred by bacterial ice nuclei makes them useful in ice nucleation-limited processes such as artificial snow production, the freezing of some food products, and possibly in future whether modification schemes. The rarity of other ice nuclei active at high subfreezing temperature, and the ease and sensitivity with which ice nuclei can be quantified, have made the use of a promoterless bacterial ice nucleation gene valuable as a reporter of transcription. Target genes to which this promoter is fused can be used in cells in natural habitats. Warm-temperature ice nucleation sites have also been extensively studied at a molecular level. Nucleation sites active at high temperatures (above -5 degrees C) are probably composed of bacterial ice nucleation protein molecules that form functionally aligned aggregates. Models of ice nucleation proteins predict that they form a planar array of hydrogen binding groups that closely complement that of an ice crystal face. Moreover, interdigitation of these molecules may produce a large contiguous template for ice formation. PMID:8224607

  15. Nucleation and Growth of Tin in Pb-Free Solder Joints

    Science.gov (United States)

    Gourlay, C. M.; Belyakov, S. A.; Ma, Z. L.; Xian, J. W.

    2015-08-01

    The solidification of Pb-free solder joints is overviewed with a focus on the formation of the βSn grain structure and grain orientations. Three solders commonly used in electronics manufacturing, Sn-3Ag-0.5Cu, Sn-3.5Ag, and Sn-0.7Cu-0.05Ni, are used as case studies to demonstrate that (I) growth competition between primary dendrites and eutectic fronts during growth in undercooled melts is important in Pb-free solders and (II) a metastable eutectic containing NiSn4 forms in Sn-3.5Ag/Ni joints. Additionally, it is shown that the substrate (metallization) has a strong influence on the nucleation and growth of tin. We identify Co, Pd, and Pt substrates as having the potential to control solidification and microstructure formation. In the case of Pd and Pt substrates, βSn is shown to nucleate on the PtSn4 or PdSn4 intermetallic compound (IMC) reaction layer at relatively low undercooling of ~4 K, even for small solder ball diameters down to <200 μm.

  16. Simultaneous expression and transportation of insulin by supramolecular polysaccharide nanocluster

    Science.gov (United States)

    Zhang, Yu-Hui; Zhang, Ying-Ming; Zhao, Qi-Hui; Liu, Yu

    2016-03-01

    Drug/gene transportation systems with stimuli-responsive release behaviors are becoming research hotspots in biochemical and biomedical fields. In this work, a glucose-responsive supramolecular nanocluster was successfully constructed by the intermolecular complexation of phenylboronic acid modified β-cyclodextrin with adamantane modified polyethylenimine, which could be used as a biocompatible carrier for insulin and pCMV3-C-GFPSpark-Ins DNA which could express insulin co-delivery. Benefiting from the response capability of phenylboronic acid moiety toward glucose, the encapsulated insulin could be specifically released and the corresponding targeted DNA could efficiently express insulin in HepG2 cell, accompanied by the high-level insulin release in vitro. Our results demonstrate that the simultaneous insulin drug delivery and insulin gene transfection in a controlled mode may have great potential in the clinical diabetes treatments.

  17. Electrochemical nucleation of palladium on graphene: A kinetic study with an emphasis on hydrogen co-reduction

    International Nuclear Information System (INIS)

    Highlights: ► Simultaneous reduction of Pd and H on graphene was kinetically investigated. ► There is no thermodynamic barrier against nucleation of Pd on graphene. ► Nucleation rate of Pd on graphene is 100 times higher than glassy carbon substrate. - Abstract: The nucleation mechanisms of palladium nanoparticles from 1 mM [PdCl4]2− + 1 M NH4Cl electrolyte (pH = 3.4) on graphene surface were studied using cyclic voltammetry, chronoamperometry and field emission scanning electron microscopy (FESEM). It was found that due to high catalytic properties of Pd nanoparticles/graphene surface, the hydrogen co-reduction during Pd electrodeposition occurs. The kinetics of electrochemical nucleation and growth of Pd nanoparticles was also evaluated using Mirkin–Nilov–Heerman–Tarallo (MNHT) model. Regarding the simultaneous reduction of hydrogen ion on the surface of the growing Pd nuclei, a modified model developed by Palomar-Pardavé et al. [M. Palomar-Pardavé, B.R. Scharifker, E.M. Arce, M. Romero-Romo, Electrochimica Acta 50 (2005) 4736] was employed to estimate the kinetic parameters of the process. It was shown that the steady state nucleation rate (Ist) and the rate constant of hydrogen reduction (kH) increase exponentially with a potential shift to more cathodic values. Using the relation between Gibbs free energy of formation for a critical nucleus (ΔGc) and Ist, it is concluded that there is no thermodynamic barrier against nucleation of Pd on graphene in the electrode potential range studied in this work (E = −0.3 to −0.5 V vs. Ag/AgCl).

  18. Energetic Study of Helium Cluster Nucleation and Growth in 14YWT through First Principles

    Directory of Open Access Journals (Sweden)

    Yingye Gan

    2016-01-01

    Full Text Available First principles calculations have been performed to energetically investigate the helium cluster nucleation, formation and growth behavior in the nano-structured ferritic alloy 14YWT. The helium displays strong affinity to the oxygen:vacancy (O:Vac pair. By investigating various local environments of the vacancy, we find that the energy cost for He cluster growth increases with the appearance of solutes in the reference unit. He atom tends to join the He cluster in the directions away from the solute atoms. Meanwhile, the He cluster tends to expand in the directions away from the solute atoms. A growth criterion is proposed based on the elastic instability strain of the perfect iron lattice in order to determine the maximum number of He atoms at the vacancy site. We find that up to seven He atoms can be trapped at a single vacancy. However, it is reduced to five if the vacancy is pre-occupied by an oxygen atom. Furthermore, the solute atoms within nanoclusters, such as Ti and Y, will greatly limit the growth of the He cluster. A migration energy barrier study is performed to discuss the reduced mobility of the He atom/He cluster in 14YWT.

  19. Energetic Study of Helium Cluster Nucleation and Growth in 14YWT through First Principles

    Energy Technology Data Exchange (ETDEWEB)

    Gan, Yingye [Clemson University; Zhao, Huijuan [Clemson University; Hoelzer, David T [ORNL; Yun, Di [Argonne National Laboratory (ANL); Yun, Di [Shanghai Jiao Tong University, China

    2016-01-01

    First principles calculations have been performed to energetically investigate the helium cluster nucleation, formation and growth behavior in the nano-structured ferritic alloy 14YWT. The helium displays strong affinity to the oxygen:vacancy (O:Vac) pair. By investigating various local environments of the vacancy, we find that the energy cost for He cluster growth increases with the appearance of solutes in the reference unit. He atom tends to join the He cluster in the directions away from the solute atoms. Meanwhile, the He cluster tends to expand in the directions away from the solute atoms. A growth criterion is proposed based on the elastic instability strain of the perfect iron lattice in order to determine the maximum number of He atoms at the vacancy site. We find that up to seven He atoms can be trapped at a single vacancy. However, it is reduced to five if the vacancy is pre-occupied by an oxygen atom. Furthermore, the solute atoms within nanoclusters, such as Ti and Y, will greatly limit the growth of the He cluster. A migration energy barrier study is performed to discuss the reduced mobility of the He atom/He cluster in 14YWT.

  20. AGS experiments -- 1991, 1992, 1993

    International Nuclear Information System (INIS)

    This report contains: (1) FY 1993 AGS schedule as run; (2) FY 1994--95 AGS schedule; (3) AGS experiments ≥ FY 1993 (as of 30 March 1994); (4) AGS beams 1993; (5) AGS experimental area FY 1991 physics program; (6) AGS experimental area FY 1992 physics program; (7) AGS experimental area FY 1993 physics program; (8) AGS experimental area FY 1994 physics program (planned); (9) a listing of experiments by number; (10) two-page summaries of each experiment; (11) listing of publications of AGS experiments; and (12) listing of AGS experiments

  1. AGS experiments - 1994, 1995, 1996

    Energy Technology Data Exchange (ETDEWEB)

    Depken, J.C.

    1997-01-01

    This report contains the following information on the Brookhaven AGS Accelerator complex: FY 1996 AGS schedule as run; FY 1997 AGS schedule (working copy); AGS beams 1997; AGS experimental area FY 1994 physics program; AGS experimental area FY 1995 physics program; AGS experimental area FY 1996 physics program; AGS experimental area FY 1997 physics program (in progress); a listing of experiments by number; two-phage summaries of each experiment begin here, also ordered by number; listing of publications of AGS experiments begins here; and listing of AGS experimenters begins here.

  2. AGS experiments - 1994, 1995, 1996

    International Nuclear Information System (INIS)

    This report contains the following information on the Brookhaven AGS Accelerator complex: FY 1996 AGS schedule as run; FY 1997 AGS schedule (working copy); AGS beams 1997; AGS experimental area FY 1994 physics program; AGS experimental area FY 1995 physics program; AGS experimental area FY 1996 physics program; AGS experimental area FY 1997 physics program (in progress); a listing of experiments by number; two-phage summaries of each experiment begin here, also ordered by number; listing of publications of AGS experiments begins here; and listing of AGS experimenters begins here

  3. High-yield clicking and dissociation of doxorubicin nanoclusters exhibiting differential cellular uptakes and imaging.

    Science.gov (United States)

    Kim, Hye Sung; Yoon, Sujin; Son, Young Ju; Park, Yeonju; Jung, Young Mee; Yoo, Hyuk Sang

    2015-11-10

    Gold nanoparticles (AuNPs) and quantum dots (Qdots) were clicked into doxorubicin nanoclusters that showed enzyme-dependent dissociation behaviors for differential cellular uptakes and imaging. The AuNPs were co-functionalized with doxorubicin (DOX) and azide-terminated polymer (DOX/azide@AuNP), while an enzyme-cleavable peptide and alkyne-terminated polymer were sequentially conjugated on Qdot surface (Alkyne-MMP@Qdot). Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, and fluorescence imaging detected the azide and alkyne groups on DOX/azide@AuNP and Alkyne-MMP@Qdot, respectively, and the click-reactivity was also confirmed. In the presence of the catalyst, two nanoparticles were clicked to doxorubicin nanoclusters, which increased the volume of the particles ca. 343-fold within 30min. Upon matrix metalloproteinase-2 (MMP-2) digestion, the nanoclusters were clearly dissociated into smaller particles, and the fluorescence of the quenched Qdot was also recovered, which suggests that the nanoclusters respond to MMP-2 concentrations and can thus be employed for cancer imaging. Confocal microscopy and an elemental analysis of the cancer cells revealed that the cellular uptakes of doxorubicin nanoclusters significantly increased at higher MMP-2 concentrations, and doxorubicin could also be cleaved for anti-cancer effects. In vivo and in vitro cytotoxicity assay accordingly showed that the cytotoxicity of doxorubicin nanoclusters against cancer cells increased in MMP-2-rich environments such as tumor site. Thus, these nanoclusters containing DOX/azide@AuNP and Alkyne-MMP@Qdot are expected to be multifunctional carriers for targeted anti-cancer treatments and imaging. PMID:26315815

  4. Molecular Ice Nucleation Activity of Birch Pollen

    Science.gov (United States)

    Felgitsch, Laura; Bichler, Magdalena; Häusler, Thomas; Weiss, Victor U.; Marchetti-Deschmann, Martina; Allmaier, Günter; Grothe, Hinrich

    2015-04-01

    Heterogeneous ice nucleation plays a major part in ecosystem and climate. Due to the triggering of ice cloud formation it influences the radiation balance of the earth, but also on the ground it can be found to be important in many processes of nature. So far the process of heterogeneous ice nucleation is not fully understood and many questions remain to be answered. Biological ice nucleation is hereby from great interest, because it shows the highest freezing temperatures. Several bacteria and fungi act as ice nuclei. A famous example is Pseudomonas syringae, a bacterium in commercial use (Snomax®), which increases the freezing from homogeneous freezing temperatures of approx. -40° C (for small volumes as in cloud droplets) to temperatures up to -2° C. In 2001 it was found that birch pollen can trigger ice nucleation (Diehl et al. 2001; Diehl et al. 2002). For a long time it was believed that this is due to macroscopic features of the pollen surface. Recent findings of Bernhard Pummer (2012) show a different picture. The ice nuclei are not attached on the pollen surface directly, but on surface material which can be easily washed off. This shows that not only the surface morphology, but also specific molecules or molecular structures are responsible for the ice nucleation activity of birch pollen. With various analytic methods we work on elucidating the structure of these molecules as well as the mechanism with which they trigger ice nucleation. To solve this we use various instrumental analytic techniques like Nuclear Magnetic Resonance spectroscopy (NMR), Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry (MALDI-MS), and Gas-phase Electrophoretic Mobility Molecular Analysis (GEMMA). Also standard techniques like various chromatographic separation techniques and solvent extraction are in use. We state here that this feature might be due to the aggregation of small molecules, with agglomerates showing a specific surface structure. Our results

  5. Microtubule nucleation and organization in dendrites.

    Science.gov (United States)

    Delandre, Caroline; Amikura, Reiko; Moore, Adrian W

    2016-07-01

    Dendrite branching is an essential process for building complex nervous systems. It determines the number, distribution and integration of inputs into a neuron, and is regulated to create the diverse dendrite arbor branching patterns characteristic of different neuron types. The microtubule cytoskeleton is critical to provide structure and exert force during dendrite branching. It also supports the functional requirements of dendrites, reflected by differential microtubule architectural organization between neuron types, illustrated here for sensory neurons. Both anterograde and retrograde microtubule polymerization occur within growing dendrites, and recent studies indicate that branching is enhanced by anterograde microtubule polymerization events in nascent branches. The polarities of microtubule polymerization events are regulated by the position and orientation of microtubule nucleation events in the dendrite arbor. Golgi outposts are a primary microtubule nucleation center in dendrites and share common nucleation machinery with the centrosome. In addition, pre-existing dendrite microtubules may act as nucleation sites. We discuss how balancing the activities of distinct nucleation machineries within the growing dendrite can alter microtubule polymerization polarity and dendrite branching, and how regulating this balance can generate neuron type-specific morphologies. PMID:27097122

  6. [Ag25(SR)18]¯: The ‘Golden’ Silver Nanoparticle

    KAUST Repository

    Joshi, Chakra P

    2015-08-31

    Silver nanoparticles with an atomically precise molecular formula [Ag25(SR)18]¯ (‒SR: thiolate) are synthesized and their single-crystal structure is determined. This synthesized nanocluster is the only silver nanoparticle that has a virtually identical analogue in gold, i.e., [Au25(SR)18]¯, in terms of number of metal atoms, ligand count, super-atom electronic configuration, and atomic arrangement. Furthermore, both [Ag25(SR)18]¯ and its gold analogue share a number of features in their optical absorption spectra. This unprecedented molecular synthesis in silver to mimic gold offers the first model nanoparticle platform to investigate the centuries-old problem of understanding the fundamental differences between silver and gold in terms of nobility, catalytic activity, and optical property.

  7. The role of surface defects in HOPG on the electrochemical and physical deposition of Ag

    Directory of Open Access Journals (Sweden)

    R. PETROVIC

    1999-08-01

    Full Text Available The role of defects on a substrate surface during the initial stages of nucleation and growth of Ag deposited electrochemically and physically on highly oriented pyrolytic graphite (HOPG has been observed ex situ by scanning tunneling microscopy (STM. The silver was electrodeposited under current controlled electrochemical conditions at 26 µA/cm2, which corresponded to a deposition rate of 0.1 monolayers (ML per second. For comparison, physical deposition of Ag on HOPG was performed by DC Ar+ ion sputtering, at the same deposition rate and for the same deposition times. In both cases, Ag grows in an island growth mode, but the distribution of the islands appears to be quite different. In physical deposition, the Ag islands are almost homogeneously distributed over the substrate surface and a slight accumulation of islands on steps does not contribute significantly to the overall morphology. This indicates the crucial role of point defects on the substrate in the initial stages of nucleation. In electrochemical deposition, more lined defects are observed after a flow of current, and their role in the beginning of the nucleation is more pronounced. Lined defects are responsible for the string-like shaped domains of deposited atoms. Also, the existence of string-like shaped nucleation exclusion zones is indicated. The problem of the formation of nucleation exclusion zones, which appear only in electrochemical deposition, has been reconsidered and a new explanaton of their formation is given. A mathematical model for the calculation of the radius of the nucleation exclusion zone has been developed.

  8. The ice nucleation activity of extremophilic algae.

    Science.gov (United States)

    Kviderova, Jana; Hajek, Josef; Worland, Roger M

    2013-01-01

    Differences in the level of cold acclimation and cryoprotection estimated as ice nucleation activity in snow algae (Chlamydomonas cf. nivalis and Chloromonas nivalis), lichen symbiotic algae (Trebouxia asymmetrica, Trebouxia erici and Trebouxia glomerata), and a mesophilic strain (Chlamydomonas reinhardti) were evaluated. Ice nucleation activity was measured using the freezing droplet method. Measurements were performed using suspensions of cells of A750 (absorbance at 750 nm) ~ 1, 0.1, 0.01 and 0.001 dilutions for each strain. The algae had lower ice nucleation activity, with the exception of Chloromonas nivalis contaminated by bacteria. The supercooling points of the snow algae were higher than those of lichen photobionts. The supercooling points of both, mesophilic and snow Chlamydomonas strains were similar. The lower freezing temperatures of the lichen algae may reflect either the more extreme and more variable environmental conditions of the original localities or the different cellular structure of the strains examined. PMID:23625082

  9. Nucleation in an ultra low ionization environment

    DEFF Research Database (Denmark)

    Pedersen, Jens Olaf Pepke; Enghoff, Martin Andreas Bødker; Paling, Sean;

    Atmospheric ions can enhance the nucleation of aerosols, as has been established by experiments, observation, and theory. In the clean marine atmosphere ionization is mainly caused by cosmic rays which in turn are controlled by the activity of the Sun, thus providing a potential link between solar...... Laboratory, located 1100 meters below ground, thus reducing the flux of ionizing cosmic radiation by six orders of magnitude. Similarly we have reduced the gamma background by shielding the experiment in lead and copper. Finally we have used air stored for several weeks and passed through an active charcoal...... filter in order to reduce the Radon concentration. In this way we have been able to make nucleation experiments with very low ionizing background, meaning that we can rule out ion induced nucleation as a contributing mechanism. Our experimental setup is a 50 L electropolished stainless steel reactor...

  10. Nucleation and structural growth of cluster crystals

    CERN Document Server

    Leitold, Christian

    2016-01-01

    We study the nucleation of crystalline cluster phases in the generalized exponential model with exponent n=4. Due to the finite value of this pair potential for zero separation, at high densities the system forms cluster crystals with multiply occupied lattice sites. Here, we investigate the microscopic mechanisms that lead to the formation of cluster crystals from a supercooled liquid in the low-temperature region of the phase diagram. Using molecular dynamics and umbrella sampling, we calculate the free energy as a function of the size of the largest crystalline nucleus in the system, and compare our results with predictions from classical nucleation theory. Employing bond-order parameters based on a Voronoi tessellation to distinguish different crystal structures, we analyze the average composition of crystalline nuclei. We find that even for conditions where a multiply-occupied fcc crystal is the thermodynamically stable phase, the nucleation into bcc cluster crystals is strongly preferred. Furthermore, w...

  11. The growth of AgGaTe2 layers on glass substrates with Ag2Te buffer layer by closed space sublimation method

    International Nuclear Information System (INIS)

    The AgGaTe2 layer growth was performed by the closed space sublimation method on the Mo/glass substrate. The Ag2Te buffer layer was inserted between AgGaTe2 and Mo layers, to improve the quality of grown layers. Crystallographic properties were analyzed by x-ray diffraction (XRD), and the surface morphologies were analyzed by scanning electron microscopy (SEM). The Ag2Te layer grown on the Mo/glass exhibited a membrane filter structure from the SEM observation. XRD spectra of layers grown with and without the buffer layer were compared. The AgGaTe2 layer with the Ag2Te buffer layer exhibited peaks originating from AgGaTe2, and a very strong diffraction peak of 112 was observed. On the other hand, it was cleared that the layer grown without the buffer layer exhibited no strong peaks associated with AgGaTe2, but Ga-Te compounds. From this, crystallographic properties of the AgGaTe2 layer were drastically improved by the insertion of the Ag2Te buffer layer. Moreover, the surface morphology exhibited a smooth surface when the Ag2Te buffer layer was inserted. The nucleation site density of AgGaTe2 was probably increased since the membrane filter structure exhibited numbers of kinks at the edge. Chemical reaction between Ga and Mo was also eliminated. It was cleared that the insertion of the buffer layer and its surface morphology were an important parameter to grow high quality AgGaTe2 layers. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. The growth of AgGaTe{sub 2} layers on glass substrates with Ag{sub 2}Te buffer layer by closed space sublimation method

    Energy Technology Data Exchange (ETDEWEB)

    Uruno, Aya; Usui, Ayaka; Takeda, Yuji; Inoue, Tomohiro [Department of Electrical Engineering and Bioscience, Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169-8555 (Japan); Kobayashi, Masakazu [Department of Electrical Engineering and Bioscience, Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169-8555 (Japan); Kagami Memorial Research Institute for Materials Science and Technology, Waseda University, 2-8-26 Nishiwaseda, Shinjuku, Tokyo 169-0051 (Japan)

    2015-06-15

    The AgGaTe{sub 2} layer growth was performed by the closed space sublimation method on the Mo/glass substrate. The Ag{sub 2}Te buffer layer was inserted between AgGaTe{sub 2} and Mo layers, to improve the quality of grown layers. Crystallographic properties were analyzed by x-ray diffraction (XRD), and the surface morphologies were analyzed by scanning electron microscopy (SEM). The Ag{sub 2}Te layer grown on the Mo/glass exhibited a membrane filter structure from the SEM observation. XRD spectra of layers grown with and without the buffer layer were compared. The AgGaTe{sub 2} layer with the Ag{sub 2}Te buffer layer exhibited peaks originating from AgGaTe{sub 2}, and a very strong diffraction peak of 112 was observed. On the other hand, it was cleared that the layer grown without the buffer layer exhibited no strong peaks associated with AgGaTe{sub 2}, but Ga-Te compounds. From this, crystallographic properties of the AgGaTe{sub 2} layer were drastically improved by the insertion of the Ag{sub 2}Te buffer layer. Moreover, the surface morphology exhibited a smooth surface when the Ag{sub 2}Te buffer layer was inserted. The nucleation site density of AgGaTe{sub 2} was probably increased since the membrane filter structure exhibited numbers of kinks at the edge. Chemical reaction between Ga and Mo was also eliminated. It was cleared that the insertion of the buffer layer and its surface morphology were an important parameter to grow high quality AgGaTe{sub 2} layers. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Visible-Light-Sensitive Photocatalysts: Nanocluster-Grafted Titanium Dioxide for Indoor Environmental Remediation.

    Science.gov (United States)

    Miyauchi, Masahiro; Irie, Hiroshi; Liu, Min; Qiu, Xiaoqing; Yu, Huogen; Sunada, Kayano; Hashimoto, Kazuhito

    2016-01-01

    Photocatalytic degradation of organic compounds requires photoexcited holes with strong oxidative power in the valence band (VB) of semiconductors. Although numerous types of doped semiconductors, such as nitrogen-doped TiO2, have been studied as visible-light-sensitive photocatalysts, the quantum yields of these materials were very low because of the limited oxidation power of holes in the nitrogen level above the VB. Recently, we developed visible-light-sensitive Cu(II) and Fe(III) nanocluster-grafted TiO2 using a facile impregnation method and demonstrated that visible-light absorption occurs at the interface between the nanoclusters and TiO2, as electrons in the VB of TiO2 are excited to the nanoclusters under visible-light irradiation. In addition, photogenerated holes in the VB of TiO2 efficiently oxidize organic contaminants, and the excited electrons that accumulate in nanoclusters facilitate the multielectron reduction of oxygen. Notably, Cu(II) and Fe(III) nanocluster-grafted TiO2 photocatalyst has the highest quantum yield among reported photocatalysts and has antiviral, self-cleaning, and air purification properties under illumination by indoor light fixtures equipped with white fluorescent bulbs or white light-emitting diodes. PMID:26654353

  14. Au Nanocluster assisted PCE improvement in PEDOT: PSS - Si Hybrid Devices

    Science.gov (United States)

    Sharma, Manisha; Pudasaini, Pushpa Raj; Ayon, Arturo A.

    2015-03-01

    Poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS), a P-type organic polymer is frequently employed in the fabrication of heterojunction p-n solar cell devices due to its proper HOMO-LUMO band gap as well as its tunable conductivity. In this report we describe the incorporation of gold (Au) nanoclusters in the PEDOT:PSS blend and its influence on the power-conversion-efficiency (PCE) on planar silicon (Si) hybrid heterojunction solar cell devices. Specifically, the reference samples without the aforementioned nanoclusters, were measured to exhibit a 6.10% PCE, value that increased to 7.55% upon the addition of the Au nanoclusters. The observed increase in the PCE is attributed to the enhanced electrical conductivity of the PEDOT:PSS films due to the incorporation of the nanoclusters, which is directly reflected in their improved fill factor. It is further theorized that the presence of Au nanoclusters in the insulating PSS layer in the PEDOT:PSS blend have a positive influence in the charge collection effectiveness of the devices produced. Considering that the Au nanoparticles involved in this research exercise had an average size of only 4 nm, it is considered that plasmonic effects did not play a relevant role in the observed PCE improvement.

  15. Arsenate uptake by Al nanoclusters and other Al-based sorbents during water treatment.

    Science.gov (United States)

    Mertens, Jasmin; Rose, Jérôme; Wehrli, Bernhard; Furrer, Gerhard

    2016-01-01

    In many parts of the world, arsenic from geogenic and anthropogenic sources deteriorates the quality of drinking water resources. Effective methods of arsenic removal include adsorption and coagulation with iron- and aluminum-based materials, of which polyaluminum chloride is widely employed as coagulant in water treatment due to its low cost and high efficiency. We compared the arsenic uptake capacity and the arsenic bonding sites of different Al-based sorbents, including Al nanoclusters, polyaluminum chloride, polyaluminum granulate, and gibbsite. Extended X-ray absorption fine structure (EXAFS) spectroscopy revealed that As(V) forms bidentate-binuclear complexes in interaction with all Al-based removal agents. The octahedral configuration of nanoclusters and the distribution of sorption sites remain the same in all types of removal agents consisting of nano-scale Al oxyhydroxide particles. The obtained distances for As(V)-O and As(V)-Al agreed with previously published data and were found to be 1.69 ± 0.02 Å and 3.17-3.21 Å, respectively. Our study suggests that As(V) binds to Al nanoclusters as strongly as to Al oxide surfaces. The As sorption capacity of Al nanoclusters was found to be very similar to that of Al clusters in a polyaluminum chloride. The most efficient Al-based sorbents for arsenic removal were Al nanoclusters, followed by polyaluminum granulate. PMID:26613179

  16. Cavitation Bubble Nucleation by Energetic Particles

    Energy Technology Data Exchange (ETDEWEB)

    West, C.D.

    1998-12-01

    In the early sixties, experimental measurements using a bubble chamber confirmed quantitatively the thermal spike theory of bubble nucleation by energetic particles: the energy of the slow, heavy alpha decay recoils used in those experiments matched the calculated bubble nucleation energy to within a few percent. It was a triumph, but was soon to be followed by a puzzle. Within a couple of years, experiments on similar liquids, but well below their normal boiling points, placed under tensile stress showed that the calculated bubble nucleation energy was an order of magnitude less than the recoil energy. Why should the theory work so well in the one case and so badly in the other? How did the liquid, or the recoil particle, "know" the difference between the two experiments? Another mathematical model of the same physical process, introduced in 1967, showed qualitatively why different analyses would be needed for liquids with high and low vapor pressures under positive or negative pressures. But, the quantitative agreement between the calculated nucleation energy and the recoil energy was still poor--the former being smaller by a factor of two to three. In this report, the 1967 analysis is extended and refined: the qualitative understanding of the difference between positive and negative pressure nucleation, "boiling" and "cavitation" respectively, is retained, and agreement between the negative pressure calculated to be needed for nucleation and the energy calculated to be available is much improved. A plot of the calculated negative pressure needed to induce bubble formation against the measured value now has a slope of 1.0, although there is still considerable scatter in the individual points.

  17. A new label-free fluorescent sensor for human immunodeficiency virus detection based on exonuclease III-assisted quadratic recycling amplification and DNA-scaffolded silver nanoclusters.

    Science.gov (United States)

    Yang, Wen; Tian, Jianniao; Wang, Lijun; Fu, Shui; Huang, Hongyun; Zhao, Yanchun; Zhao, Shulin

    2016-05-10

    A label-free and sensitive fluorescence biosensing platform for human immunodeficiency virus gene (HIV-DNA) detection has been fabricated based on luminescent DNA-scaffolded silver nanoclusters (DNA/AgNCs) and autonomous exonuclease III (Exo III)-assisted recycling signal amplification. One long-chain DNA (X-DNA) molecule can hybridize with two assistant DNA (F-DNA) molecules and one HIV-DNA molecule; after Exo III digests X-DNA to liberate F-DNA and HIV-DNA. F-DNA combines with P-DNA (template of DNA/AgNCs), accordingly, P-DNA is cut and the fluorescence of the system is quenched. This assay can finish in one-step without any labelling of the DNA chain or complex construction, and the strategy is sensitive with the detection limit as low as 35 pM. At the same time, the approach exhibits good selectivity even against a single base mismatch. What's more, the method is able to monitor HIV-DNA in real human serum samples; it holds great potential for early diagnosis in gene-related diseases. PMID:27053438

  18. Nucleation and crystallization of Ca doped basaltic glass for the production of a glass-ceramic material

    Science.gov (United States)

    Tarrago, Mariona; Royo, Irene; Garcia-Valles, Maite; Martínez, Salvador

    2016-04-01

    Sewage sludge from wastewater treatment plants is a waste with a composition roughly similar to that of a basalt. It may contain potentially toxic elements that can be inertized by vitrification. Using a glass-ceramic process, these elements will be emplaced in newly formed mineral phases. Glass-ceramic production requires an accurate knowledge of the temperatures of nucleation (TN) and crystal growth of the corresponding minerals. This work arises from the study of the addition of ions to a basaltic matrix in order to establish a model of vitrification of sewage sludge. In this case a glass-ceramic is obtained from a glass made with a basalt that has been doped with 16% CaO. Two glasses which underwent different cooling processes have been produced and compared. The first was annealed at 650oC (AG) and the second was quenched (QG). The chemical composition of the glasses is SiO2 36.11 wt%, Al2O312.19 wt%, CaO 24.44 wt%, FeO 10.06 wt%, MgO 9.19 wt%, Na2O 2.28 wt%, TiO2 2.02 wt%, K2O 1.12 wt%, P2O5 0.46 wt%. Glass transition temperature obtained by dilatometry varies from 640 oC (AG) to 700 oC (QG). The temperatures of nucleation and crystal growth of the glass have been determined by Differential Thermal Analysis (DTA). The phases formed after these treatments were identified by X-Ray Diffraction. The temperatures of exothermic and endothermic peaks measured in the quenched glass are, in average, 10 oC higher than those found for the annealed glass. The exothermic peaks provide crystallization temperatures for different phases: a first event at 857 oC corresponds to the growth of magnetite, pyroxene and nepheline, whereas a second event at 1030 oC is due to the crystallization of melilite from the reaction between previous minerals and a remaining amorphous phase. The complete melting of this system occurs at 1201 oC. This glass has been nucleated inside the DTA furnace (500-850° C/3 hours) and then heated up to 1300 oC using the fraction between 400-500μm. TN

  19. Nucleation of earthquakes and its implication to precursors

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The recent argument about nucleation phase of earthquakes reminds us to completely study the concept of earthquake nucleation. The original meaning of nucleation includes concentration, nucleation and initiation of the eruptive processes. Thus, it is needed to discuss how to exactly translate the word "nucleation" into Chinese in different fields. The basic concept of earthquake nucleation refers to microcrack concentration in rock. It causes local weakening and instability of the rock. The narrow sense of nucleation theory of friction constitutive is significant in friction of fault surfaces, but should not abuse everywhere unconditionally. In terms of thermodynamics, nucleation actually means the variety processes of multiple state parameters of rock. The nucleation is a project that covers multiple courses. In this paper, the studies of damage theory, fracture, earthquake rupture dynamics and constitutive of friction and their implication to earthquake nucleation are remarked. The recently developments are introduced, including the influence of tectonic on the earthquake nucleation process, the method of measuring medium anisotropy, especially shear wave splitting led by concentration and orientation of microcracks, and the experimental study of remote sensing of infrared and microwave radiation related to the nucleation, etc. This paper also discusses the characteristic of large earthquake nucleation, and the implication of above studies to precursors of strong earthquakes.

  20. Selective Semiconductor Nanocluster Deposition on Eptaxially Patterned Semicrystalline Block Copolymer Film

    Science.gov (United States)

    Park, Cheolmin; Lee, Jinwook; Jensen, Klavs F.; Bawendi, Moungi G.; Thomas, Edwin L.

    2001-03-01

    Monodisperse ZnS encapsulated CdSe semiconductor nanoclusters are sequestered in between the crystalline polyethylene (PE) lamellae of poly (ethylene-b-ethylene-alt-propylene-b ethylene) semicrystalline triblock copolymer epitaxially crystallized on single crystal of anthracene (AN). Epitaxy between PE block and An created a cross oriented texture of the edge-on crystalline PE lamellae in the thin film. At the same time, the nanoclusters, initially dissolved in the mixture of block copolymer and AN, were rejected out of the crystalline lamellae during epitaxial crystallization and selectively deposited in the amorphous region of the block copolymer. Selective distribution of nanoclusters on the cross oriented pattern structure is clearly evidenced by selected area diffraction (SAD) and bright field transmission electron microscope (TEM).

  1. Layered Double Hydroxide Nanoclusters: Aqueous, Concentrated, Stable, and Catalytically Active Colloids toward Green Chemistry.

    Science.gov (United States)

    Tokudome, Yasuaki; Morimoto, Tsuyoshi; Tarutani, Naoki; Vaz, Pedro D; Nunes, Carla D; Prevot, Vanessa; Stenning, Gavin B G; Takahashi, Masahide

    2016-05-24

    Increasing attention has been dedicated to the development of nanomaterials rendering green and sustainable processes, which occur in benign aqueous reaction media. Herein, we demonstrate the synthesis of another family of green nanomaterials, layered double hydroxide (LDH) nanoclusters, which are concentrated (98.7 g/L in aqueous solvent), stably dispersed (transparent sol for >2 weeks), and catalytically active colloids of nano LDHs (isotropic shape with the size of 7.8 nm as determined by small-angle X-ray scattering). LDH nanoclusters are available as colloidal building blocks to give access to meso- and macroporous LDH materials. Proof-of-concept applications revealed that the LDH nanocluster works as a solid basic catalyst and is separable from solvents of catalytic reactions, confirming the nature of nanocatalysts. The present work closely investigates the unique physical and chemical features of this colloid, the formation mechanism, and the ability to act as basic nanocatalysts in benign aqueous reaction systems.

  2. Layered Double Hydroxide Nanoclusters: Aqueous, Concentrated, Stable, and Catalytically Active Colloids toward Green Chemistry.

    Science.gov (United States)

    Tokudome, Yasuaki; Morimoto, Tsuyoshi; Tarutani, Naoki; Vaz, Pedro D; Nunes, Carla D; Prevot, Vanessa; Stenning, Gavin B G; Takahashi, Masahide

    2016-05-24

    Increasing attention has been dedicated to the development of nanomaterials rendering green and sustainable processes, which occur in benign aqueous reaction media. Herein, we demonstrate the synthesis of another family of green nanomaterials, layered double hydroxide (LDH) nanoclusters, which are concentrated (98.7 g/L in aqueous solvent), stably dispersed (transparent sol for >2 weeks), and catalytically active colloids of nano LDHs (isotropic shape with the size of 7.8 nm as determined by small-angle X-ray scattering). LDH nanoclusters are available as colloidal building blocks to give access to meso- and macroporous LDH materials. Proof-of-concept applications revealed that the LDH nanocluster works as a solid basic catalyst and is separable from solvents of catalytic reactions, confirming the nature of nanocatalysts. The present work closely investigates the unique physical and chemical features of this colloid, the formation mechanism, and the ability to act as basic nanocatalysts in benign aqueous reaction systems. PMID:27124717

  3. Effects of clustered nucleation on recrystallization

    DEFF Research Database (Denmark)

    Storm, Søren; Juul Jensen, Dorte

    2009-01-01

    experimentally observed clustering is not very strong, it changes the kinetics and the recrystallized microstructural morphology plus leads to a recrystallized grain size distribution, which is significantly broadened compared to that of random nucleation simulations. (C) 2009 Published by Elsevier Ltd. on...

  4. Repeatability and randomness in heterogeneous freezing nucleation

    Directory of Open Access Journals (Sweden)

    G. Vali

    2008-08-01

    Full Text Available This study is aimed at clarifying the relative importance of the specific character of the nuclei and of the duration of supercooling in heterogeneous freezing nucleation by immersed impurities. Laboratory experiments were carried out in which sets of water drops underwent multiple cycles of freezing and melting. The drops contained suspended particles of mixtures of materials; the resulting freezing temperatures ranged from −6°C to −24°C. Rank correlation coefficients between observed freezing temperatures of the drops in successive runs were >0.9 with very high statistical significance, and thus provide strong support for the modified singular model of heterogeneous immersion freezing nucleation. For given drops, changes in freezing temperatures between cycles were relatively small (<1°C for the majority of the events. These frequent small fluctuations in freezing temperatures are interpreted as reflections of the random nature of embryo growth and are associated with a nucleation rate that is a function of a temperature difference from the characteristic temperatures of nuclei. About a sixth of the changes were larger, up to ±5°C, and exhibited some systematic patterns. These are thought to arise from alterations of the nuclei, some being permanent and some transitory. The results are used to suggest ways of describing ice initiation in cloud models that account for both the temperature and the time dependence of freezing nucleation.

  5. Repeatability and randomness in heterogeneous freezing nucleation

    Directory of Open Access Journals (Sweden)

    G. Vali

    2008-02-01

    Full Text Available This study is aimed at clarifying the relative importance of the specific character of the nuclei and of the duration of supercooling in heterogeneous freezing nucleation by immersed impurities. Laboratory experiments were carried out in which sets of water drops underwent multiple cycles of freezing and melting. The drops contained suspended particles of mixtures of materials; the resulting freezing temperatures ranged from −6°C to −24°C. Rank correlation coefficients between observed freezing temperatures of the drops in successive runs were >0.9 with very high statistical significance, and thus provide strong support for the modified singular model of heterogeneous immersion freezing nucleation. For given drops, changes in freezing temperatures between cycles were relatively small (<1°C for the majority of the events. These frequent small fluctuations in freezing temperatures are interpreted as reflections of the random nature of embryo growth and are associated with a nucleation rate that is a function of a temperature difference from the characteristic temperatures of nuclei. About a sixth of the changes were larger, up to ±5°C, and exhibited some systematic patterns. These are thought to arise from alterations of the nuclei, some being permanent and some transitory. The results are used to suggest ways of describing ice initiation in cloud models that account for both the temperature and the time dependence of freezing nucleation.

  6. Nucleation theory and growth of nanostructures

    CERN Document Server

    Dubrovskii, Vladimir G

    2013-01-01

    Semiconductor nanostructures such as nanowires are promising building blocks of future nanoelectronic, nanophotonic and nanosensing devices. Their physical properties are primarily determined by the epitaxy process which is rather different from the conventional thin film growth. This book shows how the advanced nucleation theory can be used in modeling of growth properties, morphology and crystal phase of such nanostructures.

  7. Crystal structure and electronic properties of a thiolate-protected Au24 nanocluster

    Science.gov (United States)

    Das, Anindita; Li, Tao; Li, Gao; Nobusada, Katsuyuki; Zeng, Chenjie; Rosi, Nathaniel L.; Jin, Rongchao

    2014-05-01

    Solving the total structures of gold nanoclusters is of critical importance for understanding their electronic, optical and catalytic properties. Herein, we report the X-ray structure of a charge-neutral Au24(SCH2Ph-tBu)20 nanocluster. This structure features a bi-tetrahedral Au8 kernel protected by four tetrameric staple-like motifs. Electronic structure analysis is further carried out and the optical absorption spectrum is interpreted. The Au24(SCH2Ph-tBu)20, Au23(S-c-C6H11)16 and Au25(SCH2CH2Ph)18 nanoclusters constitute the first crystallographically characterized ``trio''.Solving the total structures of gold nanoclusters is of critical importance for understanding their electronic, optical and catalytic properties. Herein, we report the X-ray structure of a charge-neutral Au24(SCH2Ph-tBu)20 nanocluster. This structure features a bi-tetrahedral Au8 kernel protected by four tetrameric staple-like motifs. Electronic structure analysis is further carried out and the optical absorption spectrum is interpreted. The Au24(SCH2Ph-tBu)20, Au23(S-c-C6H11)16 and Au25(SCH2CH2Ph)18 nanoclusters constitute the first crystallographically characterized ``trio''. Electronic supplementary information (ESI) available: Experimental and supporting Fig. S1-S3. CCDC NUMBER(1000102). For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4nr01350f

  8. Seeded Induction Period and Secondary Nucleation of Lithium Carbonate

    Institute of Scientific and Technical Information of China (English)

    SUN Yu-zhu; SONG Xing-fu; WANG Jin; LUO Yan; YU Jian-guo

    2009-01-01

    Seeded nucleation of lithinm carbonate in aqueous solution during reactive crystallization was monitored by FBRM (focused beam reflectance measurement) and PVM (particle video microscope). The impacts of operating variables, such as seed size and loading, stirring speed, on induction period and secondary nucleation were investigated and explained by an adsorption model. The results show that seed surface area plays an important role in secondary nucleation, for more surface area has higher adsorption capacity and consumes more supersaturation on seed growth, thus restrains nucleation better. A method through comparison between pure breakage/attrition and nucleation process was put forward to distinguish attrition-induced and surface-induced nucleations quantitatively, which can reveal the contributions of different nucleation mechanisms. The nucleation processes in different conditions were studied, the principles and valuable experimental data were obtained for seeding approach primarily. FBRM and PVM are useful on-line apparatuses to facilitate seed selection and seeding optimization.

  9. Photoluminescent gold nanoclusters as sensing probes for uropathogenic Escherichia coli.

    Directory of Open Access Journals (Sweden)

    Po-Han Chan

    Full Text Available Glycan-bound nanoprobes have been demonstrated as suitable sensing probes for bacteria containing glycan binding sites. In this study, we demonstrated a facile approach for generating glycan-bound gold nanoclusters (AuNCs. The generated AuNCs were used as sensing probes for corresponding target bacteria. Mannose-capped AuNCs (AuNCs@Mann were generated and used as the model sensors for target bacteria. A one-step synthesis approach was employed to generate AuNCs@Mann. In this approach, an aqueous solution of tetrachloroauric acid and mannoside that functionized with a thiol group (Mann-SH was stirred at room temperature for 48 h. The mannoside functions as reducing and capping agent. The size of the generated AuNCs@Mann is 1.95±0.27 nm, whereas the AuNCs with red photoluminescence have a maximum emission wavelength of ~630 nm (λexcitation = 375 nm. The synthesis of the AuNCs@Mann was accelerated by microwave heating, which enabled the synthesis of the AuNCs@Mann to complete within 1 h. The generated AuNCs@Mann are capable of selectively binding to the urinary tract infection isolate Escherichia coli J96 containing the mannose binding protein FimH expressed on the type 1 pili. On the basis of the naked eye observation, the limit of detection of the sensing approach is as low as ~2×10(6 cells/mL.

  10. Photoluminescent gold nanoclusters as sensing probes for uropathogenic Escherichia coli.

    Science.gov (United States)

    Chan, Po-Han; Ghosh, Bhaswati; Lai, Hong-Zheng; Peng, Hwei-Ling; Mong, Kwok Kong Tony; Chen, Yu-Chie

    2013-01-01

    Glycan-bound nanoprobes have been demonstrated as suitable sensing probes for bacteria containing glycan binding sites. In this study, we demonstrated a facile approach for generating glycan-bound gold nanoclusters (AuNCs). The generated AuNCs were used as sensing probes for corresponding target bacteria. Mannose-capped AuNCs (AuNCs@Mann) were generated and used as the model sensors for target bacteria. A one-step synthesis approach was employed to generate AuNCs@Mann. In this approach, an aqueous solution of tetrachloroauric acid and mannoside that functionized with a thiol group (Mann-SH) was stirred at room temperature for 48 h. The mannoside functions as reducing and capping agent. The size of the generated AuNCs@Mann is 1.95±0.27 nm, whereas the AuNCs with red photoluminescence have a maximum emission wavelength of ~630 nm (λexcitation = 375 nm). The synthesis of the AuNCs@Mann was accelerated by microwave heating, which enabled the synthesis of the AuNCs@Mann to complete within 1 h. The generated AuNCs@Mann are capable of selectively binding to the urinary tract infection isolate Escherichia coli J96 containing the mannose binding protein FimH expressed on the type 1 pili. On the basis of the naked eye observation, the limit of detection of the sensing approach is as low as ~2×10(6) cells/mL.

  11. "light-on" sensing of antioxidants using gold nanoclusters

    KAUST Repository

    Hu, Lianzhe

    2014-05-20

    Depletion of intracellular antioxidants is linked to major cytotoxic events and cellular disorders, such as oxidative stress and multiple sclerosis. In addition to medical diagnosis, determining the concentration of antioxidants in foodstuffs, food preservatives, and cosmetics has proved to be very vital. Gold nanoclusters (Au-NCs) have a core size below 2 nm and contain several metal atoms. They have interesting photophysical properties, are readily functionalized, and are safe to use in various biomedical applications. Herein, a simple and quantitative spectroscopic method based on Au-NCs is developed to detect and image antioxidants such as ascorbic acid. The sensing mechanism is based on the fact that antioxidants can protect the fluorescence of Au-NCs against quenching by highly reactive oxygen species. Our method shows great accuracy when employed to detect the total antioxidant capacity in commercial fruit juice. Moreover, confocal fluorescence microscopy images of HeLa cells show that this approach can be successfully used to image antioxidant levels in living cells. Finally, the potential application of this "light-on" detection method in multiple logic gate fabrication was discussed using the fluorescence intensity of Au-NCs as output. © 2014 American Chemical Society.

  12. Collective electric and magnetic plasmonic resonances in spherical nanoclusters.

    Science.gov (United States)

    Vallecchi, Andrea; Albani, Matteo; Capolino, Filippo

    2011-01-31

    We report an investigation on the optical properties of three-dimensional nanoclusters (NCs) made by spherical constellations of metallic nanospheres arranged around a central dielectric sphere, which can be realized and assembled by current state-of-the-art nanochemistry techniques. This type of NCs supports collective plasmon modes among which the most relevant are those associated with the induced electric and magnetic resonances. Combining a single dipole approximation for each nanoparticle and the multipole spherical-wave expansion of the scattered field, we achieve an effective characterization of the optical response of individual NCs in terms of their scattering, absorption, and extinction efficiencies. By this approximate model we analyze a few sample NCs identifying the electric and magnetic resonance frequencies and their dependence on the size and number of the constituent nanoparticles. Furthermore, we discuss the effective electric and magnetic polarizabilities of the NCs, and their isotropic properties. A homogenization method based on an extension of the Maxwell Garnett model to account for interaction effects due to higher order multipoles in dense packed arrays is applied to a distribution of NCs showing the possibility of obtaining metamaterials with very large, small, and negative values of permittivity and permeability, and even negative index.

  13. Radical attached aluminum nanoclusters: an alternative way of cluster stabilization.

    Science.gov (United States)

    Sengupta, Turbasu; Pal, Sourav

    2016-08-21

    The stability and electronic structure of radical attached aluminum nanoclusters are investigated using density functional theory (DFT). A detailed investigation shows good correlation between the thermodynamic stability of radical attached clusters and the stability of the attached radical anions. All other calculated parameters like HOMO-LUMO gap and charge transfer are also found to be consistent with the observed thermodynamic stabilities of the complexes. Investigation of the electronic structure of radical attached complexes further shows the presence of jellium structures within the core similar to the ligated clusters. Comparison with available experimental and theoretical data also proves the validity of superatomic complex theory for the radical attached clusters as well. Based on the evaluated thermodynamic parameters, selected radical attached clusters are observed to be more thermodynamically stable in comparison with experimentally synthesized ligated clusters. Stabilization of small metal clusters is one of the greatest challenges in current cluster science and the present investigation confirms the fact that radical attached clusters can provide a viable alternative to ligated clusters in the future. PMID:27435912

  14. 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.

  15. Rigid rod spaced fullerene as building block for nanoclusters

    Indian Academy of Sciences (India)

    Pallikara K Sudeep; James P Varkey; K George Thomas; Manappurathu V George; Prashant V Kamat

    2003-10-01

    By using phenylacetylene based rigid-rod linkers (PhA), we have successfully synthesized two fullerene derivatives, C60-PhA and C60-PhA-C60. The absorption spectral features of C60, as well as that of the phenylacetylene moiety are retained in the monomeric forms of these fullerene derivatives, ruling out the possibility of any strong interaction between the two chromophores in the ground state. Both the fullerene derivatives form optically transparent clusters, absorbing in the UV-Vis region; this clustering leads to a significant increase in their molar extinction coefficients. TEM characterization of the C60-PhA showed large spherical clusters, with sizes ranging from 150-350 nm, while an elongated wire-type structure was observed for the bisfullerene derivative (C60-PhA-C60). AFM section analysis studies of isolated nanoclusters of C60-PhA-C60, deposited on mica, indicate that smaller clusters associate to form larger nanostructures.

  16. Atomic-scale structure of single-layer MoS2 nanoclusters

    OpenAIRE

    Helveg, S.; Lauritsen, J.V.; Lægsgaard, E.; Stensgaard, I.; Nørskov, Jens Kehlet; Clausen, B.S, Helveg S; Topsøe, H.; Besenbacher, Flemming

    2000-01-01

    We have studied using scanning tunneling microscopy (STM) the atomic-scale realm of molybdenum disulfide (MoS2) nanoclusters, which are of interest as a model system in hydrodesulfurization catalysis. The STM gives the first real space images of the shape and edge structure of single-layer MoS2 nanoparticles synthesized on Au(lll), and establishes a new picture of the active edge sires of the nanoclusters. The results demonstrate a way to get detailed atomic-scale information on catalysts in ...

  17. Simulation of micro-behaviors including nucleation,growth, and aggregation in particle system

    Institute of Scientific and Technical Information of China (English)

    GU ZhaoLin; SU JunWei; JIAO JianYing; XU X Yun

    2009-01-01

    A new method for the solution of population balance equations (PBE) describing the micro-processes such as nucleation, growth, aggregation of particle swarms in a multiphase system is proposed. The method is based on the fixed pivot moment and allows arbitrary number of moments to be tracked si-multaneously. By expressing PBEs for both batch and continuous operations in a general form, and using weighted residual method to derive the moment equations, different moments can be tracked directly. The numerical density function is assumed to be a summation of several weighted Dirac Delta functions, and the integral and derivative terms in PBEs are transformed to a summation in order to reduce computational cost. Simulations of a batch nucleation-growth process and a continuous ag-gregation-growth process have demonstrated good agreement with the corresponding analytical solu-tions, with relative errors less than 10-8%. Simulation of a combined nucleation-growth-aggregation process, which does not have an analytical solution, is also included, so as to reproduce the mi-cro-behaviors of such a complex system, demonstrating the feasibility and reliability of this method.

  18. Simulation of micro-behaviors including nucleation,growth,and aggregation in particle system

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    A new method for the solution of population balance equations(PBE) describing the micro-processes such as nucleation,growth,aggregation of particle swarms in a multiphase system is proposed.The method is based on the fixed pivot moment and allows arbitrary number of moments to be tracked si-multaneously.By expressing PBEs for both batch and continuous operations in a general form,and using weighted residual method to derive the moment equations,different moments can be tracked directly.The numerical density function is assumed to be a summation of several weighted Dirac Delta functions,and the integral and derivative terms in PBEs are transformed to a summation in order to reduce computational cost.Simulations of a batch nucleation-growth process and a continuous ag-gregation-growth process have demonstrated good agreement with the corresponding analytical solu-tions,with relative errors less than 108%.Simulation of a combined nucleation-growth-aggregation process,which does not have an analytical solution,is also included,so as to reproduce the mi-cro-behaviors of such a complex system,demonstrating the feasibility and reliability of this method.

  19. Freezing nucleation apparatus puts new slant on study of biological ice nucleators in precipitation

    Directory of Open Access Journals (Sweden)

    E. Stopelli

    2013-10-01

    Full Text Available Since decades, drop-freezing instruments have contributed to a better understanding of biological ice nucleation and its likely implications on cloud and precipitation development. Yet, current instruments have limitations. Drops analysed on a cold stage are subject to evaporation and potential contamination. The use of closed tubes provides a partial solution to these problems, but freezing events are still difficult to be clearly detected. Here, we present a new apparatus where freezing in closed tubes is detected automatically by a change in light transmission upon ice development, caused by the formation of air bubbles and crystal facets that scatter light. Risks of contamination and introduction of biases linked to detecting the freezing temperature of a sample are then minimized. To illustrate the performance of the new apparatus we show initial results of two assays with snow samples. In one, we repeatedly analysed the sample (208 tubes over the course of a month with storage at +4 °C, during which evidence for biological ice nucleation activity emerged through an increase in the number of ice nucleators active around −4 °C. In the second assay, we indicate the possibility to increasingly isolate a single ice nucleator from a precipitation sample, potentially determining the nature of a particle responsible for a nucleation activity measured directly in the sample. These two seminal approaches highlight the relevance of this handy apparatus to provide new points of view in biological ice nucleation research.

  20. Stress-induced thickening of Ω phase in Al–Cu–Mg alloys containing various Ag additions

    International Nuclear Information System (INIS)

    The thickening of Ω phase in Al–Cu–Mg alloys containing various bulk Ag contents during stress aging at 200 °C with a tensile stress of 240 MPa was investigated by a combination of transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM) and atom probe tomography (APT). TEM characterization confirmed preferred orientation of Ω phase in all stress-aged samples. Corresponding quantitative TEM calculations revealed the thickening kinetics of Ω phase was significantly accelerated during stress aging as compared to that during stress-free aging at 200 °C. HRTEM analysis on the α/Ω interfacial structure confirmed that the applied tensile stress facilitated the rapid nucleation of the growth ledge on the broad face of Ω phase, thereby resulting in the accelerated plate thickening during stress aging at 200 °C. Meanwhile, quantitative TEM analysis highlighted the stress-induced thickening of Ω phase at 200 °C was affected by the bulk Ag content. This was consistent with the HRTEM observation as the ledge nucleation was found to be suppressed with increasing Ag addition. Our APT analysis on different stress-aged samples further suggested the progressive enrichment of Ag atoms in the segregation layer helped to stabilize the interfacial structure and was responsible for the lowest nucleation rate of the ledge in 1.77Ag alloy as compared to that in 0.46Ag alloy

  1. Interpretation of dc and ac conductivity of Ag{sub 2}O–SeO{sub 2}–MoO{sub 3} glass-nanocomposite-semiconductor

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharya, Sanjib, E-mail: sanjib_ssp@yahoo.co.in [Department of Engineering Sciences and Humanities, Siliguri Institute of Technology, Darjeeeling 734009, West Bengal (India); Kundu, Ranadip [Department of Engineering Sciences and Humanities, Siliguri Institute of Technology, Darjeeeling 734009, West Bengal (India); Department of Mechanical Engineering, Jadavpur University, Jadavpur, Kolkata 700032 (India); Das, Anindya Sundar [Department of Mechanical Engineering, Jadavpur University, Jadavpur, Kolkata 700032 (India); Department of Electronics and Communication Engineering, Regent Education and Research Foundation, Barrackpore, Kolkata 7000121 (India); Roy, Debasish [Department of Mechanical Engineering, Jadavpur University, Jadavpur, Kolkata 700032 (India)

    2015-07-15

    Highlights: • Polaron hopping. • Dc and ac conductivity. • Mott's model and Greave's model. • Ag{sub 2}MoO{sub 4}, Ag{sub 2}Mo{sub 2}O{sub 7} and Ag{sub 6}Mo{sub 10}O{sub 33} nanoparticles and SeO{sub 3} and SeO{sub 4} nanoclusters. • XRD and FESEM studies. - Abstract: A new type of semiconducting glass-nanocomposites 0.3Ag{sub 2}O–0.7 (xMoO{sub 3}–(1 − x) SeO{sub 2}) is prepared by melt-quenching route. The formation of Ag{sub 2}MoO{sub 4}, Ag{sub 2}Mo{sub 2}O{sub 7} and Ag{sub 6}Mo{sub 10}O{sub 33} nanoparticles and SeO{sub 3} and SeO{sub 4} nanoclusters in glass-nanocomposites has been confirmed from X-ray diffraction (XRD) and field emission scanning electron microscopic (FESEM) studies. Fourier transform infrared (FTIR) spectroscopy is employed to find out Se−O stretching vibration as well as stretching vibrations of Mo{sub 2}O{sub 7}{sup 2−} ions. The dc conductivity of them is studied on the light of polaron hopping approach in a wide temperature range. At low temperatures, variable range hopping model (Mott's model) is employed to analyze the conductivity data. Greave's model is used to predict temperature dependent variable range hopping in the high temperature region. Frequency dependent ac conductivity is well explained on the basis of tunneling. I–V characteristics of the as-prepared samples have also been investigated.

  2. Future topics in basic nucleation and growth research

    International Nuclear Information System (INIS)

    An adequate knowledge of nucleation and growth processes leads to the design and manufacture of thin film deposits of desired properties. Research in randon heterogeneous nucleation, epitaxial nucleation and growth, angstrom-particle chemistry, and surface replication with atomistic resolution is discussed

  3. Control of nucleation and growth in protein crystal growth

    Science.gov (United States)

    Rosenberger, Franz; Meehan, Edward J.

    1988-01-01

    The potential advantages of nucleation and growth control through temperature, rather than the addition of precipitants or removal of solvent, are discussed. A simple light scattering arrangement for the characterization of nucleation and growth conditions in solutions is described. The temperature dependence of the solubility of low ionic strength lysozyme solutions is applied in preliminary nucleation and growth experiments.

  4. Atmospheric nucleation: highlights of the EUCAARI project and future directions

    OpenAIRE

    V.-M. Kerminen; T. Petäjä; Manninen, H. E.; Paasonen, P.; Nieminen, T.; Sipilä, M.; Junninen, H.; M. Ehn; Gagné, S.; Laakso, L.; Riipinen, I; Vehkamäki, H.; Kurten, T.; Ortega, I.K.; Dal Maso, M.

    2010-01-01

    Within the project EUCAARI (European Integrated project on Aerosol Cloud Climate and Air Quality interactions), atmospheric nucleation was studied by (i) developing and testing new air ion and cluster spectrometers, (ii) conducting homogeneous nucleation experiments for sulphate and organic systems in the laboratory, (iii) investigating atmospheric nucleation mechanism under field conditions, and (iv) applying new theoretical and modelling tools for data interpretation and development...

  5. AGS experiments: 1993 - 1994 - 1995

    International Nuclear Information System (INIS)

    This report contains: FY 1995 AGS Schedule as Run; FY 1996-97 AGE Schedule (working copy); AGS Beams 1995; AGS Experimental Area FY 1993 Physics Program; AGS Experimental Area FY 1994 Physics Program; AGS Experimental Area FY 1995 Physics Program; AGS Experimental Area FY 1996 Physics Program (In progress); A listing of experiments by number; Two-page summaries of each experiment begin here, also ordered by number; Listing of publications of AGS experiments begins here; and Listing of AGS experimenters begins here. This is the twelfth edition

  6. AGS experiments: 1993 - 1994 - 1995

    Energy Technology Data Exchange (ETDEWEB)

    Depken, J.C.

    1996-04-01

    This report contains: FY 1995 AGS Schedule as Run; FY 1996-97 AGE Schedule (working copy); AGS Beams 1995; AGS Experimental Area FY 1993 Physics Program; AGS Experimental Area FY 1994 Physics Program; AGS Experimental Area FY 1995 Physics Program; AGS Experimental Area FY 1996 Physics Program (In progress); A listing of experiments by number; Two-page summaries of each experiment begin here, also ordered by number; Listing of publications of AGS experiments begins here; and Listing of AGS experimenters begins here. This is the twelfth edition.

  7. Nucleation Characteristics in Physical Experiments/explosions

    International Nuclear Information System (INIS)

    Large-scale vapor explosion experiments have shown that intimate contact between hot and cold liquids, and a temperature upon contact that is greater than the spontaneous nucleation temperature of the system, are two necessary conditions for the onset of large scale vapor explosions. A model, based on spontaneous nucleation of the homogeneous type, has been proposed to describe the relevant processes and the resulting energetics for explosive boiling systems. The model considers that spontaneous nucleation cannot occur either during the relief time for constant volume heating or until the thermal boundary layer is sufficiently thick to support a vapor cavity of the critical size. After nucleation, bubble growth does not occur until an acoustic wave establishes a pressure gradient in the cold liquid. These considerations lead to the prediction that, for a given temperature, drops greater than a critical size will remain in film boiling due to coalescence of vapor nuclei and drops smaller than this value will wet and be captured by the hot liquid surface. These results are compared to small drop data for well-wetted systems and excellent agreement is obtained between the observed behavior and the model predictions. In conclusion: A model, based on spontaneous nucleation, has been proposed to describe vaporization potential and behavior upon contact in a liquid/liquid system. This behavior is determined by the size of the liquid mass, single-phase pressurization and acoustic relief, nucleation frequency due to random density fluctuations, the initiation of unstable growth and acoustic relief, and the development of the thermal boundary layer in the cold liquid. The proposed model predicts that the stability of a given size drop upon intimate contact with another liquid is extremely dependent upon the interface temperature. For low interface temperatures, large masses will be captured by the hot liquid and the resulting vaporization rates will be extremely low because

  8. The AGS CNI polarimeter

    International Nuclear Information System (INIS)

    A new polarimeter is being installed in the Brookhaven AGS, based on the successful proton-carbon polarimeters in RHIC. The polarimeter will measure the left-right asymmetry for proton-carbon elastic scattering in the Coulomb-nuclear interference (CNI) region, for vertically polarized protons in the AGS. The polarimeter offers a much higher figure of merit than the existing AGS polarimeter which is based on larger angle proton-proton elastic scattering. We expect to measure the polarization in the AGS with a single or a few acceleration cycles. We also plan to measure the polarization in 2 ms bins during the AGS acceleration ramp. Multiple ramps will be necessary, probably over 30 minutes to an hour

  9. Nucleation in a Sheared Liquid Binary Mixture.

    Science.gov (United States)

    Min, Kyung-Yang

    When a binary liquid mixture of lutidine plus water (LW) is quenched to a temperature T and is exposed to a continuous shear rate S, the result is a steady-state droplet distribution. This steady state can be probed by measuring the unscattered intensity I_{f}, or the scattered intensity I_{s}, as a function of delta T and S. In the experiments described here, S is fixed and delta T is varied in a step-wise fashion. The absence of hysteresis was probed in two separate experiments: First, I_{f} was measured as a function of S for a given delta T. Next, I_{f} was measured as a function of delta T for a given S. In either case, the hysteresis associated with the shear-free nucleation is absent. In addition, a flow-history dependent hysteresis was studied. In the 2-dimensional parameter space consisting of S and delta T, the onset of nucleation uniquely determines a cloud point line. A plot of the cloud point line exhibits two segments of different slopes with a cross-over near the temperature corresponding to the Becker-Doring limit. The classical picture of a free energy barrier was reformulated to explain this cross-over behavior. Next, photon correlation spectroscopy was used to study the dependence of the transient nucleation behavior on the initial states. A unique feature of this study is that this initial state can be conveniently adjusted by varying the shear rate S to which the mixture is initially exposed. The shear is then turned off, and the number density N(t), as well as the mean radius of the growing droplets, is monitored as a function of time. It was possible to measure the droplet density at a very early stage of phase separation where the nucleation rate J was close to zero. The measurement reveals that N(t) depends critically on the initial state of the metastable system. When the shear is large enough to rupture the droplets as small as the critical size, N(t) increases very slowly. Measurements of the nucleation rates vs. the square of the

  10. New method for computer analysis of complex intermetallic compounds and nanocluster model of the samson phase Cd3Cu4

    International Nuclear Information System (INIS)

    A new method is proposed for the computer analysis of crystal structures of complex intermetallic compounds (with more than 1000 atoms per unit cell) using a developed algorithm of the complete decomposition of the 3D graph of the structure into nanocluster substructures. This method has been implemented in the TOPOS software package and approved successfully in an analysis of the complex Cu3Cd4 structure (Samson phase). Cu3Cd4 structure models were used to establish a structural relationship between nanoclusters in this intermetallic compound and nanoclusters in other complex crystal structures: ZrZn22, Ru7Mg44, NaCd2, and Mg2Al3.

  11. Coating of hydroxyapatite doped Ag on commercially pure titanium surface

    International Nuclear Information System (INIS)

    This paper presents results of bioactive coating on commercially pure titanium surface (CpTi) doped with Ag ions. The coating consists of 3 steps, in step 1- surface chemical treatment of the samples with NaOH, step 2 - immersing the substrate in question in a sodium silicate solution (SS) to the nucleation and step 3 - reimmersion these substrates in synthetic solution that simulates the blood serum for precipitation and growth of apatite layer. After the coating step the AgNO3 substrates were immersed in solutions with concentrations of 20 ppm and 100 ppm at 37 ° C for 48h. The substrates were characterized by scanning electron microscopy (SEM), infrared spectroscopy (IR) and X-ray diffraction (XRD). By the results verified the formation of an apatite layer with aspects of cells, on the surface of CpTi. The increase in Ag concentration causes an increase in Ag amount doped in apatite layer. With the results we concluded that it is possible to obtain an apatite layer on a metal surface as the CpTi doped with Ag ions

  12. Diamond nucleation on surface of C60 thin layers

    Institute of Scientific and Technical Information of China (English)

    杨国伟; 袁放成; 刘大军; 何金田; 张兵临

    1997-01-01

    Diamond nucleation on the surface of C60 thin layers and intermediate layer of Si substrates are studied by scanning electron microscopy (SEM). The cross-section SEM images of diamond films show that diamond grains really nucleate on the surface of C60 thin layers. The SEM images of diamond nucleating sites show the nucleating aggregation of diamond on C60 surfaces. The preferential oriented diamond films are observed. The plasma pre-treatment of C60 sublimating layers is a key factor for diamond nucleation.

  13. Sensitivity of ice-nucleating bacteria to ultraviolet irradiation

    International Nuclear Information System (INIS)

    The effect of ultraviolet (UV) irradiation on the ice-nucleating activity of the ice-nucleating bacteria was examined. Bacterial suspension was irradiated with UV (254 nm, 6Wx2) for 5 min at a distance of 20 cm from UV source. Although no viable cells were detected, the ice-nucreating activity of the cells was not affected. Furthermore, after UV irradiation for 3 hr, the ice-nucleating activity of Pseudomonas fluorescens and P. syringae was only slightly decreased, although that of P. viridiflava and Erwinia herbicola was significantly lowered. We succeeded in killing the ice-nucleating bacteria, while retaining their ice-nucleating activity with UV irradiation. (author)

  14. Sensitivity of ice-nucleating bacteria to ultraviolet irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Obata, Hitoshi; Tanahashi, Shinji; Kawahara, Hidehisa (Kansai Univ., Suita, Osaka (Japan). Faculty of Engineering)

    1992-01-01

    The effect of ultraviolet (UV) irradiation on the ice-nucleating activity of the ice-nucleating bacteria was examined. Bacterial suspension was irradiated with UV (254 nm, 6Wx2) for 5 min at a distance of 20 cm from UV source. Although no viable cells were detected, the ice-nucreating activity of the cells was not affected. Furthermore, after UV irradiation for 3 hr, the ice-nucleating activity of Pseudomonas fluorescens and P. syringae was only slightly decreased, although that of P. viridiflava and Erwinia herbicola was significantly lowered. We succeeded in killing the ice-nucleating bacteria, while retaining their ice-nucleating activity with UV irradiation. (author).

  15. Graphite Surface Modification by Heterogeneous Nucleation Process

    Institute of Scientific and Technical Information of China (English)

    CAO Ran; LI Hongxia

    2006-01-01

    Flaky graphite particles were coated by ZrOCl2·8H2O as precursors by heterogeneous nucleation process.The effects of factors such as pH values (2.4-5.1),concentration of the precursor solution (0.005-0.1 mol·L-1 ) , mixing method of graphite and precursor solution on the surface modification of graphite were studied. Result shows that: 1) the preferable technical process for heterogeneous nucleation modified graphite is to mix the graphite suspension and precursor solution with concentration 0. 025 mol·L -1 and then drip ammonia water to adjust the pH value to 3.6; 2)By surface modification, the ZrO2 particles are evenly coated on graphite surface and therefore improve oxidation resistance and dispersion ability of graphite.

  16. How does surface wettability influence nucleate boiling?

    Science.gov (United States)

    Phan, Hai Trieu; Caney, Nadia; Marty, Philippe; Colasson, Stéphane; Gavillet, Jérôme

    2009-05-01

    Although the boiling process has been a major subject of research for several decades, its physics still remain unclear and require further investigation. This study aims at highlighting the effects of surface wettability on pool boiling heat transfer. Nanocoating techniques were used to vary the water contact angle from 20° to 110° by modifying nanoscale surface topography and chemistry. The experimental results obtained disagree with the predictions of the classical models. A new approach of nucleation mechanism is established to clarify the nexus between the surface wettability and the nucleate boiling heat transfer. In this approach, we introduce the concept of macro- and micro-contact angles to explain the observed phenomenon. To cite this article: H.T. Phan et al., C. R. Mecanique 337 (2009).

  17. Surface Nanobubble Nucleation Visualized with TIRF Microscopy

    CERN Document Server

    Chan, Chon U

    2012-01-01

    Nanobubbles are observed with optical microscopy using the total internal reflection fluorescence (TIRF) excitation. We report on TIRF visualization using Rhodamine 6G at 5$\\mu\\,$M concentration which results to strongly contrasted pictures. The preferential absorption and the high spatial resolution allow to detect nanobubbles with diameters of 230\\,nm and above. We present a study of the nucleation dynamics from the water-ethanol-water exchange and report the size distributions. Nanobubble nucleation is observed within 4 min after the exchange, later a stable population of nanobubbles with a surface density of 0.55 bubbles\\,/$\\mu$m$^2$ is formed. Interestingly, unstable, slowly dissolving nanobubbles are observed during the first stage of water-ethanol exchange; only after the ethanol-water exchange stable nanobubbles appear.

  18. Inhomogeneous nucleation in quark hadron phase transition

    CERN Document Server

    Shukla, P K; Sen-Gupta, S K; Gleiser, Marcello; Gleiser, Marcelo

    2000-01-01

    The effect of subcritical hadron bubbles on a first-order quark-hadron phase transition is studied. These subcritical hadron bubbles created due to thermal fluctuations introduce a finite amount of phase mixing (quark phase mixed with hadron phase) even at and above the critical temperature. For sufficiently strong transitions, as is expected to be the case for the quark-hadron transition, we show that the amount of phase mixing at the critical temperature remains much below the percolation threshold. Thus, as the system cools below the critical temperature, the transition proceeds through the nucleation of critical-size hadron bubbles from a metastable quark-gluon phase (QGP) within an inhomogeneous background populated by an equilibrium distribution of subcritical hadron bubbles. The inhomogenity of the medium is incorporated consistently by modelling the subcritical bubbles as Gaussian fluctuations, resulting in a large reduction of the nucleation barrier for the critical bubbles. Using the corrected nucle...

  19. Synthesis of functionalized fluorescent gold nanoclusters for acid phosphatase sensing

    Science.gov (United States)

    Sun, Jian; Yang, Fan; Yang, Xiurong

    2015-10-01

    A novel and convenient one-pot but two-step synthesis of fluorescent gold nanoclusters, incorporating glutathione (GSH) and 11-mercaptoundecanoic acid (MUA) as the functionalized ligands (i.e. AuNCs@GSH/MUA), is demonstrated. Herein, the mixing of HAuCl4 and GSH in aqueous solution results in the immediate formation of non-fluorescent GSH-Au+ complexes, and then a class of ~2.6 nm GSH-coated AuNCs (AuNCs@GSH) with mild orange-yellow fluorescence after several days. Interestingly, the intense orange-red emitting ~1.7 nm AuNCs@GSH/MUA can be synthesized within seconds by introducing an alkaline aqueous solution of MUA into the GSH-Au+ complexes or AuNC@GSH solution. Subsequently, a reliable AuNC@GSH/MUA-based real-time assay of acid phosphatase (ACP) is established for the first time, inspired by the selective coordination of Fe3+ with surface ligands of AuNCs, the higher binding affinity between the pyrophosphate ion (PPi) and Fe3+, and the hydrolysis of PPi into orthophosphate by ACP. Our fluorescent chemosensor can also be applied to assay ACP in a real biological sample and, furthermore, to screen the inhibitor of ACP. This report paves a new avenue for synthesizing AuNCs based on either the bottom-up reduction or top-down etching method, establishing real-time fluorescence assays for ACP by means of PPi as the substrate, and further exploring the sensing applications of fluorescent AuNCs.A novel and convenient one-pot but two-step synthesis of fluorescent gold nanoclusters, incorporating glutathione (GSH) and 11-mercaptoundecanoic acid (MUA) as the functionalized ligands (i.e. AuNCs@GSH/MUA), is demonstrated. Herein, the mixing of HAuCl4 and GSH in aqueous solution results in the immediate formation of non-fluorescent GSH-Au+ complexes, and then a class of ~2.6 nm GSH-coated AuNCs (AuNCs@GSH) with mild orange-yellow fluorescence after several days. Interestingly, the intense orange-red emitting ~1.7 nm AuNCs@GSH/MUA can be synthesized within seconds by

  20. Amine Reactivity with Nanoclusters of Sulfuric Acid and Ammonia

    Science.gov (United States)

    Johnston, M. V.; Bzdek, B. R.; DePalma, J.

    2011-12-01

    Alkyl amines have emerged as key species in new particle formation and growth. This interest is reinforced by ambient measurements of amines (e.g. Smith et al., 2010) and enhanced levels of nitrogen (e.g. Bzdek et al., 2011) during growth of newly formed particles. An important mechanism of amine uptake is aminium salt formation, either by substituting for ammonium ions that already exist in the particle or by opening new channels for salt formation that are not favorable with ammonia. This presentation will focus on recent experimental and computational work in our group to study amine uptake into charged nanoclusters of sulfuric acid and ammonia. In the experimental work, clusters are produced by electrospray of an ammonium sulfate solution and then drawn into a Fourier transform ion cyclotron resonance mass spectrometer where a specific cluster is isolated and exposed to amine vapor. We find that amine reactivity is dependent on the size, composition and charge of the isolated cluster. For small clusters of either polarity, all ammonium ions reside on the surface and amine substitution occurs with near unit reaction probability. As the cluster size increases, an ammonium ion can be encapsulated in the center of the cluster, which provides a steric hindrance to amine substitution. Negatively charged clusters are more likely to be acidic than positively charged clusters. For acidic clusters, incoming amine molecules first substitute for preexisting ammonium ions and then add to the cluster until a "neutralized" aminium bisulfate composition is reached. Computational studies of these clusters provide fundamental insight into the thermodynamics and kinetics of amine uptake.

  1. Nucleation of {sup (4)}R brane universes

    Energy Technology Data Exchange (ETDEWEB)

    Cordero, Ruben [Departamento de FIsica, Escuela Superior de FIsica y Matematicas del IPN, Unidad Adolfo Lopez Mateos, Edificio 9, 07738 Mexico, DF (Mexico); Rojas, EfraIn [Facultad de FIsica e Inteligencia Artificial, Universidad Veracruzana, Sebastian Camacho 5, Xalapa, Veracruz, 91000 (Mexico)

    2004-09-07

    The creation of brane universes induced by a totally antisymmetric tensor living in a fixed background spacetime is presented, where a term involving the intrinsic curvature of the brane is considered. A canonical quantum mechanical approach employing the Wheeler-DeWitt equation is used. The probability nucleation for the brane is calculated by means of the corresponding instanton and the WKB approximation. Some cosmological implications from the model are presented.

  2. Nucleation and crystallization in fluoroindate glasses

    OpenAIRE

    Messaddeq, Younes; Delben, A. A. S. T.; Aegerter, Michel A.; Poulain, M.

    1993-01-01

    Devitrification of fluoride glasses of ZBSI and ZBCdSI composition has been studied by non isothermal differential thermal analysis. For all compositions the Avrami exponent n varies between 3 and 4 suggesting a tridimensional interface controlled growth process with a decreasing nucleation rate. For ZBSI glasses, he curves of activation energy and stability parameters versus InF3 concentration show an anomaly for x=35% InF3. No anomaly has been observed for ZBCdSI glasses composition. Mecha...

  3. A nanoscale temperature-dependent heterogeneous nucleation theory

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Y. Y. [Nanosurface Science and Engineering Research Institute, College of Mechatronics and Control Engineering, Shenzhen University, Shenzhen, 518060 Guangdong (China); Yang, G. W., E-mail: stsygw@mail.sysu.edu.cn [State Key Laboratory of Optoelectronic Materials and Technologies, Nanotechnology Research Center, School of Materials Science and Engineering, School of Physics and Engineering, Sun Yat-Sen University, Guangzhou, 510275 Guangdong (China)

    2015-06-14

    Classical nucleation theory relies on the hypothetical equilibrium of the whole nucleation system, and neglects the thermal fluctuations of the surface; this is because the high entropic gains of the (thermodynamically extensive) surface would lead to multiple stable states. In fact, at the nanometer scale, the entropic gains of the surface are high enough to destroy the stability of the thermal equilibrium during nucleation, comparing with the whole system. We developed a temperature-dependent nucleation theory to elucidate the heterogeneous nucleation process, by considering the thermal fluctuations based on classical nucleation theory. It was found that the temperature not only affected the phase transformation, but also influenced the surface energy of the nuclei. With changes in the Gibbs free energy barrier, nucleation behaviors, such as the nucleation rate and the critical radius of the nuclei, showed temperature-dependent characteristics that were different from those predicted by classical nucleation theory. The temperature-dependent surface energy density of a nucleus was deduced based on our theoretical model. The agreement between the theoretical and experimental results suggested that the developed nucleation theory has the potential to contribute to the understanding and design of heterogeneous nucleation at the nanoscale.

  4. Modular construction and hierarchical gelation of organooxotin nanoclusters derived from simple building blocks.

    Science.gov (United States)

    Hahn, Uwe; Hirst, Andrew R; Delgado, Juan Luis; Kaeser, Adrien; Delavaux-Nicot, Béatrice; Nierengarten, Jean-Francois; Smith, David K

    2007-12-14

    Mixtures of an appropriate carboxylic acid and n-butylstannoic acid constitute modular gelation systems, in which the formation of a well-defined 'tin-drum' nanocluster subsequently underpins the hierarchical assembly of nanostructured fibres, which form self-supporting gel-phase networks in organic solvents.

  5. Biophysical mechanism for ras-nanocluster formation and signaling in plasma membrane.

    Directory of Open Access Journals (Sweden)

    Thomas Gurry

    Full Text Available Ras GTPases are lipid-anchored G proteins, which play a fundamental role in cell signaling processes. Electron micrographs of immunogold-labeled Ras have shown that membrane-bound Ras molecules segregate into nanocluster domains. Several models have been developed in attempts to obtain quantitative descriptions of nanocluster formation, but all have relied on assumptions such as a constant, expression-level independent ratio of Ras in clusters to Ras monomers (cluster/monomer ratio. However, this assumption is inconsistent with the law of mass action. Here, we present a biophysical model of Ras clustering based on short-range attraction and long-range repulsion between Ras molecules in the membrane. To test this model, we performed Monte Carlo simulations and compared statistical clustering properties with experimental data. We find that we can recover the experimentally-observed clustering across a range of Ras expression levels, without assuming a constant cluster/monomer ratio or the existence of lipid rafts. In addition, our model makes predictions about the signaling properties of Ras nanoclusters in support of the idea that Ras nanoclusters act as an analog-digital-analog converter for high fidelity signaling.

  6. DFT based study of transition metal nano-clusters for electrochemical NH3 production

    DEFF Research Database (Denmark)

    Howalt, Jakob Geelmuyden; Bligaard, Thomas; Rossmeisl, Jan;

    2013-01-01

    energy profile for the reduction of N2 admolecules and N adatoms on transition metal nanoclusters in contact with an acidic electrolyte. The work has established linear scaling relations for the dissociative reaction intermediates NH, NH2, and NH3. In addition, linear scaling relations...

  7. Atomic-scale structure of single-layer MoS2 nanoclusters

    DEFF Research Database (Denmark)

    Helveg, S.; Lauritsen, J. V.; Lægsgaard, E.;

    2000-01-01

    We have studied using scanning tunneling microscopy (STM) the atomic-scale realm of molybdenum disulfide (MoS2) nanoclusters, which are of interest as a model system in hydrodesulfurization catalysis. The STM gives the first real space images of the shape and edge structure of single-layer MoS2...

  8. Platinum nanoclusters studded in the microporous nanowalls of ordered mesoporous carbon

    Energy Technology Data Exchange (ETDEWEB)

    Choi, W.C.; Woo, S.I.; Jeon, M.K.; Sohn, J.M.; Kim, M.R.; Jeon, H.J. [Center for Ultramicrochemical Process Systems and Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology, 373-1, Kusong-dong, Yusong-gu, Taejon, 305-701 (Korea)

    2005-02-23

    Methanol-tolerant cathode materials for use in direct-methanol fuel cells are composed of ordered mesoporous carbon with walls studded with ultrafine Pt nanoclusters. The material, composed of PtC regularly interconnected nanocomposite arrays, is prepared by pyrolysis of carbon and platinum precursors in silica mesoporous templates such as SBA-15. (Abstract Copyright [2005], Wiley Periodicals, Inc.)

  9. Gold Nanocluster and Quantum Dot Complex in Protein for Biofriendly White-Light-Emitting Material.

    Science.gov (United States)

    Bhandari, Satyapriya; Pramanik, Sabyasachi; Khandelia, Rumi; Chattopadhyay, Arun

    2016-01-27

    We report the synthesis of a biofriendly highly luminescent white-light-emitting nanocomposite. The composite consisted of Au nanoclusters and ZnQ2 complex (on the surface of ZnS quantum dots) embedded in protein. The combination of red, green, and blue luminescence from clusters, complex, and protein, respectively, led to white light generation. PMID:26741861

  10. Vacancies as a constitutive element for the design of nanocluster-strengthened ferritic steels

    Institute of Scientific and Technical Information of China (English)

    M. K. MILLER; C. L. FU; M. KRCMAR; D. T. HOELZER; C. T. LIU

    2009-01-01

    The existence of nanoclusters that are thermo-dynamically stable at elevated temperatures is truly intri-guing because of its scientific implications and potential applications. Highly stable nanoclusters have been observed by atom probe tomography in iron-based alloys at temperatures close to 1400℃ (0.92Tm) that appear to defy the stability constraints of artificially created nano-structured materials. The ~4-nm-diameter Ti-, Y- and O-enriched nanoclusters are identified in the new form of a highly defective material state with vacancies as the criti-cal alloying component and with (Ti + Y):O ratio differ-ent from the stable TiO2 and Y2Ti2O7 oxides. Vacancies play an indispensable role in enhancing the oxygen solu-bility and increasing the oxygen binding energy in the presence of Ti and Y, resulting in the stabilization of coherent nanoclusters. Atom probe tomography charac-terizations and theoretical predictions indicate that vacan-cies can be exploited for the first time as a nanoscale constituent to design materials with far superior high tem-perature properties.

  11. UV-laser-induced nanoclusters in silver ion-exchanged soda-lime silicate glass

    International Nuclear Information System (INIS)

    Excimer-laser irradiation (ArF: 193 nm) was performed on silver-exchanged commercial soda-lime silicate glass. Silver nanoclusters were obtained with an average size dependent on the irradiation time, without subsequent heating. Laser irradiation induces the reduction of silver ions and promotes the silver atoms aggregation

  12. Fabrication of surface magnetic nanoclusters using low energy ion implantation and electron beam annealing

    Science.gov (United States)

    Kennedy, J.; Leveneur, J.; Williams, G. V. M.; Mitchell, D. R. G.; Markwitz, A.

    2011-03-01

    Magnetic nanoclusters have novel applications as magnetic sensors, spintronic and biomedical devices, as well as applications in more traditional materials such as high-density magnetic storage media and high performance permanent magnets. We describe a new synthesis protocol which combines the advantages of ion implantation and electron beam annealing (EBA) to produce surface iron nanoclusters. We compare the structure, composition and magnetic properties of iron nanoclusters fabricated by low dose 15 keV Fe implantation into SiO2 followed by 1000 °C EBA or furnace annealing. Atomic force microscopy (AFM) and high resolution transmission electron microscopy (HRTEM) images together with superconducting quantum interference device (SQUID) magnetometry measurements show that only EBA leads to the rapid formation of surface crystalline Fe spherical nanoclusters, showing magnetic moments per Fe atom comparable to that of bulk bcc Fe and superparamagnetic properties. We propose a fabrication mechanism which includes e-beam enhanced desorption of SiO2. This method has potential for fabricating nanoscale magnetic sensors integrated in microelectronic devices.

  13. Self-Assembled Superparamagnetic Iron Oxide Nanoclusters for Universal Cell Labeling and MRI.

    Science.gov (United States)

    Chen, Shuzhen; Zhang, Jun; Jiang, Shengwei; Lin, Gan; Luo, Bing; Yao, Huan; Lin, Yuchun; He, Chengyong; Liu, Gang; Lin, Zhongning

    2016-12-01

    Superparamagnetic iron oxide (SPIO) nanoparticles have been widely used in a variety of biomedical applications, especially as contrast agents for magnetic resonance imaging (MRI) and cell labeling. In this study, SPIO nanoparticles were stabilized with amphiphilic low molecular weight polyethylenimine (PEI) in an aqueous phase to form monodispersed nanocomposites with a controlled clustering structure. The iron-based nanoclusters with a size of 115.3 ± 40.23 nm showed excellent performance on cellular uptake and cell labeling in different types of cells, moreover, which could be tracked by MRI with high sensitivity. The SPIO nanoclusters presented negligible cytotoxicity in various types of cells as detected using MTS, LDH, and flow cytometry assays. Significantly, we found that ferritin protein played an essential role in protecting stress from SPIO nanoclusters. Taken together, the self-assembly of SPIO nanoclusters with good magnetic properties provides a safe and efficient method for universal cell labeling with noninvasive MRI monitoring capability. PMID:27216601

  14. Photophysical characterization of fluorescent metal nanoclusters sythesized using oligonucleotides, proteins and small reagent moleucles

    Energy Technology Data Exchange (ETDEWEB)

    Yeh, Hsin-chih [Los Alamos National Laboratory; Jaswinder, Sharma K [Los Alamos National Laboratory; Martinez, Jennifer S [Los Alamos National Laboratory; Werner, James H [Los Alamos National Laboratory; Yoo, Hyojong [Los Alamos National Laboratory

    2009-01-01

    The size transition from bulk metals to insulating nanoparticles and eventually to single atoms passes through the relatively unexplored few-atom nanocluster region. With climensions close to the Fermi wavelength, these nanoclusters demonstrate molecule-like properties distinct from bulk metals or atoms, such as discrete and size-tunable electronic transitions which lead to photoluminescence. Current research aims to elucidate the fundamental photophysical properties of the existing metal nanoclusters made by different means and based on different encapsulation agents. Here, we report the study of the photophysical properties, including quantum yields, lifetimes, extinction coefficients, blinking dynamics and sizes, of silver and gold nanoclusters synthesized using oligonucleotides, a protein (bovine serum albumin) and a Good's buffer molecule (MES, 2-(N-morpholino)ethanesulfonic acid) as encapsulation agents. We also investigate the change of photoluminescence under varying conditions (time, temperature and salt). Furthermore, it is demonstrated here that fluorescent metal clusters can be used as a donor in forming resonance energy transfer pairs with a commercial organic quenching dye.

  15. Structural Basis of Actin Filament Nucleation by Tandem W Domains

    Directory of Open Access Journals (Sweden)

    Xiaorui Chen

    2013-06-01

    Full Text Available Spontaneous nucleation of actin is very inefficient in cells. To overcome this barrier, cells have evolved a set of actin filament nucleators to promote rapid nucleation and polymerization in response to specific stimuli. However, the molecular mechanism of actin nucleation remains poorly understood. This is hindered largely by the fact that actin nucleus, once formed, rapidly polymerizes into filament, thus making it impossible to capture stable multisubunit actin nucleus. Here, we report an effective double-mutant strategy to stabilize actin nucleus by preventing further polymerization. Employing this strategy, we solved the crystal structure of AMPPNP-actin in complex with the first two tandem W domains of Cordon-bleu (Cobl, a potent actin filament nucleator. Further sequence comparison and functional studies suggest that the nucleation mechanism of Cobl is probably shared by the p53 cofactor JMY, but not Spire. Moreover, the double-mutant strategy opens the way for atomic mechanistic study of actin nucleation and polymerization.

  16. Kinetic theory of diffusion-limited nucleation

    Science.gov (United States)

    Philippe, T.; Bonvalet, M.; Blavette, D.

    2016-05-01

    We examine binary nucleation in the size and composition space {R,c} using the formalism of the multivariable theory [N. V. Alekseechkin, J. Chem. Phys. 124, 124512 (2006)]. We show that the variable c drops out of consideration for very large curvature of the new phase Gibbs energy with composition. Consequently nuclei around the critical size have the critical composition, which is derived from the condition of criticality for the canonical variables and is found not to depend on surface tension. In this case, nucleation kinetics can be investigated in the size space only. Using macroscopic kinetics, we determine the general expression for the condensation rate when growth is limited by bulk diffusion, which accounts for both diffusion and capillarity and exhibits a different dependence with the critical size, as compared with the interface-limited regime. This new expression of the condensation rate for bulk diffusion-limited nucleation is the counterpart of the classical interface-limited result. We then extend our analysis to multicomponent solutions.

  17. Systematic coarse-graining in nucleation theory

    International Nuclear Information System (INIS)

    In this work, we show that the standard method to obtain nucleation rate-predictions with the aid of atomistic Monte Carlo simulations leads to nucleation rate predictions that deviate 3 − 5 orders of magnitude from the recent brute-force molecular dynamics simulations [Diemand et al., J. Chem. Phys. 139, 074309 (2013)] conducted in the experimental accessible supersaturation regime for Lennard-Jones argon. We argue that this is due to the truncated state space the literature mostly relies on, where the number of atoms in a nucleus is considered the only relevant order parameter. We here formulate the nonequilibrium statistical mechanics of nucleation in an extended state space, where the internal energy and momentum of the nuclei are additionally incorporated. We show that the extended model explains the lack in agreement between the molecular dynamics simulations by Diemand et al. and the truncated state space. We demonstrate additional benefits of using the extended state space; in particular, the definition of a nucleus temperature arises very naturally and can be shown without further approximation to obey the fluctuation law of McGraw and LaViolette. In addition, we illustrate that our theory conveniently allows to extend existing theories to richer sets of order parameters

  18. Black holes as bubble nucleation sites

    International Nuclear Information System (INIS)

    We consider the effect of inhomogeneities on the rate of false vacuum decay. Modelling the inhomogeneity by a black hole, we construct explicit Euclidean instantons which describe the nucleation of a bubble of true vacuum centred on the inhomogeneity. We find that inhomogeneity significantly enhances the nucleation rate over that of the Coleman-de Luccia instanton — the black hole acts as a nucleation site for the bubble. The effect is larger than previously believed due to the contributions to the action from conical singularities. For a sufficiently low initial mass, the original black hole is replaced by flat space during this process, as viewed by a single causal patch observer. Increasing the initial mass, we find a critical value above which a black hole remnant survives the process. This resulting black hole can have a higher mass than the original black hole, but always has a lower entropy. We compare the process to bubble-to-bubble transitions, where there is a semi-classical Lorentzian description in the WKB approximation

  19. Growth of Ag thin films on ZnO(0 0 0 -1) investigated by AES and STM

    Energy Technology Data Exchange (ETDEWEB)

    Duriau, E. [Interuniversity Microelectronic Center (IMEC), SPDT-MCA, Kapeldreef 75, B-3001 Leuven (Belgium); Agouram, S. [Dpto. Fisica Aplicada y Electromagnetismo c/Dr. Moliner no. 50, 46100 Burjassot, Valencia (Spain); Laboratoire de Physique des Materiaux Electroniques (LPME), University of Namur, Rue de Bruxelles 61, B-5000 Namur (Belgium); Morhain, C. [Centre de Recherche sur l' HeteroEpitaxie et ses Applications (CRHEA), CNRS, Rue Bernard Gregory, F-06560 Valbonne Sophia-Antipolis (France); Seldrum, T. [Laboratoire de Physique des Materiaux Electroniques (LPME), University of Namur, Rue de Bruxelles 61, B-5000 Namur (Belgium); Sporken, R. [Laboratoire de Physique des Materiaux Electroniques (LPME), University of Namur, Rue de Bruxelles 61, B-5000 Namur (Belgium); Dumont, J. [Laboratoire de Physique des Materiaux Electroniques (LPME), University of Namur, Rue de Bruxelles 61, B-5000 Namur (Belgium)]. E-mail: jacques.dumont@fundp.ac.be

    2006-11-15

    The growth of Ag films on ZnO(0 0 0 -1) has been investigated by Auger electron spectroscopy (AES) and scanning tunneling microscopy (STM). A high density of islands is nucleated at the earliest stages of the growth. An upstepping mechanism causes these islands to coalesce while the uncovered fraction of the ZnO surface remains constant (30%)

  20. Nucleation reactions during deformation and crystallization of metallic glass

    Energy Technology Data Exchange (ETDEWEB)

    Perepezko, J.H., E-mail: perepezk@engr.wisc.edu [University of Wisconsin-Madison, Department of Materials Science and Engineering, 1509 University Ave., Madison, WI 53706 (United States); Imhoff, S.D. [University of Wisconsin-Madison, Department of Materials Science and Engineering, 1509 University Ave., Madison, WI 53706 (United States); Chen, M.W. [WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Gonzalez, S. [Departament de Fisica, Universitat Autonoma de Barcelona, 08193 Bellaterra (Spain); Inoue, A. [WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan)

    2012-09-25

    Highlights: Black-Right-Pointing-Pointer New approach to the examination and analysis of shear band nucleation. Black-Right-Pointing-Pointer Discovery of multiple shear band nucleation sites. Black-Right-Pointing-Pointer Identification of a method of using transient kinetic behavior to provide a more realistic evaluation of the diffusivity that is relevant to nucleation. - Abstract: Nucleation reactions play a central role in the synthesis of both bulk metallic glasses and nanostructured materials. For nanostructured materials it is necessary to promote a high nucleation density without significant growth or coarsening. Beyond crystallization reactions nucleation of shear bands is critical for promoting a homogeneous flow and useful ductility for structural applications of bulk metallic glass. The study and analysis of nucleation reactions for these different situations requires a consideration of the stochastic nature of nucleation, the influence of heterogeneous sites, and the controlling transport properties. For shear band nucleation, the stochastic nature can be effectively probed by instrumented nanoindentation tests. The analysis of a statistically significant number of measurements of the first pop-in shear band nucleation events reveals at least two main nucleation sites. In nanostructured composites, the initial nucleation stage is influenced by transient effects as reflected in the delay time prior to steady state nucleation and by heterogeneous nucleation sites that are related to medium range order regions in Al-base amorphous alloys. Moreover, the early growth characteristics are linked to the maximum achievable particle density. The new developments and insight on the fundamental understanding of nanostructure reaction mechanisms offer valuable guidance for control of nanoscale microstructures and for promoting ductile deformation behavior.

  1. Optically active red-emitting Cu nanoclusters originating from complexation and redox reaction between copper(ii) and d/l-penicillamine

    Science.gov (United States)

    Long, Tengfei; Guo, Yanjia; Lin, Min; Yuan, Mengke; Liu, Zhongde; Huang, Chengzhi

    2016-05-01

    Despite a significant surge in the number of investigations into both optically active Au and Ag nanostructures, there is currently only limited knowledge about optically active Cu nanoclusters (CuNCs) and their potential applications. Here, we have succeeded in preparing a pair of optically active red-emitting CuNCs on the basis of complexation and redox reaction between copper(ii) and penicillamine (Pen) enantiomers, in which Pen serves as both a reducing agent and a stabilizing ligand. Significantly, the CuNCs feature unique aggregation induced emission (AIE) characteristics and therefore can serve as pH stimuli-responsive functional materials. Impressively, the ligand chirality plays a dramatic role for the creation of brightly emissive CuNCs, attributed to the conformation of racemic Pen being unfavorable for the electrostatic interaction, and thus suppressing the formation of cluster aggregates. In addition, the clusters display potential toward cytoplasmic staining and labelling due to the high photoluminescence (PL) quantum yields (QYs) and remarkable cellular uptake, in spite that no chirality-dependent effects in autophagy and subcellular localization are observed in the application of chiral cluster enantiomer-based cell imaging.Despite a significant surge in the number of investigations into both optically active Au and Ag nanostructures, there is currently only limited knowledge about optically active Cu nanoclusters (CuNCs) and their potential applications. Here, we have succeeded in preparing a pair of optically active red-emitting CuNCs on the basis of complexation and redox reaction between copper(ii) and penicillamine (Pen) enantiomers, in which Pen serves as both a reducing agent and a stabilizing ligand. Significantly, the CuNCs feature unique aggregation induced emission (AIE) characteristics and therefore can serve as pH stimuli-responsive functional materials. Impressively, the ligand chirality plays a dramatic role for the creation of

  2. Inorganic Nanoparticle Nucleation on Polymer Matrices

    Science.gov (United States)

    Kosteleski, Adrian John

    The introduction of inorganic nanoparticles into organic materials enhances both the mechanical and chemical properties of the material. Metallic nanoparticles, like silver and gold, have been introduced into polymers for use as antimicrobial coatings or dielectric materials, respectively. The challenge in creating these materials currently is the difficulty to homogeneously disperse the particles throughout the polymer matrix. The uneven dispersion of nanoparticles can lead to less than optimal quality and undesired properties. By creating a polymer nanocomposite material with well-controlled size inorganic materials that are evenly dispersed throughout the polymer matrix; we can improve the materials performance and properties. The objective for this research is to use polymer networks for the in situ mineralization of silver and other metallic materials to create intricate inorganic structures. The work performed here studied the ability to nucleate silver nanoparticles using poly (acrylic acid) (PAA) as the templating agent. Ionic silver was chemically reduced by sodium borohydride (NaBH4) in the presence of PAA. The effect of varying reactant concentrations of silver, NaBH 4, and PAA on particle size was studied. Reaction conditions in terms of varying temperature and pH levels of the reaction solution were monitored to observe the effect of silver nanoparticle size, shape, and concentration. By monitoring the UV spectra over time the reaction mechanism of the silver reduction process was determined to be an autocatalytic process: a period of slow, continuous nucleation followed by rapid, autocatalytic growth. The reaction kinetics for this autocatalytic process is also reported. PAA was crosslinked both chemically and physically to 3 biopolymers; ELP, an elastin like peptide, cotton fabrics, and calcium alginate hydrogels. Various compositions of PAA were physically crosslinked with calcium alginate gels to design an antimicrobial hydrogel for use in wound

  3. Metal oxide nanocluster-modified TiO2 as solar activated photocatalyst materials.

    Science.gov (United States)

    Fronzi, Marco; Iwaszuk, Anna; Lucid, Aoife; Nolan, Michael

    2016-02-24

    In this review we describe our work on new TiO2 based photocatalysts. The key concept in our work is to form new composite structures by the modification of rutile and anatase TiO2 with nanoclusters of metal oxides and our density functional theory (DFT) level simulations are validated by experimental work synthesizing and characterizing surface-modified TiO2. We use DFT to show that nanoclusters of different metal oxides, TiO2, SnO/SnO2, PbO/PbO2, NiO and CuO can be adsorbed at rutile and anatase surfaces and can induce red shifts in the absorption edge to enable visible light absorption which is the first key requirement for a practical photocatalyst. We furthermore determine the origin of the red shift and discuss the factors influencing this shift and the fate of excited electrons and holes. For p-block metal oxides we show how the oxidation state of Sn and Pb can be used to tune both the magnitude of the red shift and also its mechanism. Finally, aiming to make our models more realistic, we present some new results on the stability of water at rutile and anatase surfaces and the effect of water on oxygen vacancy formation and on nanocluster modification. These nanocluster-modified TiO2 structures form the basis of a new class of photocatalysts which will be useful in oxidation reactions and with the suitable choice of nanocluster modifier can be applied to CO2 reduction. PMID:26808905

  4. Formation of nanoclusters on silicon from carbon deposition

    International Nuclear Information System (INIS)

    Changes in the structure of silicon surfaces can be induced by adsorption of carbon-containing molecules followed by thermal treatments. Clean Si(111) surfaces, prepared in vacuum and exposed to different adsorbants such as methanol or carbon monoxide, change their structures with the formation of self-organised nanostructures (15-50 nm diameter) after suitable UHV annealing procedures. Evolution of the size and density per unit area over different heating periods indicates that the structures are nucleated by carbon atoms present on the surface while their growth derives from mobile surface silicon atoms during the annealing process. Methanol adsorbs dissociatively on silicon at room temperature thus leading to a high density of nucleation centres, but when the process is applied to partially oxide-masked silicon surfaces using CO as adsorbant the nanostructures form preferentially at the Si/SiO2 interface around the mask border thus offering the possibility to grow more ordered self-organised nanoscale patterns. Monte Carlo simulations of this process correlate well with STM measurements

  5. Influence of aerosol lifetime on the interpretation of nucleation experiments with respect to the first nucleation theorem

    Directory of Open Access Journals (Sweden)

    S. Ehrhart

    2013-04-01

    Full Text Available The SAWNUC microphysical aerosol nucleation model is used to study the effect of reactor walls on the interpretation of nucleation experiments with respect to nucleation theory. This work shows that loss processes, such as wall losses, influence the interpretation of nucleation experiments, especially at low growth rates and short lifetime of freshly nucleated particles. In these cases the power dependency of the formation rates, determined at a certain particle size, with respect to H2SO4 does not correspond to the approximate number of H2SO4 molecules in the critical cluster as expected by the first nucleation theorem. Observed ∂log(J/∂log([H2SO4] therefore can vary widely for identical nucleation conditions but different sink terms.

  6. The ice nucleation activity of biological aerosols

    Science.gov (United States)

    Grothe, H.; Pummer, B.; Bauer, H.; Bernardi, J.

    2012-04-01

    Primary Biological Aerosol Particles (PBAPs), including bacteria, spores and pollen may be important for several atmospheric processes. Particularly, the ice nucleation caused by PBAPs is a topic of growing interest, since their impact on ice cloud formation and thus on radiative forcing, an important parameter in global climate is not yet fully understood. In laboratory model studies we investigated the ice nucleation activity of selected PBAPs. We studied the immersion mode freezing using water-oil emulsion, which we observed by optical microscopy. We particularly focused on pollen. We show that pollen of different species strongly differ in their ice nucleation behavior. The average freezing temperatures in laboratory experiments range from 240 K to 255 K. As the most efficient nuclei (silver birch, Scots pine and common juniper pollen) have a distribution area up to the Northern timberline, their ice nucleation activity might be a cryoprotective mechanism. For comparison the ice nucleation activity of Snomax, fungal spores, and mushrooms will be discussed as well. In the past, pollen have been rejected as important atmospheric IN, as they are not as abundant in the atmosphere as bacteria or mineral dust and are too heavy to reach higher altitudes. However, in our experiments (Pummer et al. 2011) it turned out that water, which had been in contact with pollen and then been separated from the bodies, nucleates as good as the pollen grains themselves. So the ice nuclei have to be easily-suspendable macromolecules (100-300 kDa) located on the pollen. Once extracted, they can be distributed further through the atmosphere than the heavy pollen grains and so augment the impact of pollen on ice cloud formation even in the upper troposphere. It is widely known, that material from the pollen, like allergens and sugars, can indeed leave the pollen body and be distributed independently. The most probable mechanism is the pollen grain bursting by rain, which releases

  7. Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity

    Energy Technology Data Exchange (ETDEWEB)

    Cox, Stephen J.; Kathmann, Shawn M.; Slater, B.; Michaelides, Angelos

    2015-05-14

    Ice formation is one of the most common and important processes on earth and almost always occurs at the surface of a material. A basic understanding of how the physicochemical properties of a material’s surface affect its ability to form ice has remained elusive. Here, we use molecular dynamics simulations to directly probe heterogeneous ice nucleation at a hexagonal surface of a nanoparticle of varying hydrophilicity. Surprisingly, we find that structurally identical surfaces can both inhibit and promote ice formation and analogous to a chemical catalyst, it is found that an optimal interaction between the surface and the water exists for promoting ice nucleation.We use our microscopic understanding of the mechanism to design a modified surface in silico with enhanced ice nucleating ability. C 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.

  8. Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity.

    Science.gov (United States)

    Cox, Stephen J; Kathmann, Shawn M; Slater, Ben; Michaelides, Angelos

    2015-05-14

    Ice formation is one of the most common and important processes on earth and almost always occurs at the surface of a material. A basic understanding of how the physicochemical properties of a material's surface affect its ability to form ice has remained elusive. Here, we use molecular dynamics simulations to directly probe heterogeneous ice nucleation at a hexagonal surface of a nanoparticle of varying hydrophilicity. Surprisingly, we find that structurally identical surfaces can both inhibit and promote ice formation and analogous to a chemical catalyst, it is found that an optimal interaction between the surface and the water exists for promoting ice nucleation. We use our microscopic understanding of the mechanism to design a modified surface in silico with enhanced ice nucleating ability. PMID:25978902

  9. Synthesis and properties of polyamide-Ag2S composite based solar energy absorber surfaces

    Science.gov (United States)

    Krylova, Valentina; Baltrusaitis, Jonas

    2013-10-01

    Silver sulfide (Ag2S), an efficient solar light absorber, was synthesized using a modified chemical bath deposition (CBD) method and polyamide 6 (PA) as a host material via solution phase reaction between AgNO3 and Na2S2O3. X-ray diffraction (XRD) data showed a single, α-Ag2S (acanthite), crystalline phase present while surface and bulk chemical analyses, performed using X-ray photoelectron (XPS) and energy dispersive (EDS) spectroscopies, showed 2:1 Ag:S ratio. Direct and indirect bandgaps obtained from Tauc plots were 1.3 and 2.3 eV, respectively. Detailed surface chemical analysis showed the presence of three distinct sulfur species with majority component due to the Ag2S chemical bonds and minority components due to two types of oxygen-sulfur bonds. Conductivity of the resulting composite material was shown to change with the reaction time thus enabling to obtain controlled conductivity composite material. The synthesis method presented is based on the low solubility of Ag2S and is potentially green, no by-product producing, as all Ag2S nucleated outside the host material can be recycled into the process via dissolving it in HNO3.

  10. Synthesis and properties of polyamide–Ag{sub 2}S composite based solar energy absorber surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Krylova, Valentina, E-mail: valentina.krylova@ktu.lt [Department of Inorganic Chemistry, Kaunas University of Technology, Radvilenu st. 19, LT-50254 Kaunas (Lithuania); Baltrusaitis, Jonas, E-mail: j.baltrusaitis@utwente.nl [PhotoCatalytic Synthesis Group, MESA Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands)

    2013-10-01

    Silver sulfide (Ag{sub 2}S), an efficient solar light absorber, was synthesized using a modified chemical bath deposition (CBD) method and polyamide 6 (PA) as a host material via solution phase reaction between AgNO{sub 3} and Na{sub 2}S{sub 2}O{sub 3}. X-ray diffraction (XRD) data showed a single, α-Ag{sub 2}S (acanthite), crystalline phase present while surface and bulk chemical analyses, performed using X-ray photoelectron (XPS) and energy dispersive (EDS) spectroscopies, showed 2:1 Ag:S ratio. Direct and indirect bandgaps obtained from Tauc plots were 1.3 and 2.3 eV, respectively. Detailed surface chemical analysis showed the presence of three distinct sulfur species with majority component due to the Ag{sub 2}S chemical bonds and minority components due to two types of oxygen–sulfur bonds. Conductivity of the resulting composite material was shown to change with the reaction time thus enabling to obtain controlled conductivity composite material. The synthesis method presented is based on the low solubility of Ag{sub 2}S and is potentially green, no by-product producing, as all Ag{sub 2}S nucleated outside the host material can be recycled into the process via dissolving it in HNO{sub 3}.

  11. Homogeneous vs. heterogeneous nucleation in water-dicarboxylic acid systems

    Directory of Open Access Journals (Sweden)

    A. I. Hienola

    2008-10-01

    Full Text Available Binary heterogeneous nucleation of water-succinic/glutaric/malonic/adipic acid on nanometer-sized particles is investigated within the frame of classical heterogeneous nucleation theory. Homogeneous nucleation is also included for comparison. It is found that the nucleation probabilities depend on the contact angle and on the size of the seed particles. New thermodynamical properties, such as saturation vapor pressure, density and surface tension for all the dicarboxylic acid aqueous solutions are included in the calculations. While the new surface tension and density formulations do not bring any significant difference in the computed nucleation rate for homogeneous nucleation for succinic and glutaric acids, the use of the newly derived equations for the vapor pressure decrease the acid concentrations in gas phase with 3 orders of magnitude. According to our calculations, the binary heterogeneous nucleation of succinic acid-water and glutaric acid-water – although it requires a 3–4 orders of magnitude lower vapor concentrations than the homogeneous nucleation – cannot take place in atmospheric conditions. On the other hand binary homogeneous nucleation of adipic acid-water systems might be possible in conditions occuring in upper boundary layer. However, a more detailed characterization of the interaction between the surface and the molecules of the nucleating vapor should be considered in the future.

  12. Effects of shear flow on phase nucleation and crystallization

    Science.gov (United States)

    Mura, Federica; Zaccone, Alessio

    2016-04-01

    Classical nucleation theory offers a good framework for understanding the common features of new phase formation processes in metastable homogeneous media at rest. However, nucleation processes in liquids are ubiquitously affected by hydrodynamic flow, and there is no satisfactory understanding of whether shear promotes or slows down the nucleation process. We developed a classical nucleation theory for sheared systems starting from the molecular level of the Becker-Doering master kinetic equation and we analytically derived a closed-form expression for the nucleation rate. The theory accounts for the effect of flow-mediated transport of molecules to the nucleus of the new phase, as well as for the mechanical deformation imparted to the nucleus by the flow field. The competition between flow-induced molecular transport, which accelerates nucleation, and flow-induced nucleus straining, which lowers the nucleation rate by increasing the nucleation energy barrier, gives rise to a marked nonmonotonic dependence of the nucleation rate on the shear rate. The theory predicts an optimal shear rate at which the nucleation rate is one order of magnitude larger than in the absence of flow.

  13. Rate of Homogenous Nucleation of Ice in Supercooled Water.

    Science.gov (United States)

    Atkinson, James D; Murray, Benjamin J; O'Sullivan, Daniel

    2016-08-25

    The homogeneous freezing of water is of fundamental importance to a number of fields, including that of cloud formation. However, there is considerable scatter in homogeneous nucleation rate coefficients reported in the literature. Using a cold stage droplet system designed to minimize uncertainties in temperature measurements, we examined the freezing of over 1500 pure water droplets with diameters between 4 and 24 μm. Under the assumption that nucleation occurs within the bulk of the droplet, nucleation rate coefficients fall within the spread of literature data and are in good agreement with a subset of more recent measurements. To quantify the relative importance of surface and volume nucleation in our experiments, where droplets are supported by a hydrophobic surface and surrounded by oil, comparison of droplets with different surface area to volume ratios was performed. From our experiments it is shown that in droplets larger than 6 μm diameter (between 234.6 and 236.5 K), nucleation in the interior is more important than nucleation at the surface. At smaller sizes we cannot rule out a significant contribution of surface nucleation, and in order to further constrain surface nucleation, experiments with smaller droplets are necessary. Nevertheless, in our experiments, it is dominantly volume nucleation controlling the observed nucleation rate. PMID:27410458

  14. Aging kinetics in the Cu-8 wt.% Al alloy with Ag additions

    Energy Technology Data Exchange (ETDEWEB)

    Adorno, A.T.; Guerreiro, M.R.; Silva, R.A.G

    2003-05-12

    The influence of additions of 2, 4, 6, 8, 10 and 12 wt.% Ag in the isothermal aging kinetics of the Cu-8 wt.% Al alloy was studied using microhardness measurements, differential scanning calorimetry, optical and scanning electron microscopy and X-ray diffractometry. The results indicate that the presence of silver is responsible for the shift of the equilibrium concentration to higher Al contents, allowing the formation of the {gamma}{sub 1} phase (Al{sub 4}Cu{sub 9}) in this alloy. For Ag additions up to 6% the dominant kinetic process is Ag precipitation and for additions from 8 to 12% Ag the nucleation of the perlitic phase dominates.

  15. Atmospheric nucleation: highlights of the EUCAARI project and future directions

    Directory of Open Access Journals (Sweden)

    V.-M. Kerminen

    2010-11-01

    Full Text Available Within the project EUCAARI (European Integrated project on Aerosol Cloud Climate and Air Quality interactions, atmospheric nucleation was studied by (i developing and testing new air ion and cluster spectrometers, (ii conducting homogeneous nucleation experiments for sulphate and organic systems in the laboratory, (iii investigating atmospheric nucleation mechanism under field conditions, and (iv applying new theoretical and modelling tools for data interpretation and development of parameterisations. The current paper provides a synthesis of the obtained results and identifies the remaining major knowledge gaps related to atmospheric nucleation. The most important technical achievement of the project was the development of new instruments for measuring sub-3 nm particle populations, along with the extensive application of these instruments in both the laboratory and the field. All the results obtained during EUCAARI indicate that sulphuric acid plays a central role in atmospheric nucleation. However, also vapours other than sulphuric acid are needed to explain the nucleation and the subsequent growth processes, at least in continental boundary layers. Candidate vapours in this respect are some organic compounds, ammonia, and especially amines. Both our field and laboratory data demonstrate that the nucleation rate scales to the first or second power of the nucleating vapour concentration(s. This agrees with the few earlier field observations, but is in stark contrast with classical thermodynamic nucleation theories. The average formation rates of 2-nm particles were found to vary by almost two orders of magnitude between the different EUCAARI sites, whereas the formation rates of charged 2-nm particles varied very little between the sites. Overall, our observations are indicative of frequent, yet moderate, ion-induced nucleation usually outweighed by much stronger neutral nucleation events in the continental lower troposphere. The most concrete

  16. Electrochemistry and the mechanisms of nucleation and growth of neodymium during electroreduction from LiCl–KCl eutectic salts on Mo substrate

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Hao [Key Laboratory of Superlight Materials and Surface Technology, Ministry of Education, College of Materials Science and Chemical Engineering, Harbin Engineering University, Harbin 150001 (China); Department of Chemical and Materials Engineering, University of Idaho, Moscow, ID 83844 (United States); Pesic, Batric, E-mail: pesic@uidaho.edu [Department of Chemical and Materials Engineering, University of Idaho, Moscow, ID 83844 (United States)

    2015-03-15

    The electrochemical behavior of NdCl{sub 3} was studied on a Mo electrode in molten LiCl–KCl eutectic salts. The electroreduction of Nd(III)/Nd(0) involved two reaction steps, as confirmed by three different electrochemical techniques. In the first reaction step, Nd(III) is converted into soluble Nd(II), which undergoes further reduction into metallic Nd(0) in the second reaction step. The standard reaction rate constants for each reaction step were determined by Nicholson method. The rate constant values were used in Matsuda-Ayabe’s criteria for testing the electrochemical reversibility. Accordingly, both reaction steps were quasi-reversible redox reactions. The nucleation mechanisms of neodymium metal deposited on a Mo substrate were predicted by using Scharifker–Hill model, and tested for the first time by scanning electron microscopy (SEM) studies of the electrode surface. The SEM studies confirmed that for the low initial concentration of NdCl{sub 3}, neodymium nucleates and grows progressively, while for higher NdCl{sub 3} concentrations, the related mechanism is instantaneous. Both are governed by the aggregative growth mechanisms based on surface mobility of formed nanoclusters.

  17. Electrochemistry and the mechanisms of nucleation and growth of neodymium during electroreduction from LiCl–KCl eutectic salts on Mo substrate

    International Nuclear Information System (INIS)

    The electrochemical behavior of NdCl3 was studied on a Mo electrode in molten LiCl–KCl eutectic salts. The electroreduction of Nd(III)/Nd(0) involved two reaction steps, as confirmed by three different electrochemical techniques. In the first reaction step, Nd(III) is converted into soluble Nd(II), which undergoes further reduction into metallic Nd(0) in the second reaction step. The standard reaction rate constants for each reaction step were determined by Nicholson method. The rate constant values were used in Matsuda-Ayabe’s criteria for testing the electrochemical reversibility. Accordingly, both reaction steps were quasi-reversible redox reactions. The nucleation mechanisms of neodymium metal deposited on a Mo substrate were predicted by using Scharifker–Hill model, and tested for the first time by scanning electron microscopy (SEM) studies of the electrode surface. The SEM studies confirmed that for the low initial concentration of NdCl3, neodymium nucleates and grows progressively, while for higher NdCl3 concentrations, the related mechanism is instantaneous. Both are governed by the aggregative growth mechanisms based on surface mobility of formed nanoclusters

  18. Absorption and luminescence of silver nanocomposite soda-lime glass formed by Ag+-Na+ ion-exchange

    International Nuclear Information System (INIS)

    Metal nanocomposite glasses are formed by a multi step methodology which involves incorporation of the metal ions into the glass by ion-exchange process followed by suitable treatments like low mass ion irradiation or thermal annealing resulting in the aggregation of the metal ions to form nano dimension metal clusters. These embedded metal nanoclusters are well investigated by the optical absorption spectroscopy which gives information regarding the size and shape of the metal clusters embedded in the dielectric matrix. The Ag+ ion-exchanged and annealed soda-lime glasses exhibit photoluminescence around 445 nm at two excitation wavelengths. He+ ion irradiation of the ion-exchanged soda-lime glass resulted in the formation of Ag metal nano crystallites with a thin metal film on the irradiated surface. The Glancing incidence X-ray diffraction study confirmed the formation of Ag nano crystals inside the dielectric matrix. Photoluminescence vanished in the irradiated samples with the neutralization of Ag+ ions into Ag metal nano crystallites

  19. CTAB-mediated synthesis and characterization of ZnO/Ag core–shell nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Khan, Majid; Wei, Chengsha; Chen, Mingming; Tao, Jiaojiao; Huang, Ningdong; Qi, Zeming, E-mail: zmqi@ustc.edu.cn; Li, Liangbin

    2014-11-05

    Graphical abstract: Simplified schematic process for ZnO NRs/Ag nanocomposites. - Highlights: • A new simple and facile approach to synthesize ZnO NRs/Ag core–shell nanocomposite. • The annealing improves the crystallinity and bond strength between Ag and ZnO. • CTAB and AgNO3 greatly affect the formation of ZnO NRs/Ag core–shell. • Strong interfacial interaction between Ag nanoparticles and ZnO nanorods. - Abstract: In this paper, ZnO/Ag core–shell hybrid nanocomposites have been prepared by a very simple chemical methodology. ZnO nanorods were employed as core material for Ag seeds, and subsequent nucleation and growth of Ag nanoparticle by a cationic surfactant cetyltrimethylammonium bromide (CTAB) formed the ZnO NRs/Ag core–shell nanocomposites. In addition, their morphology, microstructure and optical properties have been characterized by X-ray diffraction, Raman Spectroscopy, field emission scanning electron microscopy, transmission electron microscopy, UV–Vis absorption and photoluminescence spectroscopy. It was found that face-center-cubic Ag nanoparticles with an average diameter of 20 nm were coated onto the surface of hexagonal phase ZnO nanorods with a minimum of 0.09 mmol concentration of CTAB. The excitonic absorption band and surface plasmon absorption band of the ZnO NRs/Ag nanocomposites revealed red-shifts relative to pure ZnO nanorods and metallic Ag nanoparticles. The coating of Ag nanoparticles onto the ZnO nanorods show red-shift in the near band edge (NBE) luminescence spectra and a reasonable detraction in the deep level emission (DLE) spectra compared with the pure ZnO nanorods. These interpretations demonstrated the strong interfacial interaction between Ag nanoparticles and ZnO nanorods. Furthermore, the annealing of ZnO NRs/Ag nanocomposite at 200 °C was done and improvement occurs in the crystallinity and binding strength of Ag nanoparticles.

  20. Kinetics of hole nucleation in biomembrane rupture

    Science.gov (United States)

    Evans, Evan; Smith, Benjamin A.

    2011-09-01

    The core component of a biological membrane is a fluid-lipid bilayer held together by interfacial-hydrophobic and van der Waals interactions, which are balanced for the most part by acyl chain entropy confinement. If biomembranes are subjected to persistent tensions, an unstable (nanoscale) hole will emerge at some time to cause rupture. Because of the large energy required to create a hole, thermal activation appears to be requisite for initiating a hole and the activation energy is expected to depend significantly on mechanical tension. Although models exist for the kinetic process of hole nucleation in tense membranes, studies of membrane survival have failed to cover the ranges of tension and lifetime needed to critically examine nucleation theory. Hence, rupturing giant (~20 μm) membrane vesicles ultra-slowly to ultra-quickly with slow to fast ramps of tension, we demonstrate a method to directly quantify kinetic rates at which unstable holes form in fluid membranes, at the same time providing a range of kinetic rates from 100 s-1. Measuring lifetimes of many hundreds of vesicles, each tensed by precision control of micropipette suction, we have determined the rates of failure for vesicles made from several synthetic phospholipids plus 1:1 mixtures of phospho- and sphingo-lipids with cholesterol, all of which represent prominent constituents of eukaryotic cell membranes. Plotted on a logarithmic scale, the failure rates for vesicles are found to rise dramatically with an increase in tension. Converting the experimental profiles of kinetic rates into changes of activation energy versus tension, we show that the results closely match expressions for thermal activation derived from a combination of meso-scale theory and molecular-scale simulations of hole formation. Moreover, we demonstrate a generic approach to transform analytical fits of activation energies obtained from rupture experiments into energy landscapes characterizing the process of hole nucleation

  1. Identification & Characterization of Fungal Ice Nucleation Proteins

    Science.gov (United States)

    Scheel, Jan Frederik; Kunert, Anna Theresa; Kampf, Christopher Johannes; Mauri, Sergio; Weidner, Tobias; Pöschl, Ulrich; Fröhlich-Nowoisky, Janine

    2016-04-01

    Freezing of water at relatively warm subfreezing temperatures is dependent on ice nucleation catalysis facilitated by ice nuclei (IN). These IN can be of various origins and although extensive research was done and progress was achieved, the nature and mechanisms leading to an effective IN are to date still poorly understood. Some of the most important processes of our geosphere like the water cycle are highly dependent on effective ice nucleation at temperatures between -2°C - -8°C, a temperature range which is almost exclusively covered by biological IN (BioIN). BioIN are usually macromolecular structures of biological polymers. Sugars as well as proteins have been reported to serve as IN and the best characterized BioIN are ice nucleation proteins (IN-P) from gram negative bacteria. Fungal strains from Fusarium spp. were described to be effective IN at subfreezing temperatures up to -2°C already 25 years ago and more and more fungal species are described to serve as efficient IN. Fungal IN are also thought to be proteins or at least contain a proteinaceous compound, but to date the fungal IN-P primary structure as well as their coding genetic elements of all IN active fungi are unknown. The aim of this study is a.) to identify the proteins and their coding genetic elements from IN active fungi (F. acuminatum, F. avenaceum, M. alpina) and b.) to characterize the mechanisms by which fungal IN serve as effective IN. We designed an interdisciplinary approach using biological, analytical and physical methods to identify fungal IN-P and describe their biological, chemical, and physical properties.

  2. Kinetics of hole nucleation in biomembrane rupture

    Energy Technology Data Exchange (ETDEWEB)

    Evans, Evan [Biomedical Engineering, Boston University, Boston, MA 02215 (United States); Smith, Benjamin A, E-mail: evanse@bu.edu [Departments of Physics and Pathology, University of British Columbia, Vancouver, BC, V6T 2A6 (Canada)

    2011-09-15

    The core component of a biological membrane is a fluid-lipid bilayer held together by interfacial-hydrophobic and van der Waals interactions, which are balanced for the most part by acyl chain entropy confinement. If biomembranes are subjected to persistent tensions, an unstable (nanoscale) hole will emerge at some time to cause rupture. Because of the large energy required to create a hole, thermal activation appears to be requisite for initiating a hole and the activation energy is expected to depend significantly on mechanical tension. Although models exist for the kinetic process of hole nucleation in tense membranes, studies of membrane survival have failed to cover the ranges of tension and lifetime needed to critically examine nucleation theory. Hence, rupturing giant ({approx}20 {mu}m) membrane vesicles ultra-slowly to ultra-quickly with slow to fast ramps of tension, we demonstrate a method to directly quantify kinetic rates at which unstable holes form in fluid membranes, at the same time providing a range of kinetic rates from <0.01 to >100 s{sup -1}. Measuring lifetimes of many hundreds of vesicles, each tensed by precision control of micropipette suction, we have determined the rates of failure for vesicles made from several synthetic phospholipids plus 1:1 mixtures of phospho- and sphingo-lipids with cholesterol, all of which represent prominent constituents of eukaryotic cell membranes. Plotted on a logarithmic scale, the failure rates for vesicles are found to rise dramatically with an increase in tension. Converting the experimental profiles of kinetic rates into changes of activation energy versus tension, we show that the results closely match expressions for thermal activation derived from a combination of meso-scale theory and molecular-scale simulations of hole formation. Moreover, we demonstrate a generic approach to transform analytical fits of activation energies obtained from rupture experiments into energy landscapes characterizing the

  3. Ice nucleation temperature of individual leaves in relation to population sizes of ice nucleation active bacteria and frost injury.

    Science.gov (United States)

    Hirano, S S; Baker, L S; Upper, C D

    1985-02-01

    Ice nucleation temperatures of individual leaves were determined by a tube nucleation test. With this assay, a direct quantitative relationship was obtained between the temperatures at which ice nucleation occurred on individual oat (Avena sativa L.) leaves and the population sizes of ice nucleation active (INA) bacteria present on those leaves. In the absence of INA bacteria, nucleation of supercooled growth-chamber grown oat leaves did not occur until temperatures were below approximately -5 degrees C. Both nucleation temperature and population size of INA bacteria were determined on the same individual, field-grown oat leaves. Leaves with higher ice nucleation temperatures harbored larger populations of INA bacteria than did leaves with lower nucleation temperatures. Log(10) mean populations of INA bacteria per leaf were 5.14 and 3.51 for leaves with nucleation temperatures of -2.5 degrees C and -3.0 degrees C, respectively. Nucleation frequencies (the ratio of ice nuclei to viable cells) of INA bacteria on leaves were lognormally distributed. Strains from two very different collections of Pseudomonas syringae and one of Erwinia herbicola were cultured on nutrient glycerol agar and tested for nucleation frequency at -5 degrees C. Nucleation frequencies of these bacterial strains were also lognormally distributed within each of the three sets. The tube nucleation test was used to determine the frequency with which individual leaves in an oat canopy harbored large populations of INA bacteria throughout the growing season. This test also predicted relative frost hazard to tomato (Lycopersicon esculentum Mill) plants. PMID:16664039

  4. Solute Nucleation and Growth in Supercritical Fluid Mixtures

    Science.gov (United States)

    Smedley, Gregory T.; Wilemski, Gerald; Rawlins, W. Terry; Joshi, Prakash; Oakes, David B.; Durgin, William W.

    1996-01-01

    This research effort is directed toward two primary scientific objectives: (1) to determine the gravitational effect on the measurement of nucleation and growth rates near a critical point and (2) to investigate the nucleation process in supercritical fluids to aid in the evaluation and development of existing theoretical models and practical applications. A nucleation pulse method will be employed for this investigation using a rapid expansion to a supersaturated state that is maintained for approximately 1 ms followed by a rapid recompression to a less supersaturated state that effectively terminates nucleation while permitting growth to continue. Nucleation, which occurs during the initial supersaturated state, is decoupled from growth by producing rapid pressure changes. Thermodynamic analysis, condensation modeling, apparatus design, and optical diagnostic design necessary for the initiation of a theoretical and experimental investigation of naphthalene nucleation from supercritical CO2 have been completed.

  5. Aerosol nucleation induced by a high energy particle beam

    DEFF Research Database (Denmark)

    Enghoff, Martin Andreas Bødker; Pedersen, Jens Olaf Pepke; Uggerhøj, Ulrik I.;

    atmospheric conditions using a 580 MeV electron beam to ionize the volume of the reaction chamber. We find a clear and significant contribution from ion induced nucleation and consider this to be an unambiguous observation of the ion-effect on aerosol nucleation using a particle beam under conditions not far......The effect of ions in aerosol nucleation is a subject where much remains to be discovered. That ions can enhance nucleation has been shown by theory, observations, and experiments. However, the exact mechanism still remains to be determined. One question is if the nature of the ionization affects...... the nucleation. This is an essential question since many experiments have been performed using radioactive sources that ionize differently than the cosmic rays which are responsible for the majority of atmospheric ionization. Here we report on an experimental study of sulphuric acid aerosol nucleation under near...

  6. Revision of the classical nucleation theory for supersaturated solutions

    CERN Document Server

    Borisenko, Alexander

    2015-01-01

    During the processes of nucleation and growth of a precipitate cluster from a supersaturated solution, the diffusion flux between the cluster and the solution changes the solute concentration near the cluster-solution interface from its average bulk value. This feature affects the rates of attachment and detachment of solute atoms at the interface and, therefore, alters the entire nucleation kinetics. Unless quite obvious, this effect has been ignored in the classical nucleation theory. To illustrate the results of this new approach, for the case of homogeneous nucleation, we calculate the total solubility (including the contribution from heterophase fluctuations) and the nucleation rate as functions of two parameters of the model and compare these results to the classical ones. One can conclude that discrepancies with the classical nucleation theory are great in the diffusion-limited regime, when the bulk diffusion mobility of solute atoms is small compared to the interfacial one, while in the opposite inter...

  7. Kinetics of Ice Nucleation Confined in Nanoporous Alumina.

    Science.gov (United States)

    Suzuki, Yasuhito; Steinhart, Martin; Butt, Hans-Jürgen; Floudas, George

    2015-09-01

    The nucleation mechanism of water (heterogeneous/homogeneous) can be regulated by confinement within nanoporous alumina. The kinetics of ice nucleation is studied in confinement by employing dielectric permittivity as a probe. Both heterogeneous and homogeneous nucleation, obtained at low and high undercooling, respectively, are stochastic in nature. The temperature interval of metastability extends over ∼4 and 0.4 °C for heterogeneous and homogeneous nucleation, respectively. Nucleation within a pore is spread to all pores in the template. We have examined a possible coupling of all pores through a heat wave and a sound wave, with the latter being a more realistic scenario. In addition, dielectric spectroscopy indicates that prior to crystallization undercooled water molecules relax with an activation energy of ∼50 kJ/mol, and this process acts as precursor to ice nucleation. PMID:26241561

  8. Heterogeneous ice nucleation: bridging stochastic and singular freezing behavior

    Directory of Open Access Journals (Sweden)

    D. Niedermeier

    2011-01-01

    Full Text Available Heterogeneous ice nucleation, a primary pathway for ice formation in the atmosphere, has been described alternately as being stochastic, in direct analogy with homogeneous nucleation, or singular, with ice nuclei initiating freezing at deterministic temperatures. We present an idealized model that bridges these stochastic and singular descriptions of heterogeneous ice nucleation. This "soccer ball" model treats statistically similar particles as being covered with surface sites (patches of finite area characterized by different nucleation barriers, but with each surface site following the stochastic nature of ice embryo formation. The model provides a phenomenological explanation for seemingly contradictory experimental results obtained in our research groups. We suggest that ice nucleation is fundamentally a stochastic process but that for realistic atmospheric particle populations this process can be masked by the heterogeneity of surface properties. Full evaluation of the model will require experiments with well characterized ice nucleating particles and the ability to vary both temperature and waiting time for freezing.

  9. Growth and characterization of ZnO multipods on functional surfaces with different sizes and shapes of Ag particles

    Institute of Scientific and Technical Information of China (English)

    A Kamalianfar; S A Halim; Mahmoud Godarz Naseri; M Navasery; Fasih Ud Din; J A M Zahedi; Kasra Behzad

    2013-01-01

    Three-dimensional ZnO multipods are successfully synthesized on functional substrates using the vapor transport method in a quartz tube.The functional surfaces,which include two different distributions of Ag nanoparticles and a layer of commercial Ag nanowires,are coated onto silicon substrates before the growth of ZnO nanostructures.The structures and morphologies of the ZnO/Ag heterostructures are investigated using X-ray diffraction and field emission scanning electron microscopy.The sizes and shapes of the Ag particles affect the growth rates and initial nucleations of the ZnO structures,resulting in different numbers and shapes of multipods.They also influence the orientation and growth quality of the rods.The optical properties are studied by photoluminescence,UV-vis,and Raman spectroscopy.The results indicate that the surface plasmon resonance strongly depends on the sizes and shapes of the Ag particles.

  10. Simulations of nucleation and elongation of amyloid fibrils

    OpenAIRE

    Zhang, Jianing; Muthukumar, M.

    2009-01-01

    We present a coarse-grained model for the growth kinetics of amyloid fibrils from solutions of peptides and address the fundamental mechanism of nucleation and elongation by using a lattice Monte Carlo procedure. We reproduce the three main characteristics of nucleation of amyloid fibrils: (1) existence of lag time, (2) occurrence of a critical concentration, and (3) seeding. We find the nucleation of amyloid fibrils to require a quasi-two-dimensional configuration, where a second layer of β ...

  11. Atmospheric nucleation: highlights of the EUCAARI project and future directions

    OpenAIRE

    Kerminen, V.-M.; T. Petäjä; Manninen, H. E.; Paasonen, P.; Nieminen, T.; Sipilä, M.; Junninen, H.; M. Ehn; Gagné, S.; Laakso, L.; Riipinen, I; Vehkamäki, H.; Kurten, T.; Ortega, I.K.; Dal Maso, M.

    2010-01-01

    Within the project EUCAARI (European Integrated project on Aerosol Cloud Climate and Air Quality interactions), atmospheric nucleation was studied by (i) developing and testing new air ion and cluster spectrometers, (ii) conducting homogeneous nucleation experiments for sulphate and organic systems in the laboratory, (iii) investigating atmospheric nucleation mechanism under field conditions, and (iv) applying new theoretical and modelling tools for data interpretation and development of para...

  12. Comment on "Simple improvements to classical bubble nucleation models"

    Science.gov (United States)

    Schmelzer, Jürn W. P.; Baidakov, Vladimir G.

    2016-08-01

    A critical analysis of several statements concerning experimental studies, molecular dynamics simulations, and the theoretical interpretation of bubble nucleation processes is performed. In particular, it is shown that the Tolman equation does not supply us, in general, with a satisfactory theoretically founded description of the curvature dependence of the surface tension and the dependence of the steady-state nucleation rate of bubbles and droplets on supersaturation in the framework of classical nucleation theory.

  13. NUCLEATION RATE OF DIAMOND FILMS ON WC-Co ALLOYS

    OpenAIRE

    SHA LIU

    2005-01-01

    Diamond-coated hard alloys are prospective tool materials for extreme cutting conditions. Nucleation rate is one of important factors that affect the qualities of diamond thin films on WC-Co alloys. However, theoretical reports on nucleation rate of diamond films on WC-Co alloys are scarce. Combining the unique diamond strong orientation with substrate surface properties, an improved theoretical formula on nucleation rate of diamond films on the WC-Co alloys is deduced in this paper. First, t...

  14. Homogeneous TIP4P/2005 ice nucleation at low supercooling

    CERN Document Server

    Reinhardt, Aleks

    2013-01-01

    We present a partial free energy profile for the homogeneous nucleation of ice using an all-atom model of water at low supercooling, at which ice growth dynamics are reasonably accessible to simulation. We demonstrate that the free energy profile is well described by classical nucleation theory, and that the nucleation barrier is entropic in origin. We also estimate to first order the temperature dependence of the interfacial free energy.

  15. Comment on evidence for surface-initiated homogenous nucleation

    Directory of Open Access Journals (Sweden)

    J. E. Kay

    2003-01-01

    Full Text Available We investigate theoretical, laboratory, and atmospheric evidence for a recently proposed hypothesis: homogenous ice nucleation occurs at the surface, not in the volume, of supercooled water drops. Using existing thermodynamic arguments, laboratory experiments, and atmospheric data, we conclude that ice embryo formation at the surface cannot be confirmed or disregarded. Ice nucleation rates measured as a function of drop size in an air ambient could help distinguish between volume and surface nucleation rates.

  16. Three separate classes of bacterial ice nucleation structures.

    OpenAIRE

    Turner, M.A.; Arellano, F; Kozloff, L. M.

    1990-01-01

    Studies of the properties of the ice nucleation structure exposed on the surfaces of various bacteria such as Pseudomonas syringae, Erwinia herbicola, or various strains of Ice+ recombinant Escherichia coli have shown that there are clearly three major related but chemically distinct types of structures on these cells. First, the ability of Ice+ cells to nucleate super-cooled D2O has been examined, and it has been found that this ability (relative to the ability of the same cells to nucleate ...

  17. Nucleation of ferrite in austenite: the role of crystallography

    OpenAIRE

    Landheer, H.

    2010-01-01

    The nucleation mechanisms during solid-state phase transformations in polycrystalline materials are still not completely understood. The nucleation stage has a strong influence on the overall evolution of phase transformations, which determines the final microstructure and thereby the properties of the material. The understanding of grain nucleation is important for controlling the production process, the design of new steel grades with optimal mechanical properties, and the production of tai...

  18. Mediating conducting polymer growth within hydrogels by controlling nucleation

    OpenAIRE

    A. J. Patton; Green, R A; L. A. Poole-Warren

    2015-01-01

    This study examines the efficacy of primary and secondary nucleation for electrochemical polymerisation of conductive polymers within poly(vinyl alcohol) methacrylate hydrogels. The two methods of nucleation investigated were a primary heterogeneous mechanism via introduction of conductive bulk metallic glass (Mg64Zn30Ca5Na1) particles and a secondary mechanism via introduction of “pre-polymerised” conducting polymer within the hydrogel (PEDOT:PSS). Evidence of nucleation was not seen in the ...

  19. Determination of the critical nucleation frequency in undercooled metal melt

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    By studying the effect of thermodynamic and kinetic factors on the nucleation frequency of under cooled metals, the expressions for heterogeneous and homogenous critical nucleation frequencies have been established. The results show that the homogenous critical nucleation frequency per unit volume is directly proportional to the ratio of the cooling rate to the volume of liquid metal. As the value of the equilibrium contact angle function f(θ) of the most effective catalyst is constant, the heterogeneous critical nucleation frequency per unit area of the catalyst surface is di rectly proportional to the ratio of the cooling rate to the sum of the surface area of the most effective catalyst surface ( Rc/ VSv). When Rc/VSv is constant, the heterogeneous critical nucleation frequency per unit area of the catalyst surface is inversely proportional to f(θ)0.53; the critical nucleation frequency per unit continuous mass of the metal melt for both the homogenous and heterogeneous nucleation can be expressed in terms of a general formula. The critical nucleation fre quency is slightly influenced by the nature of the metal. The obtained theoretical result agrees well with the homogenous critical nucleation frequency estimated by Turnbull.

  20. Theoretical analysis of bubble nucleation in GASAR materials

    Institute of Scientific and Technical Information of China (English)

    刘源; 李言祥

    2003-01-01

    Nucleation of gaseous hydrogen bubbles is the initial stage of GASAR process. Through the theoretical analysis, it has been identified that heterogeneous nucleation of bubbles as caps on the solid surfaces of impurities is impossible and only the heterogeneous nucleation in pits and cracks in impurities is the most feasible way in the GASAR process. The results also show that the probability of bubble nucleation progressively decreases from Al, Cu and Ni to Fe molten metal, which is the result of the increasing adhesion work of liquid metal on alumina.

  1. Ice Nucleation Activity in Fusarium acuminatum and Fusarium avenaceum†

    OpenAIRE

    Pouleur, Stéphan; Richard, Claude; Martin, Jean-Guy; Hani ANTOUN

    1992-01-01

    Twenty fungal genera, including 14 Fusarium species, were examined for ice nucleation activity at −5.0°C, and this activity was found only in Fusarium acuminatum and Fusarium avenaceum. This characteristic is unique to these two species. Ice nucleation activity of F. avenaceum was compared with ice nucleation activity of a Pseudomonas sp. strain. Cumulative nucleus spectra are similar for both microorganisms, while the maximum temperatures of ice nucleation were −2.5°C for F. avenaceum and −1...

  2. Thermodynamics of ice nucleation in liquid water.

    Science.gov (United States)

    Wang, Xin; Wang, Shui; Xu, Qinzhi; Mi, Jianguo

    2015-01-29

    We present a density functional theory approach to investigate the thermodynamics of ice nucleation in supercooled water. Within the theoretical framework, the free-energy functional is constructed by the direct correlation function of oxygen-oxygen of the equilibrium water, and the function is derived from the reference interaction site model in consideration of the interactions of hydrogen-hydrogen, hydrogen-oxygen, and oxygen-oxygen. The equilibrium properties, including vapor-liquid and liquid-solid phase equilibria, local structure of hexagonal ice crystal, and interfacial structure and tension of water-ice are calculated in advance to examine the basis for the theory. The predicted phase equilibria and the water-ice surface tension are in good agreement with the experimental data. In particular, the critical nucleus radius and free-energy barrier during ice nucleation are predicted. The critical radius is similar to the simulation value, suggesting that the current theoretical approach is suitable in describing the thermodynamic properties of ice crystallization.

  3. Earthquake nucleation in weak subducted carbonates

    Science.gov (United States)

    Kurzawski, Robert M.; Stipp, Michael; Niemeijer, André R.; Spiers, Christopher J.; Behrmann, Jan H.

    2016-09-01

    Ocean-floor carbonate- and clay-rich sediments form major inputs to subduction zones, especially at low-latitude convergent plate margins. Therefore, knowledge of their frictional behaviour is fundamental for understanding plate-boundary earthquakes. Here we report results of mechanical tests performed on simulated fault gouges prepared from ocean-floor carbonates and clays, cored during IODP drilling offshore Costa Rica. Clay-rich gouges show internal friction coefficients (that is, the slope of linearized shear stress versus normal stress data) of μint = 0.44 - 0.56, irrespective of temperature and pore-fluid pressure (Pf). By contrast, μint for the carbonate gouge strongly depends on temperature and pore-fluid pressure, with μint decreasing dramatically from 0.84 at room temperature and Pf = 20 MPa to 0.27 at T = 140 °C and Pf = 120 MPa. This effect provides a fundamental mechanism of shear localization and earthquake generation in subduction zones, and makes carbonates likely nucleation sites for plate-boundary earthquakes. Our results imply that rupture nucleation is prompted by a combination of temperature-controlled frictional instability and temperature- and pore-pressure-dependent weakening of calcareous fault gouges.

  4. Direct laser planting of hybrid Au-Ag/C nanostructures - nanoparticles, flakes and flowers

    CERN Document Server

    Manshina, Alina; Bashouti, Muhammad; Povolotskiy, Alexey; Petrov, Yuriy; Koshevoy, Igor; Christiansen, Silke; Tunik, Sergey; Leuchs, Gerd

    2015-01-01

    We demonstrate a new approach for forming hybrid metal/carbonaceous nanostructures in a controlled direct laser planting process. Au-Ag nanoclusters in amorphous or crystalline carbonaceous matrices are formed with different morphology: nanoparticles, nanoflakes, and nanoflowers. In contrast to other generation techniques our approach is simple, involving only a single laser-induced process transforming supramolecular complexes dissolved in solvent such as acetone, acetophenone, or dichloroethane into hybrid nanostructures in the laser-affected area of the substrate. The morphology of the hybrid nanostructures can be steered by controlling the deposition parameters, the composition of the liquid phase and the type of substrate, amorphous or crystalline. The carbonaceous phase of the hybrid nanostructures consists of hydrogenated amorphous carbon in the case of nanoparticles and of crystalline orthorhombic graphite of nanoscale thickness in the case of flakes and flowers. To the best of our knowledge this is t...

  5. Synthesis and sensing integration: A novel enzymatic reaction modulated Nanoclusters Beacon (NCB) "Illumination" strategy for label-free biosensing and logic gate operation.

    Science.gov (United States)

    Hong, Lu; Zhou, Fu; Wang, Guangfeng; Zhang, Xiaojun

    2016-12-15

    A novel fluorescent label-free "turn-on" NAD(+) and adenosine triphosphate (ATP) biosensing strategy is proposed by fully exploiting ligation triggered Nanocluster Beacon (NCB). In the presence of the target, the split NCB was brought to intact, which brought the C-rich sequence and enhancer sequence in close proximity resulting in the lightening of dark DNA/AgNCs ("On" mode). Further application was presented for logic gate operation and aptasensor construction. The feasibility was investigated by Ultraviolet-visible spectroscopy (UV-vis), Fluorescence, lifetime and High Resolution Transmission Electron Microscopy (HRTEM) etc. The strategy displayed good performance in the detection of NAD(+) and ATP, with the detection limit of 0.002nM and 0.001mM, the linear range of 10-1000nM and 0.003-0.01mM, respectively. Due to the DNA/AgNCs as fluorescence reporter, the completely label-free fluorescent strategy boasts the features of simplicity and low cost, and showing little reliance on the sensing environment. Meanwhile, the regulation by overhang G-rich sequence not relying on Förster energy transfer quenching manifests the high signal-to-background ratios (S/B ratios). This method not only provided a simple, economical and reliable fluorescent NAD(+) assay but also explored a flexible G-rich sequence regulated NCB probe for the fluorescent biosensors. Furthermore, this sensing mode was expanded to the application of a logic gate design, which exhibited a high performance for not only versatile biosensors construction but also for molecular computing application.

  6. Synthesis and sensing integration: A novel enzymatic reaction modulated Nanoclusters Beacon (NCB) "Illumination" strategy for label-free biosensing and logic gate operation.

    Science.gov (United States)

    Hong, Lu; Zhou, Fu; Wang, Guangfeng; Zhang, Xiaojun

    2016-12-15

    A novel fluorescent label-free "turn-on" NAD(+) and adenosine triphosphate (ATP) biosensing strategy is proposed by fully exploiting ligation triggered Nanocluster Beacon (NCB). In the presence of the target, the split NCB was brought to intact, which brought the C-rich sequence and enhancer sequence in close proximity resulting in the lightening of dark DNA/AgNCs ("On" mode). Further application was presented for logic gate operation and aptasensor construction. The feasibility was investigated by Ultraviolet-visible spectroscopy (UV-vis), Fluorescence, lifetime and High Resolution Transmission Electron Microscopy (HRTEM) etc. The strategy displayed good performance in the detection of NAD(+) and ATP, with the detection limit of 0.002nM and 0.001mM, the linear range of 10-1000nM and 0.003-0.01mM, respectively. Due to the DNA/AgNCs as fluorescence reporter, the completely label-free fluorescent strategy boasts the features of simplicity and low cost, and showing little reliance on the sensing environment. Meanwhile, the regulation by overhang G-rich sequence not relying on Förster energy transfer quenching manifests the high signal-to-background ratios (S/B ratios). This method not only provided a simple, economical and reliable fluorescent NAD(+) assay but also explored a flexible G-rich sequence regulated NCB probe for the fluorescent biosensors. Furthermore, this sensing mode was expanded to the application of a logic gate design, which exhibited a high performance for not only versatile biosensors construction but also for molecular computing application. PMID:27453987

  7. Silver nanocluster/silica composite coatings obtained by sputtering for antibacterial applications

    Science.gov (United States)

    Ferraris, M.; Balagna, C.; Perero, S.; Miola, M.; Ferraris, S.; Baino, F.; Battiato, A.; Manfredotti, C.; Vittone, E.; Vernè, E.

    2012-09-01

    Silver nanocluster silica composite coatings were deposited by radio frequency co-sputtering technique on several substrates. This versatile method allows tailoring of silver content and antibacterial behaviour of coatings deposited on glasses, ceramics, metals and polymers for several applications. Coating morphology and composition as well as nanocluster size were analyzed by means of UV-Visible absorption, X-ray diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM), electron dispersive spectroscopy (EDS), X-ray Photoelectron Spectroscopy (XPS) and Atomic Force Microscopy (AFM). The antibacterial effect was verified through the inhibition halo test against standard bacterial strain, Staphylococcus aureus, before and after sterilization process. Tape test demonstrated a good adhesion of the coatings to the substrates.

  8. Nanocluster ionization energies and work function of aluminum, and their temperature dependence

    Energy Technology Data Exchange (ETDEWEB)

    Halder, Avik; Kresin, Vitaly V. [Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90089-0484 (United States)

    2015-10-28

    Ionization threshold energies of Al{sub n} (n = 32-95) nanoclusters are determined by laser ionization of free neutral metal clusters thermalized to several temperatures in the range from 65 K to 230 K. The photoion yield curves of cold clusters follow a quadratic energy dependence above threshold, in agreement with the Fowler law of surface photoemission. Accurate data collection and analysis procedures make it possible to resolve very small (few parts in a thousand) temperature-induced shifts in the ionization energies. Extrapolation of the data to the bulk limit enables a determination of the thermal shift of the polycrystalline metal work function, found to be in excellent agreement with theoretical prediction based on the influence of thermal expansion. Small clusters display somewhat larger thermal shifts, reflecting their greater susceptibility to thermal expansion. Ionization studies of free size-resolved nanoclusters facilitate understanding of the interplay of surface, electronic, and lattice properties under contamination-free conditions.

  9. Silver nanocluster/silica composite coatings obtained by sputtering for antibacterial applications

    International Nuclear Information System (INIS)

    Silver nanocluster silica composite coatings were deposited by radio frequency co-sputtering technique on several substrates. This versatile method allows tailoring of silver content and antibacterial behaviour of coatings deposited on glasses, ceramics, metals and polymers for several applications. Coating morphology and composition as well as nanocluster size were analyzed by means of UV-Visible absorption, X-ray diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM), electron dispersive spectroscopy (EDS), X-ray Photoelectron Spectroscopy (XPS) and Atomic Force Microscopy (AFM). The antibacterial effect was verified through the inhibition halo test against standard bacterial strain, Staphylococcus aureus, before and after sterilization process. Tape test demonstrated a good adhesion of the coatings to the substrates.

  10. Synthesis, characterization, and growth simulations of Cu–Pt bimetallic nanoclusters

    Directory of Open Access Journals (Sweden)

    Subarna Khanal

    2014-08-01

    Full Text Available Highly monodispersed Cu–Pt bimetallic nanoclusters were synthesized by a facile synthesis approach. Analysis of transmission electron microscopy (TEM and spherical aberration (Cs-corrected scanning transmission electron microscopy (STEM images shows that the average diameter of the Cu–Pt nanoclusters is 3.0 ± 1.0 nm. The high angle annular dark field (HAADF-STEM images, intensity profiles, and energy dispersive X-ray spectroscopy (EDX line scans, allowed us to study the distribution of Cu and Pt with atomistic resolution, finding that Pt is embedded randomly in the Cu lattice. A novel simulation method is applied to study the growth mechanism, which shows the formation of alloy structures in good agreement with the experimental evidence. The findings give insight into the formation mechanism of the nanosized Cu–Pt bimetallic catalysts.

  11. Nanocluster ionization energies and work function of aluminum, and their temperature dependence

    International Nuclear Information System (INIS)

    Ionization threshold energies of Aln (n = 32-95) nanoclusters are determined by laser ionization of free neutral metal clusters thermalized to several temperatures in the range from 65 K to 230 K. The photoion yield curves of cold clusters follow a quadratic energy dependence above threshold, in agreement with the Fowler law of surface photoemission. Accurate data collection and analysis procedures make it possible to resolve very small (few parts in a thousand) temperature-induced shifts in the ionization energies. Extrapolation of the data to the bulk limit enables a determination of the thermal shift of the polycrystalline metal work function, found to be in excellent agreement with theoretical prediction based on the influence of thermal expansion. Small clusters display somewhat larger thermal shifts, reflecting their greater susceptibility to thermal expansion. Ionization studies of free size-resolved nanoclusters facilitate understanding of the interplay of surface, electronic, and lattice properties under contamination-free conditions

  12. Nanocluster ionization energies and work function of aluminum, and their temperature dependence

    CERN Document Server

    Halder, Avik

    2015-01-01

    Ionization threshold energies of Al$_n$ (n=32-95) nanoclusters are determined by laser ionization of free neutral metal clusters thermalized to several temperatures in the range from 65 K to 230 K. The photoion yield curves of cold clusters follow a quadratic energy dependence above threshold, in agreement with the Fowler law of surface photoemission. Accurate data collection and analysis procedures make it possible to resolve very small (few parts in a thousand) temperature-induced shifts in the ionization energies. Extrapolation of the data to the bulk limit enables a determination of the thermal shift of the polycrystalline metal work function, found to be in excellent agreement with theoretical prediction based on the influence of thermal expansion. Small clusters display somewhat larger thermal shifts, reflecting their greater susceptibility to thermal expansion. Ionization studies of free size-resolved nanoclusters facilitate understanding of the interplay of surface, electronic, and lattice properties ...

  13. Absorption Spectra of CuGaSe 2 and CuInSe 2 Semiconducting Nanoclusters

    KAUST Repository

    Mokkath, Junais Habeeb

    2015-10-01

    The structural and optical properties of the chalcopyrite CunGanSe2n and CunInnSe2n nanoclusters (n = 2, 4, 6, and 8) are investigated as a function of the size using a combination of basin-hopping global optimization and time-dependent density functional theory. Although the lowest energy structures are found to show almost random geometries, the band gaps and absorption spectra still are subject to systematic blue shifts for decreasing cluster size in the case of CunGanSe2n, indicating strong electron confinement. The applicability of the nanoclusters in photovoltaics is discussed. © 2015 American Chemical Society.

  14. Interface-controlled thermal transport properties in nano-clustered phase change materials

    Science.gov (United States)

    Lee, Dongbok; Kang, Stephen Dongmin; Kim, Hyun-Mi; Kang, Dae-Hwan; Lyeo, Ho-Ki; Kim, Ki-Bum

    2012-04-01

    We measured the thermal conductivity of nano-clustered Ge2Sb2Te5(GST)-TiOx films in situ upon annealing from room temperature to 200 °C by the time-domain thermoreflectance method. The nano-clustered structure was found to significantly reduce the thermal conductivity of the crystallized GST-TiOx films. The reduction is attributed to the thermal resistance provided by the TiOx boundaries, of which the impact is identified by estimating the apparent interfacial thermal conductance of the embedded GST/TiOx interfaces. We suggest how to deal with the electronic contribution to thermal transport for this procedure. The apparent interfacial thermal conductance of the embedded GST/TiOx interfaces was found to tune closer to the intrinsic value 30 MW/m2 K as the microstructure of the films evolved into a distinctly clustered structure.

  15. A detailed study of ice nucleation by feldspar minerals

    Science.gov (United States)

    Whale, T. F.; Murray, B. J.; Wilson, T. W.; Carpenter, M. A.; Harrison, A.; Holden, M. A.; Vergara Temprado, J.; Morris, J.; O'Sullivan, D.

    2015-12-01

    Immersion mode heterogeneous ice nucleation plays a crucial role in controlling the composition of mixed phase clouds, which contain both supercooled liquid water and ice particles. The amount of ice in mixed phase clouds can affect cloud particle size, lifetime and extent and so affects radiative properties and precipitation. Feldspar minerals are probably the most important minerals for ice nucleation in mixed phase clouds because they nucleate ice more efficiently than other components of atmospheric mineral dust (Atkinson et al. 2013). The feldspar class of minerals is complex, containing numerous chemical compositions, several crystal polymorphs and wide variations in microscopic structure. Here we present the results of a study into ice nucleation by a wide range of different feldspars. We found that, in general, alkali feldspars nucleate ice more efficiently than plagioclase feldspars. However, we also found that particular alkali feldspars nucleate ice relatively inefficiently, suggesting that chemical composition is not the only important factor that dictates the ice nucleation efficiency of feldspar minerals. Ice nucleation by feldspar is described well by the singular model and is probably site specific in nature. The alkali feldspars that do not nucleate ice efficiently possess relatively homogenous structure on the micrometre scale suggesting that the important sites for nucleation are related to surface topography. Ice nucleation active site densities for the majority of tested alkali feldspars are similar to those found by Atkinson et al (2013), meaning that the validity of global aerosol modelling conducted in that study is not affected. Additionally, we have found that ice nucleation by feldspars is strongly influenced, both positively and negatively, by the solute content of droplets. Most other nucleants we have tested are unaffected by solutes. This provides insight into the mechanism of ice nucleation by feldspars and could be of importance

  16. Three separate classes of bacterial ice nucleation structures

    Energy Technology Data Exchange (ETDEWEB)

    Turner, M.A.; Arellano, F.; Kozloff, L.M. (Univ. of California, San Francisco (USA))

    1990-05-01

    Studies of the properties of the ice nucleation structure exposed on the surfaces of various bacteria such as Pseudomonas syringae, Erwinia herbicola, or various strains of Ice+ recombinant Escherichia coli have shown that there are clearly three major related but chemically distinct types of structures on these cells. First, the ability of Ice+ cells to nucleate super-cooled D2O has been examined, and it has been found that this ability (relative to the ability of the same cells to nucleate super-cooled H2O) exhibited three characteristic nucleating patterns. The rarest structure, called class A, is found on only a small fraction of cells in a culture, nucleates H2O at temperatures above -4.4 degrees C, and is an effective nucleator of super-cooled D2O. A second class of structure, called class B, is found on a larger portion of the cells, nucleates H2O between -4.8 and -5.7 degrees C, and is a relatively poor nucleator of super-cooled D2O. The class C structure is found on almost all cells and nucleates at -7.6 degrees C or colder. These three classes of structures were also differentiated by their sensitivities to low concentrations of water-miscible organic solvents such as dioxane or dimethyl sulfoxide. Depending on the specific bacterial strain, the addition of these solvents to bacterial suspensions lowered the nucleation activity of the class A structure by 1,000-fold or more. The nucleation activities of class B structures in the same culture were highly resistant to these compounds and were lowered only by 20 to 40%.

  17. Three separate classes of bacterial ice nucleation structures

    International Nuclear Information System (INIS)

    Studies of the properties of the ice nucleation structure exposed on the surfaces of various bacteria such as Pseudomonas syringae, Erwinia herbicola, or various strains of Ice+ recombinant Escherichia coli have shown that there are clearly three major related but chemically distinct types of structures on these cells. First, the ability of Ice+ cells to nucleate super-cooled D2O has been examined, and it has been found that this ability (relative to the ability of the same cells to nucleate super-cooled H2O) exhibited three characteristic nucleating patterns. The rarest structure, called class A, is found on only a small fraction of cells in a culture, nucleates H2O at temperatures above -4.4 degrees C, and is an effective nucleator of super-cooled D2O. A second class of structure, called class B, is found on a larger portion of the cells, nucleates H2O between -4.8 and -5.7 degrees C, and is a relatively poor nucleator of super-cooled D2O. The class C structure is found on almost all cells and nucleates at -7.6 degrees C or colder. These three classes of structures were also differentiated by their sensitivities to low concentrations of water-miscible organic solvents such as dioxane or dimethyl sulfoxide. Depending on the specific bacterial strain, the addition of these solvents to bacterial suspensions lowered the nucleation activity of the class A structure by 1,000-fold or more. The nucleation activities of class B structures in the same culture were highly resistant to these compounds and were lowered only by 20 to 40%

  18. About AgEcon Search

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    <正>AgEcon Search is a free,open access repository of full - text scholarly literature in agricultural and applied economics,inclu-ding working papers,conference papers,and journal articles. AgEcon Search is

  19. Thermal properties of radiolytically synthesized PVA/Ag nanocomposites

    Directory of Open Access Journals (Sweden)

    Krklješ Aleksandra N.

    2007-01-01

    crystallization was retarded. The half time of melting is non-linearly dependent on the amount of nanofiller. In the range from 0.25 to 1 wt% Ag it slightly increases, because at a low Ag content the nanoparticles act as a heterogeneous nucleation agent during the crystallization process. For large amounts of nanofiller, the half time of melting is markedly higher than for pure PVA. At a higher Ag content, the nanoparticles act as a barrier that restricts the thermal motion of PVA molecular chains and the half time of complete melting increases. The significantly lower melting activation energy of the nanocomposites with high amount of nanofiller compared to pure PVA, calculated by the Kissinger method, indicated that nanoparticles reduced the heat barrier for the melting process. .

  20. Hydrogen-Induced Ostwald Ripening at Room Temperature in a Pd Nanocluster Film

    OpenAIRE

    Di Vece, M; Grandjean, D.P.P.; Van Bael, M.J.; Romero, C. P.; Wang, X.; Decoster, S; Vantomme, A; Lievens, P.

    2008-01-01

    The structural and morphological changes occurring in an ensemble of vapor deposited palladium nanoclusters have been studied after several hydrogenation cycles with x-ray diffraction, extended x-ray-absorption fine structure spectroscopy, Rutherford backscattering spectrometry, and STM. Initial hydrogenation increased the cluster size, a result that is attributed to hydrogen-induced Ostwald ripening. This phenomenon originates from the higher mobility of palladium atoms resulting from the lo...

  1. Light-Emitting Diodes: Phosphorescent Nanocluster Light-Emitting Diodes (Adv. Mater. 2/2016).

    Science.gov (United States)

    Kuttipillai, Padmanaban S; Zhao, Yimu; Traverse, Christopher J; Staples, Richard J; Levine, Benjamin G; Lunt, Richard R

    2016-01-13

    On page 320, R. R. Lunt and co-workers demonstrate electroluminescence from earth-abundant phosphorescent metal halide nanoclusters. These inorganic emitters, which exhibit rich photophysics combined with a high phosphorescence quantum yield, are employed in red and near-infrared light-emitting diodes, providing a new platform of phosphorescent emitters for low-cost and high-performance light-emission applications.

  2. Storage of Gold Nanoclusters in Muscle Leads to their Biphasic in Vivo Clearance

    OpenAIRE

    Zhang, Xiao-Dong; Luo, Zhentao; Chen, Jie; Wang, Hao; Song, Sha Sha; Shen, Xiu; Long, Wei; Sun, Yuan-Ming; Fan, Saijun; Zheng, Kaiyuan; Leong, David Tai; Xie, Jianping

    2014-01-01

    Ultrasmall gold nanoclusters show great potential in biomedical applications. Long term biodistribution, retention, toxicity, and pharmacokinetics profiles are prerequisites in their potential clinical applications. Here we systematically investigated the biodistribution, clearance, and toxicity of one widely used Au NC species glutathione protected Au NCs or GSH Au NCs, over a relatively long period of 90 days in mice. We observed that most of the Au NCs were cleared at 30 days post injectio...

  3. Quadrupole Excitations in hysteresis loops of magnetic NanoCluster $Fe_8$

    OpenAIRE

    Yousefi, Y.; Fakhari, H.

    2015-01-01

    Experiments show several steps in hysteresis loops of high spin nanocluster $Fe_8$. It is thought that these steps are due to thermally assisted resonant tunneling between different quanta spin states. Up to now, in calculatiing it, only dipole excitations were considered. Because of the symmetry and the power of spin operators in Hamiltonian, we think that other multipole excitation must be considered too. In this paper we consider both dipole and quadrupole excitations in Hamiltonian and th...

  4. A facile route to aqueous Ag:ZnCdS and Ag:ZnCdSeS quantum dots: Pure emission color tunable over entire visible spectrum

    International Nuclear Information System (INIS)

    Highlights: • For the first time, a highly reactive and aqueous sulfur precursor was obtained. • The obtained Ag-doped QDs exhibited high PL QY as high as 40%. • The emission color was tunable and could span entire visible spectrum. • We provided a versatile approach to other aqueous multinary chalcogenide QDs. - Abstract: Aqueous Ag:ZnCdS quantum dots (QDs) with pure, color-tunable fluorescence were prepared based on co-nucleation doping strategy by using a highly reactive S powder precursor, which was reduced by NaBH4 at high temperature of 180 °C in a closed hydrothermal autoclave. For a meaningful comparison, thiourea as a relatively low reactive precursor was employed to test the advantages of this highly reactive S powder precursor in synthetic chemistry. The influences of various experimental variables, including the Zn/Cd ratio and Ag-doping concentration, on the optical properties of Ag:ZnCdS QDs were systematically investigated. The color-tunable quarternary Ag:ZnCdSeS QDs were also successfully prepared via the variation of Se/S precursor ratio based on the similar reactivity of the Se and S powder precursors. Further, the highly efficient Ag:ZnCdS/ZnS and Ag:ZnCdSeS/ZnS core/shell QDs were constructed by the deposition of the ZnS shell around the crude Ag:ZnCdS and Ag:ZnCdSeS core QDs. The results indicated that this facile synthetic route would provide a versatile approach for preparation of other aqueous multinary metal chalcogenide QDs

  5. A facile route to aqueous Ag:ZnCdS and Ag:ZnCdSeS quantum dots: Pure emission color tunable over entire visible spectrum

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, Ruosheng, E-mail: zengrsh@gznu.edu.cn [Key Lab for Functional Materials Chemistry of Guizhou Province, School of Chemistry and Materials Science, Guizhou Normal University, Guiyang 550001 (China); Sun, Zhiguo [Key Lab for Functional Materials Chemistry of Guizhou Province, School of Chemistry and Materials Science, Guizhou Normal University, Guiyang 550001 (China); Cao, Sheng [Institute of Materials, Ningbo University of Technology, Ningbo 315016 (China); Shen, Rongan; Liu, Zuoji; Long, Jintao [Key Lab for Functional Materials Chemistry of Guizhou Province, School of Chemistry and Materials Science, Guizhou Normal University, Guiyang 550001 (China); Zheng, Jinju [Institute of Materials, Ningbo University of Technology, Ningbo 315016 (China); Shen, Yayun; Lin, Xiangnan [Key Lab for Functional Materials Chemistry of Guizhou Province, School of Chemistry and Materials Science, Guizhou Normal University, Guiyang 550001 (China)

    2015-05-25

    Highlights: • For the first time, a highly reactive and aqueous sulfur precursor was obtained. • The obtained Ag-doped QDs exhibited high PL QY as high as 40%. • The emission color was tunable and could span entire visible spectrum. • We provided a versatile approach to other aqueous multinary chalcogenide QDs. - Abstract: Aqueous Ag:ZnCdS quantum dots (QDs) with pure, color-tunable fluorescence were prepared based on co-nucleation doping strategy by using a highly reactive S powder precursor, which was reduced by NaBH{sub 4} at high temperature of 180 °C in a closed hydrothermal autoclave. For a meaningful comparison, thiourea as a relatively low reactive precursor was employed to test the advantages of this highly reactive S powder precursor in synthetic chemistry. The influences of various experimental variables, including the Zn/Cd ratio and Ag-doping concentration, on the optical properties of Ag:ZnCdS QDs were systematically investigated. The color-tunable quarternary Ag:ZnCdSeS QDs were also successfully prepared via the variation of Se/S precursor ratio based on the similar reactivity of the Se and S powder precursors. Further, the highly efficient Ag:ZnCdS/ZnS and Ag:ZnCdSeS/ZnS core/shell QDs were constructed by the deposition of the ZnS shell around the crude Ag:ZnCdS and Ag:ZnCdSeS core QDs. The results indicated that this facile synthetic route would provide a versatile approach for preparation of other aqueous multinary metal chalcogenide QDs.

  6. First-principles insights into interaction of CO, NO, and HCN with Ag{sub 8}

    Energy Technology Data Exchange (ETDEWEB)

    Torbatian, Zahra; Hashemifar, S. Javad, E-mail: hashemifar@cc.iut.ac.ir; Akbarzadeh, Hadi [Department of Physics, Isfahan University of Technology, 84156-83111 Isfahan (Iran, Islamic Republic of)

    2014-02-28

    We use static as well as time-dependent first-principles computations to study interaction of the CO, NO, and HCN molecules with the Ag{sub 8} nanocluster. The many-body based GW correction is applied for accurate description of the highest occupied (HOMO) and the lowest unoccupied (LUMO) molecular orbital levels. It is argued that the adsorption of these molecules changes the stable structure of Ag{sub 8} from Td to the more chemically active D{sub 2d} symmetry. We discuss that the CO, NO, and HCN molecules prefer to adsorb on the atom of the cluster with significant contribution to both HOMO and LUMO, for the accomplishment of the required charge transfers in the systems. The charge back donation is found to leave an excess energy of about 110 meV on the NO molecular bond, evidencing potential application of silver clusters for NO reduction. It is argued that CO and specially NO exhibit strong physical interaction with the silver cluster and hence significantly modify the electronic and optical properties of the system, while HCN makes very week physical bonds with the cluster. The optical absorption spectra of the Ag{sub 8} cluster before and after molecule adsorption are computed and a nontrivial red shift is observed in the NO and HCN adsorbed clusters.

  7. Enhanced electronic injection in organic light-emitting diodes by incorporating silver nanoclusters and cesium carbonate

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Ying-Chung; Gao, Chia-Yuan [Department of Electrical Engineering, National Sun Yat-Sen University, Kaohsiung, Taiwan (China); Chen, Kan-Lin [Department of Electronic Engineering, Fortune Institute of Technology, Kaohsiung, Taiwan (China); Sze, Po-Wen [Department of Electro-Optical Science and Engineering, Kao Yuan University, Kaohsiung, Taiwan (China); Huang, Chien-Jung, E-mail: chien@nuk.edu.tw [Department of Applied Physics, National University of Kaohsiung, Kaohsiung, Taiwan (China)

    2015-10-01

    Highlights: • The localized electric field around SNCs is enhanced. • When the cesium carbonate/silver nanoclusters/cesium carbonate electron-injection structure replaces the cesium carbonate electron-injection structure, higher electron-injection ability is obtained. • The structure for efficient electron injection is critical to characteristics of the device. - Abstract: The influence of the cesium carbonate/silver nanoclusters/cesium carbonate electron-injection structure (CSC-EIS) on the performance of organic light-emitting diodes is investigated in this study. The silver nanoclusters (SNCs) are introduced between the electron-injection layers by means of thermal evaporation. When the CSC-EIS replaces the cesium carbonate electron-injection structure, higher electron-injection ability is obtained because the electron-injection barrier between the cathode and the electron-transport layer is remarkably reduced from 1.2 to 0 eV. In addition, surface plasmon resonance effect will cause the enhanced localized electric field around the SNCs, resulting that electron-injection ability is further enhanced from the cathode to the emitting layer.

  8. Experimental setup for investigation of nanoclusters at cryogenic temperatures by electron spin resonance and optical spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Mao, S., E-mail: maoshunghost@tamu.edu; Meraki, A.; McColgan, P. T.; Khmelenko, V. V.; Lee, D. M. [Institute for Quantum Science and Engineering and Department of Physics and Astronomy, Texas A and M University, College Station, Texas 77843 (United States); Shemelin, V. [Cornell Laboratory for Accelerator-based Science and Education, Cornell University, Ithaca, New York 14853 (United States)

    2014-07-15

    We present the design and performance of an experimental setup for simultaneous electron spin resonance (ESR) and optical studies of nanoclusters with stabilized free radicals at cryogenic temperatures. A gas mixture of impurities and helium after passing through a RF discharge for dissociation of molecules is directed onto the surface of superfluid helium to form the nanoclusters of impurities. A specially designed ESR cavity operated in the TE{sub 011} mode allows optical access to the sample. The cavity is incorporated into a homemade insert which is placed inside a variable temperature insert of a Janis {sup 4}He cryostat. The temperature range for sample investigation is 1.25–300 K. A Bruker EPR 300E and Andor 500i optical spectrograph incorporated with a Newton EMCCD camera are used for ESR and optical registration, respectively. The current experimental system makes it possible to study the ESR and optical spectra of impurity-helium condensates simultaneously. The setup allows a broad range of research at low temperatures including optically detected magnetic resonance, studies of chemical processes of the active species produced by photolysis in solid matrices, and investigations of nanoclusters produced by laser ablation in superfluid helium.

  9. Prediction of Thermal Conductivity of Aluminum Nanocluster-Filled Mesoporous Silica (Al/MCM-41)

    Science.gov (United States)

    Huang, Congliang; Feng, Yanhui; Zhang, Xinxin; Li, Jing; Cui, Liu; Wang, Ge; Yang, Mu

    2013-12-01

    MCM-41 consists of a hexagonal array of long, unconnected cylindrical pores with diameters that can be tailored within the range 1.6 nm to 10 nm. As a porous silica nanomaterial, MCM-41 is a promising porous substrate for mesoporous composites with extremely high or low thermal conductivity. In this article, the structural unit of MCM-41 was established first and an equilibrium molecular dynamics simulation was performed to determine the shell thermal conductivity of MCM-41. Then, based on one-dimensional (1D) heat transfer analysis, a mathematical expression for the effective thermal conductivity (ETC) of Al nanocluster-filled mesoporous MCM-41 (Al/MCM-41) was obtained. The effects of porosity and the filling ratio of nanoclusters in the mesochannels were further investigated. As the porosity is greater than 75 %, the ETC of only-air-filling mesoporous MCM-41 in all directions tends to approach the thermal conductivity of air. It seems that Al nanoclusters have negligible effects on the ETC of the composite, except that mesochannels are almost completely filled with Al nanowires.

  10. Structure stability of TiAu4 nanocluster with water adsorption

    Science.gov (United States)

    Liu, Xiaoji; Zhu, Beien; Gao, Yi

    2016-05-01

    Transition-metal (TM) doped noble metal alloy clusters have drawn much attention due to their potential applications as nanocatalysts and nanoelectronic devices. Among these alloy clusters, a tetrahedral (Td) TiAu4 nanocluster is predicted as highly stable both theoretically and experimentally. However, in the recent years it has been revealed that the structures of the nanocatalysts can be easily modified by reaction conditions. Thus, whether the stable tetrahedral TiAu4 is still stable under reaction condition is an interesting question for its real application. In this work, we study the stability of TiAu4 nanocluster interacting with different water clusters (H2O)n (n = 1 , 2 , 4 , 12) by basin-hopping global optimization at first principle level. The results show even monomer water can open the tetrahedral cage and draw the Ti atom outside of the cluster. Furthermore, the cluster shows a high tendency to be dissolved with the increase of water molecules. The exposed Ti atom would further dissociate the water molecule, which can be used in some water-splitting reactions under water vapor conditions. Thus, the water effects on the structure of TM doped alloy nanocluster should be considered seriously in real catalytic reactions.

  11. LOW TEMPERATURE OPTICAL PROPERTIES OF AMORPHOUS OXIDE NANOCLUSTERS IN POLYMETHYL METHACRYLATE MATRIX

    Institute of Scientific and Technical Information of China (English)

    V. V. VOLKOV; WANG ZHONG-LIN; Zou BING-SUO; XIE SI-SHEN

    2000-01-01

    We studied the temperature-dependent steady-state and time-resolved fluorescence properties of very small (1-2 nm) ZnO, CdO, and PbO amorphous nanoclusters prepared in AOT reverse micelles and imbedded in polymethyl methacrylate(PMMA) films. X-ray diffraction and electron diffraction and imaging indicate that these structures are amorphous. These amorphous oxide nanoclusters demonstrate similar structural, electronic, and optical properties. Properties of steady-state fluorescence spectra indicate the unique localization of electronic states due to the amorphous structure. ZnO and CdO show double-band fluorescence structure, which is due to the spin-orbital splitting, similar to Cu2O. Time-resolved fluorescence studies of the nanoclusters in the polymer reveal two lifetime components, as found in solution. The slow component reflects relaxation processes from band-tail states while the fast component may be related to high-lying extended states. The temperature dependence of fast fluorescence component reveals the presence of exciton hopping between anharmonic wells at temperatures higher than 200K. We correlate the barrier height between two wells formed around local atoms with the inter-atomic distance and bond ionicity.

  12. Control of magnetite primary particle size in aqueous dispersions of nanoclusters for high magnetic susceptibilities.

    Science.gov (United States)

    Yoon, Ki Youl; Xue, Zheng; Fei, Yunping; Lee, Jae Ho; Cheng, Victoria; Bagaria, Hitesh G; Huh, Chun; Bryant, Steven L; Kong, Seong Deok; Ngo, Vincent W; Rahmani, Amir-Reza; Ahmadian, Mohsen; Ellison, Christopher J; Johnston, Keith P

    2016-01-15

    Aqueous dispersions of iron oxide nanoparticles with a high initial magnetic susceptibility (χi) are of interest as contrast agents in electromagnetic tomography. Nanoclusters composed of iron oxide primary particles were formed by co-precipitation of Fe(II) and Fe(III) chlorides at alkaline conditions and high temperature of 95°C. Two-step addition of citrate was used to produce large primary particles and then stabilize the nanoclusters. The size of the primary particles was tuned from 5nm to 15nm by varying the citrate/iron precursor ratio during the normal phase hydrolysis reaction, while the second iteration of citrate stabilized the nanoclusters with hydrodynamic diameters of 30-75nm. The crystallinity of the iron oxide nanoparticles was promoted by annealing at 95°C and systematically studied with Superconducting Quantum Interference Device (SQUID), Vibrating Sample Magnetometer (VSM), Transmission Electron Microscopy (TEM) and X-ray Diffraction (XRD). The dependence of χi was examined over a range of low volume fractions (0.005ferrofluids. The high χi values are favored by the high crystallinity and the large magnetic diameter of 9.3nm, indicating a relatively thin surface nonmagnetic layer where the spin orientations are disordered. PMID:26479199

  13. Crystal Structure of Barrel-Shaped Chiral Au130(p-MBT)50 Nanocluster.

    Science.gov (United States)

    Chen, Yuxiang; Zeng, Chenjie; Liu, Chong; Kirschbaum, Kristin; Gayathri, Chakicherla; Gil, Roberto R; Rosi, Nathaniel L; Jin, Rongchao

    2015-08-19

    We report the structure determination of a large gold nanocluster formulated as Au130(p-MBT)50, where p-MBT is 4-methylbenzenethiolate. The nanocluster is constructed in a four-shell manner, with 55 gold atoms assembled into a two-shell Ino decahedron. The surface is protected exclusively by -S-Au-S- staple motifs, which self-organize into five ripple-like stripes on the surface of the barrel-shaped Au105 kernel. The Au130(p-MBT)50 can be viewed as an elongated version of the Au102(SR)44. Comparison of the Au130(p-MBT)50 structure with the recently discovered icosahedral Au133(p-TBBT)52 nanocluster (where p-TBBT = 4-tert-butylbenzenethiolate) reveals an interesting phenomenon that a subtle ligand effect in the para-position of benzenethiolate can significantly affect the gold atom packing structure, i.e. from the 5-fold twinned Au55 decahedron to 20-fold twinned Au55 icosahedron. PMID:26244606

  14. Sub-surface alloying largely influences graphene nucleation and growth over transition metal substrates.

    Science.gov (United States)

    Zhang, Liying; Zhao, Xingju; Xue, Xinlian; Shi, Jinlei; Li, Chong; Ren, Xiaoyan; Niu, Chunyao; Jia, Yu; Guo, Zhengxiao; Li, Shunfang

    2015-11-11

    Sub-surface alloying (SSA) can be an effective approach to tuning surface functionalities. Focusing on Rh(111) as a typical substrate for graphene nucleation, we show strong modulation by SSA atoms of both the energetics and kinetics of graphene nucleation simulated by first-principles calculations. Counter-intuitively, when the sub-surface atoms are replaced by more active solute metal elements to the left of Rh in the periodic table, such as the early transition metals (TMs), Ru and Tc, the binding between a C atom and the substrate is weakened and two C atoms favor dimerization. Alternatively, when the alloying elements are the late TMs to the right of Rh, such as the relatively inert Pd and Ag, the repulsion between the two C atoms is enhanced. Such distinct results can be well addressed by the delicately modulated activities of the surface host atoms in the framework of the d-band theory. More specifically, we establish a very simple selection rule for optimizing the metal substrate for high quality graphene growth: the introduction of an early (late) solute TM in the SSA lowers (raises) the d-band center and the activity of the top-most host metal atoms, weakening (strengthening) the C-substrate binding, meanwhile both energetically and kinetically facilitating (hindering) the graphene nucleation, and simultaneously promoting (suppressing) the orientation disordering the graphene domains. Importantly, our preliminary theoretical results also show that such a simple rule is also proposed to be operative for graphene growth on the widely invoked Cu(111) catalytic substrate. PMID:26257125

  15. AGS experiments: 1990, 1991, 1992

    International Nuclear Information System (INIS)

    This report contains a description of the following: AGS Experimental Area - High Energy Physics FY 1993 and Heavy Ion Physics FY 1993; Table of Beam Parameters and Fluxes; Experiment Schedule ''as run''; Proposed 1993 Schedule; A listing of experiments by number; Two-page summaries of each experiment begin here, also ordered by number; Publications of AGS Experiments; and List of AGS Experimenters

  16. Aerosol nucleation induced by a high energy particle beam

    DEFF Research Database (Denmark)

    Enghoff, Martin Andreas Bødker; Pedersen, Jens Olaf Pepke; Uggerhøj, Ulrik I.;

    2011-01-01

    We have studied sulfuric acid aerosol nucleation in an atmospheric pressure reaction chamber using a 580 MeV electron beam to ionize the volume of the reaction chamber. We find a clear contribution from ion-induced nucleation and consider this to be the first unambiguous observation of the ion...

  17. Nucleation of ferrite in austenite: the role of crystallography

    NARCIS (Netherlands)

    Landheer, H.

    2010-01-01

    The nucleation mechanisms during solid-state phase transformations in polycrystalline materials are still not completely understood. The nucleation stage has a strong influence on the overall evolution of phase transformations, which determines the final microstructure and thereby the properties of

  18. Aerosol nucleation in an ultra-low ion density environment

    DEFF Research Database (Denmark)

    Pedersen, Jens Olaf Pepke; Enghoff, Martin Andreas Bødker; Paling, Sean M.;

    2012-01-01

    sulfuric acid–water clusters over a range of sulfuric acid concentrations although neutral nucleation mechanisms remain evident at low ionization levels. The effect of ions is found both to enhance the nucleation rate of stable clusters and the initial growth rate. The effects of possible contaminations...

  19. Bubble nucleation in an explosive micro-bubble actuator

    NARCIS (Netherlands)

    Broek, van den D.M.; Elwenspoek, M.C.

    2008-01-01

    Explosive evaporation occurs when a thin layer of liquid reaches a temperature close to the critical temperature in a very short time. At these temperatures spontaneous nucleation takes place. The nucleated bubbles instantly coalesce forming a vapour film followed by rapid growth due to the pressure

  20. Nucleation in the two-dimensional Ising model

    NARCIS (Netherlands)

    Brendel, Kevin

    2006-01-01

    The aim of this thesis is to study nucleation both numerically and analytically. The approach followed is to start with very simple models. In chapter 2 we study the Ising model without an external magnetic field. This system does not feature nucleation, but at low temperatures it jumps back and for

  1. Electrodeposition of dendritic Pd nanoarchitectures on n-GaN(0001): nucleation and electrocatalysis for direct formic acid fuel cells

    International Nuclear Information System (INIS)

    Dendritic Pd nanoarchitectures were electrochemically deposited on single-crystal n-GaN(0001) by cyclic voltammetry and employed as anode electrocatalyst for direct formic acid fuel cells. The Pd deposition on n-GaN(0001) was found to commence at 0.2 V vs. Ag/AgCl without underpotential deposition process and follow the typical instantaneous nucleation in large overpotential region. High-resolution transmission electron microscope images revealed that numerous small branches were formed around the trunk of dendritic structures and grew along the <111> directions. The as-obtained dendritic Pd nanoarchitectures showed good catalytic performance for formic acid and the oxidation peak potential appeared at 0.45 V vs. Ag/AgCl. The maximum current density and mass activity were 19.7 mA cm−1 and 904 mA mg−1, respectively, for the dendritic Pd nanocrystals obtained by cycling the potentials from -0.25 to 1.0 V for 5 times

  2. Trapping crystal nucleation of cholesterol monohydrate

    DEFF Research Database (Denmark)

    Solomonov, I.; Weygand, M.J.; Kjær, K.;

    2005-01-01

    Crystalline nucleation of cholesterol at the air-water interface has been studied via grazing incidence x-ray diffraction using synchrotron radiation. The various stages of cholesterol molecular assembly from monolayer to three bilayers incorporating interleaving hydrogen-bonded water layers...... in a monoclinic cholesterol . H2O phase, has been monitored and their structures characterized to near atomic resolution. Crystallographic evidence is presented that this multilayer phase is similar to that of a reported metastable cholesterol phase of undetermined structure obtained from bile before...... transformation to the triclinic phase of cholesterol . H2O, the thermodynamically stable macroscopic form. According to grazing incidence x-ray diffraction measurements and crystallographic data, a transformation from the monoclinic film structure to a multilayer of the stable monohydrate phase involves...

  3. Aggregate geometry in amyloid fibril nucleation

    CERN Document Server

    Irbäck, A; Linnemann, N; Linse, B; Wallin, S; 10.1103/PhysRevLett.110.058101

    2013-01-01

    We present and study a minimal structure-based model for the self-assembly of peptides into ordered beta-sheet-rich fibrils. The peptides are represented by unit-length sticks on a cubic lattice and interact by hydrogen bonding and hydrophobicity forces. By Monte Carlo simulations with >100,000 peptides, we show that fibril formation occurs with sigmoidal kinetics in the model. To determine the mechanism of fibril nucleation, we compute the joint distribution in length and width of the aggregates at equilibrium, using an efficient cluster move and flat-histogram techniques. This analysis, based on simulations with 256 peptides in which aggregates form and dissolve reversibly, shows that the main free-energy barriers that a nascent fibril has to overcome are associated with changes in width.

  4. Propane hydrate nucleation: Experimental investigation and correlation

    DEFF Research Database (Denmark)

    Jensen, Lars; Thomsen, Kaj; von Solms, Nicolas

    2008-01-01

    In this work the nucleation kinetics of propane gas hydrate has been investigated experimentally using a stirred batch reactor. The experiments have been performed isothermally recording the pressure as a function of time. Experiments were conducted at different stirring rates, but in the same...... supersaturation region. The experiments showed that the gas dissolution rate rather than the induction time of propane hydrate is influenced by a change in agitation. This was especially valid at high stirring rates when the water surface was severely disturbed.Addition of polyvinylpyrrolidone (PVP...... the presence of additives. In most cases reasonable agreement between the data and the model could be obtained. The results revealed that especially the effective surface energy between propane hydrate and water is likely to change when the stirring rate varies from very high to low. The prolongation...

  5. Preparation and nucleation of spherical metallic droplet

    Directory of Open Access Journals (Sweden)

    Bing-ge Zhao

    2015-03-01

    Full Text Available The preparation and solidification of metallic droplets attract more and more attention for their significance in both engineering and scientific fields. In this paper, the preparation and characterization of Sn-based alloy droplets using different methods such as atomization and consumable electrode direct current arc (CDCA technique are reviewed. The morphology and structure of these droplets were determined by optical microscopy, X-ray diffraction (XRD and scanning electron microscopy (SEM. The solidification behavior of single droplet was systematically studied by means of scanning calorimetry (DSC, and the nucleation kinetics was also calculated. In particular, the development of fast scanning calorimetry (FSC made it possible to investigate the evolution of undercooling under ultrafast but controllable heating and cooling conditions. The combination of CDCA technique and FSC measurements opens up a new door for quantitative studies on droplet solidification, which is accessible to demonstrate some theories by experiments.

  6. AGS Booster prototype magnets

    Energy Technology Data Exchange (ETDEWEB)

    Danby, G.; Jackson, J.; Lee, Y.Y.; Phillips, R.; Brodowski, J.; Jablonski, E.; Keohane, G.; McDowell, B.; Rodger, E.

    1987-03-19

    Prototype magnets have been designed and constructed for two half cells of the AGS Booster. The lattice requires 2.4m long dipoles, each curved by 10/sup 0/. The multi-use Booster injector requires several very different standard magnet cycles, capable of instantaneous interchange using computer control from dc up to 10 Hz.

  7. The efficacy of Raf kinase recruitment to the GTPase H-ras depends on H-ras membrane conformer-specific nanoclustering.

    Science.gov (United States)

    Guzmán, Camilo; Šolman, Maja; Ligabue, Alessio; Blaževitš, Olga; Andrade, Débora M; Reymond, Luc; Eggeling, Christian; Abankwa, Daniel

    2014-04-01

    Solution structures and biochemical data have provided a wealth of mechanistic insight into Ras GTPases. However, information on how much the membrane organization of these lipid-modified proteins impacts on their signaling is still scarce. Ras proteins are organized into membrane nanoclusters, which are necessary for Ras-MAPK signaling. Using quantitative conventional and super-resolution fluorescence methods, as well as mathematical modeling, we investigated nanoclustering of H-ras helix α4 and hypervariable region mutants that have different bona fide conformations on the membrane. By following the emergence of conformer-specific nanoclusters in the plasma membrane of mammalian cells, we found that conformers impart distinct nanoclustering responses depending on the cytoplasmic levels of the nanocluster scaffold galectin-1. Computational modeling revealed that complexes containing H-ras conformers and galectin-1 affect both the number and lifetime of nanoclusters and thus determine the specific Raf effector recruitment. Our results show that mutations in Ras can affect its nanoclustering response and thus allosterically effector recruitment and downstream signaling. We postulate that cancer- and developmental disease-linked mutations that are associated with the Ras membrane conformation may exhibit so far unrecognized Ras nanoclustering and therefore signaling alterations.

  8. TEM observation on nucleation of Ca a-Sialon

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Ca a-Sialon compacts pressurelessly-sintered to the intermediate temperature (1 450℃) were investigated with TEM for an overall composition Ca1.8Si6.6Al5.4O1.8N14.2. It was found that in most cases, the newly-formed a-Sialon grains had no epitaxial orientation relationship with the Si3N4 particles; only occasionally heteroepitaxial nucleation of a-Sialon on a-Si3N4 was detected. Further EDAX analysis revealed a much higher Ca concentration in the non-epi- taxially nucleated a-Sialon than in the heteroepitaxially nucleated a-Sialon. Thus a possible correlation between the concentration of metal cations in the a-Sialon structure and the nucleation mechanism has been proposed, i.e. a-Sialon compositions with higher Ca concentration show a stronger trend of non-epitaxial nucleation.

  9. Pseudo-one-dimensional nucleation in dilute polymer solutions

    Science.gov (United States)

    Zhang, Lingyun; Schmit, Jeremy D.

    2016-06-01

    Pathogenic protein fibrils have been shown in vitro to have nucleation-dependent kinetics despite the fact that one-dimensional structures do not have the size-dependent surface energy responsible for the lag time in classical theory. We present a theory showing that the conformational entropy of the peptide chains creates a free-energy barrier that is analogous to the translational entropy barrier in higher dimensions. We find that the dynamics of polymer rearrangement make it very unlikely for nucleation to succeed along the lowest free-energy trajectory, meaning that most of the nucleation flux avoids the free-energy saddle point. We use these results to construct a three-dimensional model for amyloid nucleation that accounts for conformational entropy, backbone H bonds, and side-chain interactions to compute nucleation rates as a function of concentration.

  10. Prediction of the solidification structure of casting and heterogeneous nucleation

    Institute of Scientific and Technical Information of China (English)

    K. Ohsasa; H. Shirosawa; T. Narita

    2003-01-01

    The frequency of heterogeneous nucleation during the solidification of Al-Si binary alloy was estimated by comparing ex-perimentally obtained macrostructures of castings with numerically simulated ones. A molten alloy was unidirectionally solidifiedfrom a water-cooled copper chill in an adiabatic mold. The location of colunmar to equiaxed transition (CET) in the solidified alloyingot was measured. A numerical simulation for grain structure formation based on the Monte Carlo method was carried out, and thefrequency of heterogeneous nucleation in the alloy was evaluated by producing similar structure with the experimental one. The fre-quency of heterogeneous nucleation was expressed as a probabilistic function with an exponential form of undercooling that deter-mines the probability of nucleation event in the simulation. The value of the exponent is regarded as the nucleation parameter. Thenucleation parameter of Al-Si binary alloy varied with initial Sicontent.

  11. Copper Oxidation through Nucleation Sites of Chemical Vapor Deposited Graphene

    DEFF Research Database (Denmark)

    Luo, Birong; Whelan, Patrick Rebsdorf; Shivayogimath, Abhay;

    2016-01-01

    and amorphous carbon. These defects would serve as a pathway for the diffusion of 02 during thermal annealing, allowing oxidation of Cu to progress gradually from the nucleation center toward the growth edge. The oxidation process follows the graphene morphology closely; the shape of the oxidized area of Cu has......We investigate the nucleation defect-triggered oxidation of Cu covered by CVD graphene during postannealing in air. The results reveal that different growth conditions may induce imperfect nucleation of graphene, and cause creation of defects near the nucleation point such as pin holes...... a striking resemblance to that of the graphene flakes. Our work demonstrates that inferior graphene nucleation in CVD processes can compromise the oxidation resistance of a graphene-coated Cu substrate, and indirectly reveal the structure and integrity of graphene, which is of fundamental importance...

  12. Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity

    OpenAIRE

    Cox, Stephen J.; Kathmann, Shawn M.; Slater, Ben; Michaelides, Angelos

    2015-01-01

    Ice formation is one of the most common and important processes on earth and almost always occurs at the surface of a material. A basic understanding of how the physicochemical properties of a material's surface affect its ability to form ice has remained elusive. Here, we use molecular dynamics simulations to directly probe heterogeneous ice nucleation at a hexagonal surface of a nanoparticle of varying hydrophilicity. Surprisingly, we find that structurally identical surfaces can both inhib...

  13. Do protein crystals nucleate within dense liquid clusters?

    Energy Technology Data Exchange (ETDEWEB)

    Maes, Dominique, E-mail: dommaes@vub.ac.be [Vrije Universiteit Brussel, 1050 Brussels (Belgium); Vorontsova, Maria A. [University of Houston, Houston, TX 77204 (United States); Potenza, Marco A. C.; Sanvito, Tiziano [Universita di Milano, 20133 Milano (Italy); Sleutel, Mike [Vrije Universiteit Brussel, 1050 Brussels (Belgium); Giglio, Marzio [Universita di Milano, 20133 Milano (Italy); Vekilov, Peter G. [Vrije Universiteit Brussel, 1050 Brussels (Belgium); University of Houston, Houston, TX 77204 (United States); University of Houston, Houston, TX 77204 (United States)

    2015-06-27

    The evolution of protein-rich clusters and nucleating crystals were characterized by dynamic light scattering (DLS), confocal depolarized dynamic light scattering (cDDLS) and depolarized oblique illumination dark-field microscopy. Newly nucleated crystals within protein-rich clusters were detected directly. These observations indicate that the protein-rich clusters are locations for crystal nucleation. Protein-dense liquid clusters are regions of high protein concentration that have been observed in solutions of several proteins. The typical cluster size varies from several tens to several hundreds of nanometres and their volume fraction remains below 10{sup −3} of the solution. According to the two-step mechanism of nucleation, the protein-rich clusters serve as locations for and precursors to the nucleation of protein crystals. While the two-step mechanism explained several unusual features of protein crystal nucleation kinetics, a direct observation of its validity for protein crystals has been lacking. Here, two independent observations of crystal nucleation with the proteins lysozyme and glucose isomerase are discussed. Firstly, the evolutions of the protein-rich clusters and nucleating crystals were characterized simultaneously by dynamic light scattering (DLS) and confocal depolarized dynamic light scattering (cDDLS), respectively. It is demonstrated that protein crystals appear following a significant delay after cluster formation. The cDDLS correlation functions follow a Gaussian decay, indicative of nondiffusive motion. A possible explanation is that the crystals are contained inside large clusters and are driven by the elasticity of the cluster surface. Secondly, depolarized oblique illumination dark-field microscopy reveals the evolution from liquid clusters without crystals to newly nucleated crystals contained in the clusters to grown crystals freely diffusing in the solution. Collectively, the observations indicate that the protein-rich clusters in

  14. Probing methane hydrate nucleation through the forward flux sampling method.

    Science.gov (United States)

    Bi, Yuanfei; Li, Tianshu

    2014-11-26

    Understanding the nucleation of hydrate is the key to developing effective strategies for controlling methane hydrate formation. Here we present a computational study of methane hydrate nucleation, by combining the forward flux sampling (FFS) method and the coarse-grained water model mW. To facilitate the application of FFS in studying the formation of methane hydrate, we developed an effective order parameter λ on the basis of the topological analysis of the tetrahedral network. The order parameter capitalizes the signature of hydrate structure, i.e., polyhedral cages, and is capable of efficiently distinguishing hydrate from ice and liquid water while allowing the formation of different hydrate phases, i.e., sI, sII, and amorphous. Integration of the order parameter λ with FFS allows explicitly computing hydrate nucleation rates and obtaining an ensemble of nucleation trajectories under conditions where spontaneous hydrate nucleation becomes too slow to occur in direct simulation. The convergence of the obtained hydrate nucleation rate was found to depend crucially on the convergence of the spatial distribution for the spontaneously formed hydrate seeds obtained from the initial sampling of FFS. The validity of the approach is also verified by the agreement between the calculated nucleation rate and that inferred from the direct simulation. Analyzing the obtained large ensemble of hydrate nucleation trajectories, we show hydrate formation at 220 K and 500 bar is initiated by the nucleation events occurring in the vicinity of water-methane interface, and facilitated by a gradual transition from amorphous to crystalline structure. The latter provides the direct support to the proposed two-step nucleation mechanism of methane hydrate. PMID:24849698

  15. Probing Individual Ice Nucleation Events with Environmental Scanning Electron Microscopy

    Science.gov (United States)

    Wang, Bingbing; China, Swarup; Knopf, Daniel; Gilles, Mary; Laskin, Alexander

    2016-04-01

    Heterogeneous ice nucleation is one of the processes of critical relevance to a range of topics in the fundamental and the applied science and technologies. Heterogeneous ice nucleation initiated by particles proceeds where microscopic properties of particle surfaces essentially control nucleation mechanisms. Ice nucleation in the atmosphere on particles governs the formation of ice and mixed phase clouds, which in turn influence the Earth's radiative budget and climate. Heterogeneous ice nucleation is still insufficiently understood and poses significant challenges in predictive understanding of climate change. We present a novel microscopy platform allowing observation of individual ice nucleation events at temperature range of 193-273 K and relative humidity relevant for ice formation in the atmospheric clouds. The approach utilizes a home built novel ice nucleation cell interfaced with Environmental Scanning Electron Microscope (IN-ESEM system). The IN-ESEM system is applied for direct observation of individual ice formation events, determining ice nucleation mechanisms, freezing temperatures, and relative humidity onsets. Reported microanalysis of the ice nucleating particles (INP) include elemental composition detected by the energy dispersed analysis of X-rays (EDX), and advanced speciation of the organic content in particles using scanning transmission x-ray microscopy with near edge X-ray absorption fine structure spectroscopy (STXM/NEXAFS). The performance of the IN-ESEM system is validated through a set of experiments with kaolinite particles with known ice nucleation propensity. We demonstrate an application of the IN-ESEM system to identify and characterize individual INP within a complex mixture of ambient particles.

  16. Airborne measurements of nucleation mode particles I: coastal nucleation and growth rates

    Directory of Open Access Journals (Sweden)

    C. D. O'Dowd

    2007-01-01

    Full Text Available A light aircraft was equipped with a bank of Condensation Particle Counters (CPCs (50% cut from 3–5.4–9.6 nm and a nano-Scanning Mobility Particle Sizer (nSMPS and deployed along the west coast of Ireland, in the vicinity of Mace Head. The objective of the exercise was to provide high resolution micro-physical measurements of the coastal nucleation mode in order to map the spatial extent of new particle production regions and to evaluate the evolution, and associated growth rates of the coastal nucleation-mode aerosol plume. Results indicate that coastal new particle production is occurring over most areas along the land-sea interface with peak concentrations at the coastal plume-head in excess of 106 cm−3. Pseudo-Lagrangian studies of the coastal plume evolution illustrated significant growth of new particles to sizes in excess of 8 nm approximately 10 km downwind of the source region. Close to the plume head (<1 km growth rates can be as high as 123–171 nm h−1, decreasing gradually to 53–72 nm h−1 at 3 km. Further along the plume, at distances up to 10 km, the growth rates are calculated to be 17–32 nm h−1. Growth rates of this magnitude suggest that after a couple of hours, coastal nucleation mode particles can reach significant sizes where they can contribution to the regional aerosol loading.

  17. Low-dose patterning of platinum nanoclusters on carbon nanotubes by focused-electron-beam-induced deposition as studied by TEM

    Directory of Open Access Journals (Sweden)

    Xiaoxing Ke

    2013-02-01

    Full Text Available Focused-electron-beam-induced deposition (FEBID is used as a direct-write approach to decorate ultrasmall Pt nanoclusters on carbon nanotubes at selected sites in a straightforward maskless manner. The as-deposited nanostructures are studied by transmission electron microscopy (TEM in 2D and 3D, demonstrating that the Pt nanoclusters are well-dispersed, covering the selected areas of the CNT surface completely. The ability of FEBID to graft nanoclusters on multiple sides, through an electron-transparent target within one step, is unique as a physical deposition method. Using high-resolution TEM we have shown that the CNT structure can be well preserved thanks to the low dose used in FEBID. By tuning the electron-beam parameters, the density and distribution of the nanoclusters can be controlled. The purity of as-deposited nanoclusters can be improved by low-energy electron irradiation at room temperature.

  18. AGS experiments - 1995, 1996 and 1997

    International Nuclear Information System (INIS)

    This report contains (1) FY 1995 AGS schedule as run; (2) FY 1996 AGS schedule as run; (3) FY 1997 AGS schedule as run; (4) FY 1998--1999 AGS schedule (proposed); (5) AGS beams 1997; (6) AGS experimental area FY 1995 physics program; (7) AGS experimental area FY 1996 physics program; (8) AGS experimental area FY 1997 physics program; (9) AGS experimental area FY 1998--1999 physics program (proposed); (10) a listing of experiments by number; (11) two-page summaries of each experiment, in order by number; and (12) listing of publications of AGS experiments

  19. AGS experiments -- 1995, 1996 and 1997

    Energy Technology Data Exchange (ETDEWEB)

    Depken, J.C.; Presti, P.L.

    1997-12-01

    This report contains (1) FY 1995 AGS schedule as run; (2) FY 1996 AGS schedule as run; (3) FY 1997 AGS schedule as run; (4) FY 1998--1999 AGS schedule (proposed); (5) AGS beams 1997; (6) AGS experimental area FY 1995 physics program; (7) AGS experimental area FY 1996 physics program; (8) AGS experimental area FY 1997 physics program; (9) AGS experimental area FY 1998--1999 physics program (proposed); (10) a listing of experiments by number; (11) two-page summaries of each experiment, in order by number; and (12) listing of publications of AGS experiments.

  20. AGS experiments -- 1991, 1992, 1993. Tenth edition

    Energy Technology Data Exchange (ETDEWEB)

    Depken, J.C.

    1994-04-01

    This report contains: (1) FY 1993 AGS schedule as run; (2) FY 1994--95 AGS schedule; (3) AGS experiments {ge} FY 1993 (as of 30 March 1994); (4) AGS beams 1993; (5) AGS experimental area FY 1991 physics program; (6) AGS experimental area FY 1992 physics program; (7) AGS experimental area FY 1993 physics program; (8) AGS experimental area FY 1994 physics program (planned); (9) a listing of experiments by number; (10) two-page summaries of each experiment; (11) listing of publications of AGS experiments; and (12) listing of AGS experiments.

  1. In situ studies on controlling an atomically-accurate formation process of gold nanoclusters

    Science.gov (United States)

    Yang, Lina; Cheng, Hao; Jiang, Yong; Huang, Ting; Bao, Jie; Sun, Zhihu; Jiang, Zheng; Ma, Jingyuan; Sun, Fanfei; Liu, Qinghua; Yao, Tao; Deng, Huijuan; Wang, Shuxin; Zhu, Manzhou; Wei, Shiqiang

    2015-08-01

    Knowledge of the molecular formation mechanism of metal nanoclusters is essential for developing chemistry for accurate control over their synthesis. Herein, the ``top-down'' synthetic process of monodisperse Au13 nanoclusters via HCl etching of polydisperse Aun clusters (15 absorption spectroscopy and time-dependent mass spectrometry. It is revealed experimentally that the HCl-induced synthesis of Au13 is achieved by accurately controlling the etching process with two distinctive steps, in sharp contrast to the traditional thiol-etching mechanism through release of the Au(i) complex. The first step involves the direct fragmentation of the initial larger Aun clusters into metastable intermediate Au8-Au13 smaller clusters. This is a critical step, which allows for the secondary size-growth step of the intermediates toward the atomically monodisperse Au13 clusters via incorporating the reactive Au(i)-Cl species in the solution. Such a secondary-growth pathway is further confirmed by the successful growth of Au13 through reaction of isolated Au11 clusters with AuClPPh3 in the HCl environment. This work addresses the importance of reaction intermediates in guiding the way towards controllable synthesis of metal nanoclusters.Knowledge of the molecular formation mechanism of metal nanoclusters is essential for developing chemistry for accurate control over their synthesis. Herein, the ``top-down'' synthetic process of monodisperse Au13 nanoclusters via HCl etching of polydisperse Aun clusters (15 absorption spectroscopy and time-dependent mass spectrometry. It is revealed experimentally that the HCl-induced synthesis of Au13 is achieved by accurately controlling the etching process with two distinctive steps, in sharp contrast to the traditional thiol-etching mechanism through release of the Au(i) complex. The first step involves the direct fragmentation of the initial larger Aun clusters into metastable intermediate Au8-Au13 smaller clusters. This is a critical step

  2. Heterogeneous nucleation of protein crystals on fluorinated layered silicate.

    Directory of Open Access Journals (Sweden)

    Keita Ino

    Full Text Available Here, we describe an improved system for protein crystallization based on heterogeneous nucleation using fluorinated layered silicate. In addition, we also investigated the mechanism of nucleation on the silicate surface. Crystallization of lysozyme using silicates with different chemical compositions indicated that fluorosilicates promoted nucleation whereas the silicates without fluorine did not. The use of synthesized saponites for lysozyme crystallization confirmed that the substitution of hydroxyl groups contained in the lamellae structure for fluorine atoms is responsible for the nucleation-inducing property of the nucleant. Crystallization of twelve proteins with a wide range of pI values revealed that the nucleation promoting effect of the saponites tended to increase with increased substitution rate. Furthermore, the saponite with the highest fluorine content promoted nucleation in all the test proteins regardless of their overall net charge. Adsorption experiments of proteins on the saponites confirmed that the density of adsorbed molecules increased according to the substitution rate, thereby explaining the heterogeneous nucleation on the silicate surface.

  3. Investigation of the Heterogeneous Nucleation on Fractal Surfaces

    Institute of Scientific and Technical Information of China (English)

    Meng Wang; Ying Zhang; Haoyong Zheng; Xin Lin; Weidong Huang

    2012-01-01

    Classical theory of heterogeneous nucleation has been developed with an implied hypothesis of smooth substrate surfaces; however, morphologies of any real substrate surfaces are generally complicated and demonstrate fractal characteristics. In this paper, the wettability between the embryo and the fractal substrate surface was discussed, and heterogeneous nucleation behaviors were theoretically analyzed. The result shows that the roughness factor of a fractal surface varies with the scale of the embryo. As a result, the fractal character of the substrate surface has important effects on heterogeneous nucleation behaviors. It has been shown that the energy barrier for heterogeneous nucleation of a non-wetting phase on a fractal rough surface increases with increasing fractal dimensions, and both the critical nucleus radius and the nucleation energy barrier decrease with increasing fractal dimensions for heterogeneous nucleation of a wetting phase on the fractal rough surface. For a non-wetting system, the critical nucleus radius shows a slight shift with changes of the intrinsic wetting angle, but for a wetting system, the critical nucleus radius shows an obvious change with decreasing intrinsic wetting angle, thus imposes a stronger effect on the heterogeneous nucleation behaviors.

  4. Influence of Grain Boundary Properties and Orientation on Void Nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Fensin, Saryu Jindal [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Center for Integrated Nanotechnologies (CINT)

    2016-03-01

    For ductile metals, dynamic fracture during shock loading is thought to occur through void nucleation, growth, and then coalescence that leads to material failure. Particularly for high purity metals, it has been observed by numerous investigators that, under incipient spall conditions, voids appear to heterogeneously nucleate at some grain boundaries, but not others. Several factors can affect the void nucleation stress at a grain boundary, such as grain boundary structure, orientation with respect to the loading direction, energy and excess volume, in addition to its interactions with dislocations. In this work, we focus on the influence of loading direction with respect to the grain boundary plane and grain boundary properties such as energy and excess volume on the stress required for void nucleation of a grain boundary, in copper from moleculardynamics simulations. Flyer plate simulations were carried out for four boundary types with different energies and excess volumes. These boundaries were chosen as model systems to represent various boundaries observed in “real” materials. Simulations indicate that there is no direct correlation between the void nucleation stress at a boundary and either its energy and excess volume. This result suggests that average properties of grain boundaries alone are not sufficient indicators of the spall strength of a boundary and perhaps local boundary properties need to be taken into account in order to predict its susceptibility to void nucleation for broad ranges of materials. We also present both experimental and simulation results corresponding to the affect of orientation on void nucleation.

  5. Bubble nucleation in polymer–CO2 mixtures.

    Science.gov (United States)

    Xu, Xiaofei; Cristancho, Diego E; Costeux, Stéphane; Wang, Zhen-Gang

    2013-10-28

    We combine density-functional theory with the string method to calculate the minimum free energy path of bubble nucleation in two polymer–CO2 mixture systems, poly(methyl methacrylate) (PMMA)–CO2 and polystyrene (PS)–CO2. Nucleation is initiated by saturating the polymer liquid with high pressure CO2 and subsequently reducing the pressure to ambient condition. Below a critical temperature (Tc), we find that there is a discontinuous drop in the nucleation barrier as a function of increased initial CO2 pressure (P0), as a result of an underlying metastable transition from a CO2-rich-vapor phase to a CO2-rich-liquid phase. The nucleation barrier is generally higher for PS–CO2 than for PMMA–CO2 under the same temperature and pressure conditions, and both higher temperature and higher initial pressure are required to lower the nucleation barrier for PS–CO2 to experimentally relevant ranges. Classical nucleation theory completely fails to capture the structural features of the bubble nucleus and severely underestimates the nucleation barrier.

  6. Non-LTE dust nucleation in sub-saturated vapors

    CERN Document Server

    Lazzati, Davide

    2007-01-01

    We use the kinetic theory of nucleation to explore the properties of dust nucleation in sub-saturated vapors. Due to radiation losses, the sub-critical clusters have a smaller temperature compared to their vapor. This alters the dynamical balance between attachment and detachment of monomers, allowing for stable nucleation of grains in vapors that are sub-saturated for their temperature. We find this effect particularly important at low densities and in the absence of a strong background radiation field. We find new conditions for stable nucleation in the n-T phase diagram. The nucleation in the non-LTE regions is likely to be at much slower rate than in the super-saturated vapors. We evaluate the nucleation rate, warning the reader that it does depend on poorly substantiated properties of the macro-molecules assumed in the computation. On the other hand, the conditions for nucleation depend only on the properties of the large stable grains and are more robust. We finally point out that this mechanism may be ...

  7. SUCCESS Evidence for Cirrus Cloud Ice Nucleation Mechanisms

    Science.gov (United States)

    Jensen, Eric; Gore, Warren J. Y. (Technical Monitor)

    1997-01-01

    During the SUCCESS mission, several measurements were made which should improve our understanding of ice nucleation processes in cirrus clouds. Temperature and water vapor concentration were made with a variety of instruments on the NASA DC-8. These observations should provide accurate upper tropospheric humidities. In particular, we will evaluate what humidities are required for ice nucleation. Preliminary results suggest that substantial supersaturations frequently exist in the upper troposphere. The leading-edge region of wave-clouds (where ice nucleation occurs) was sampled extensively at temperatures near -40 and -60C. These observations should give precise information about conditions required for ice nucleation. In addition, we will relate the observed aerosol composition and size distributions to the ice formation observed to evaluate the role of soot or mineral particles on ice nucleation. As an alternative technique for determining what particles act as ice nuclei, numerous samples of aerosols inside ice crystals were taken. In some cases, large numbers of aerosols were detected in each crystal, indicating that efficient scavenging occurred. Analysis of aerosols in ice crystals when only one particle per crystal was detected should help with the ice nucleation issue. Direct measurements of the ice nucleating activity of ambient aerosols drawn into airborne cloud chambers were also made. Finally, measurements of aerosols and ice crystals in contrails should indicate whether aircraft exhaust soot particles are effective ice nuclei.

  8. Atomic structure and special reactivity toward methanol oxidation of vanadia nanoclusters on TiO2(110).

    Science.gov (United States)

    Artiglia, Luca; Agnoli, Stefano; Vittadini, Andrea; Verdini, Alberto; Cossaro, Albano; Floreano, Luca; Granozzi, Gaetano

    2013-11-20

    We have grown highly controlled VOx nanoclusters on rutile TiO2(110). The combination of photoemission and photoelectron diffraction techniques based on synchrotron radiation with DFT calculations has allowed identifying these nanostructures as exotic V4O6 nanoclusters, which hold vanadyl groups, even if vanadium oxidation state is formally +3. Our theoretical investigation also indicates that on the surface of titania, vanadia mononuclear species, with oxidation states ranging from +2 to +4, can be strongly stabilized by aggregation into tetramers that are characterized by a charge transfer to the titania substrate and a consequent decrease of the electron density in the vanadium 3d levels. We then performed temperature programmed desorption experiments using methanol as probe molecule to understand the impact of these unusual electronic and structural properties on the chemical reactivity, obtaining that the V4O6 nanoclusters can selectively convert methanol to formaldehyde at an unprecedented low temperature (300 K). PMID:24160738

  9. Fabrication of nanoporous silver by de-alloying Cu-Zr-Ag amorphous alloys

    Science.gov (United States)

    Wang, Hui; Xiao, Shang-gang; Zhang, Tao

    2016-07-01

    Nanoporous silver (NPS) with a ligament size ranging from 15 to 40 nm was fabricated by de-alloying (Cu50Zr50)100- x Ag x ( x = 10at%, 20at%, 30at%, and 40at%) amorphous ribbons in a mixed aqueous solution of hydrofluoric (HF) acid and nitric acid under free corrosion conditions. Nanoporous silver ligaments and pore sizes were able to be fine-tuned through tailoring the chemical composition, corrosion conditions, and de-alloying time. The ligament size increases with an increase in Ag content and de-alloying time, but decreases with an increase in HF concentration. This phenomenon may be attributed to the dissolution of Zr/Cu and the diffusion, aggregation, nucleation, and recrystallization of Ag, leading to an oriented attachment of adjacent nanocrystals as revealed by TEM analysis.

  10. Voestalpine AG : equity valuation

    OpenAIRE

    Shamuradov, Rustam

    2014-01-01

    Voestalpine AG is a steel-based technology and capital goods group and a world leader in the manufacture, processing, and development of sophisticated steel products. The Group supplies technology-intensive sectors, such as the automotive, railway, aviation, and energy industries. The Group had adopted the development strategy for the decade, targeting 2 billion EUR in total revenue by 2020, which is 73% higher compared to the most recent result. The strategy also implies th...

  11. Equity valuation Siemens AG

    OpenAIRE

    Silva, Bernardo Santos

    2015-01-01

    This dissertation presents an in-depth analysis and consequent equity valuation of Siemens AG. The main objective of this paper is to provide an alternative perspective of what might be the fair value of this company considering its prospects of growth, risk and position in the market. The idea that value is highly subjective is kept in mind during all this process although it is important to understand how crucial this information is to shareholders and potential investors and the necessity ...

  12. AG mod rovet

    DEFF Research Database (Denmark)

    Storm, Rasmus K.

    2010-01-01

    Den nye storsatsning, AG København, ser ud til at give dansk herrehåndbold uforholdsmæssigt stor opmærksomhed. I en tid med pengenød og forhandlinger om en kommende tv-aftale, er det rent guf for håndboldens parter. Men den nyrige aktør øger også risikoen for, at ligaen brækker midt over såvel...

  13. Bubble nucleation in polymer–CO_2 mixtures

    OpenAIRE

    Xu, Xiaofei; Cristancho, Diego E.; Costeux, Stéphane; Wang, Zhen-Gang

    2013-01-01

    We combine density-functional theory with the string method to calculate the minimum free energy path of bubble nucleation in two polymer–CO_2 mixture systems, poly(methyl methacrylate) (PMMA)–CO_2 and polystyrene (PS)–CO_2. Nucleation is initiated by saturating the polymer liquid with high pressure CO_2 and subsequently reducing the pressure to ambient condition. Below a critical temperature (Tc), we find that there is a discontinuous drop in the nucleation barrier as a function of increased...

  14. Gas diffusion and temperature dependence of bubble nucleation during irradiation

    DEFF Research Database (Denmark)

    Foreman, A. J. E.; Singh, Bachu Narain

    1986-01-01

    The continuous production of gases at relatively high rates under fusion irradiation conditions may enhance the nucleation of cavities. This can cause dimensional changes and could induce embrittlement arising from gas accumulation on grain boundaries. Computer calculations have been made of the...... activation energy below Tm/2. The coalescence of diatomic nuclei due to Brownian motion markedly improves the agreement and also provides a well-defined terminal density. Bubble nucleation by this mechanism is sufficiently fast to inhibit any appreciable initial loss of gas to grain boundaries during the...... nucleation period, provided that incubation effects do not occur....

  15. Estimation of the nucleation rate by differential scanning calorimetry

    Science.gov (United States)

    Kelton, Kenneth F.

    1992-01-01

    A realistic computer model is presented for calculating the time-dependent volume fraction transformed during the devitrification of glasses, assuming the classical theory of nucleation and continuous growth. Time- and cluster-dependent nucleation rates are calculated by modeling directly the evolving cluster distribution. Statistical overlap in the volume fraction transformed is taken into account using the standard Johnson-Mehl-Avrami formalism. Devitrification behavior under isothermal and nonisothermal conditions is described. The model is used to demonstrate that the recent suggestion by Ray and Day (1990) that nonisothermal DSC studies can be used to determine the temperature for the peak nucleation rate, is qualitatively correct for lithium disilicate, the glass investigated.

  16. Nucleation and growth of polycrystalline SiC

    DEFF Research Database (Denmark)

    Kaiser, M.; Schimmel, S.; Jokubavicius, V.;

    2014-01-01

    The nucleation and bulk growth of polycrystalline SiC in a 2 inch PVT setup using isostatic and pyrolytic graphite as substrates was studied. Textured nucleation occurs under near-thermal equilibrium conditions at the initial growth stage with hexagonal platelet shaped crystallites of 4H, 6H and 15......R polytypes. It is found that pyrolytic graphite results in enhanced texturing of the nucleating gas species. Reducing the pressure leads to growth of the crystallites until a closed polycrystalline SiC layer containing voids with a rough surface is developed. Bulk growth was conducted at 35 mbar Ar...

  17. Cluster-support interactions and morphology of MoS2 nanoclusters in a graphite-supported hydrotreating model catalyst.

    Science.gov (United States)

    Kibsgaard, Jakob; Lauritsen, Jeppe V; Laegsgaard, Erik; Clausen, Bjerne S; Topsøe, Henrik; Besenbacher, Flemming

    2006-10-25

    Supported MoS(2) nanoparticles constitute the active component of the important hydrotreating catalysts used for industrial upgrading and purification of the oil feedstock for the production of fossil fuels with a low environmental load. We have synthesized and studied a model system of the hydrotreating catalyst consisting of MoS(2) nanoclusters supported on a graphite surface in order to resolve a number of very fundamental questions related to the atomic-scale structure and morphology of the active clusters and in particular the effect of a substrate used in some types of hydrotreating catalysts. Scanning tunneling microscopy (STM) is used to image the atomic-scale structure of graphite-supported MoS(2) nanoclusters in real space. It is found that the pristine graphite (0001) surface does not support a high dispersion of MoS(2), but by introducing a small density of defects in the surface, highly dispersed MoS(2) nanoclusters could be synthesized on the graphite. From high-resolution STM images it is found that MoS(2) nanoclusters synthesized at low temperature in a sulfiding atmosphere preferentially grow as single-layer clusters, whereas clusters synthesized at 1200 K grow as multilayer slabs oriented with the MoS(2)(0001) basal plane parallel to the graphite surface. The morphology of both single-layer and multilayer MoS(2) nanoclusters is found to be preferentially hexagonal, and atom-resolved images of the top facet of the clusters provide new atomic-scale information on the MoS(2)-HOPG bonding. The structure of the two types of catalytically interesting edges terminating the hexagonal MoS(2) nanoclusters is also resolved in atomic detail in STM images, and from these images it is possible to reveal the atomic structure of both edges and the location and coverage of sulfur and hydrogen adsorbates.

  18. Fabrication and in vitro characterization of gadolinium-based nanoclusters for simultaneous drug delivery and radiation enhancement

    Science.gov (United States)

    Yoo, Shannon S.; Guo, Linghong; Sun, Xuejun; Shaw, Andrew R.; Yuan, Zhipeng; Löbenberg, Raimar; Roa, Wilson H.

    2016-09-01

    We report the synthesis of a gadolinium hydroxide (Gd(OH)3) nanorod based doxorubicin (Dox) delivery system that can enhance both magnetic resonance imaging contrast and radiation sensitivity. A simple and cost effective wet-chemical method was utilized in the presence of manganese (Mn) ions and Dox to produce the Gd(OH)3:Mn·Dox nanocluster structure. The Gd(OH)3:Mn·Dox nanocluster was composed of Mn-doped Gd(OH)3 nanorods arranged in parallel with Dox as a linker molecule between the adjacent nanorods. No other studies have utilized Dox as both the linker and therapeutic molecule in a nanostructure to date. The Gd(OH)3 nanorod is reported to have no significant cellular or in vivo toxicity, which makes it an ideal base material for this biomedical application. The Gd(OH)3:Mn·Dox nanocluster exhibited paramagnetic behavior and was stable in a colloidal solution. The nanocluster also enabled high Dox loading capacity and specifically released Dox in a sustained and pH-dependent manner. The positively charged Gd(OH)3:Mn·Dox nanoclusters were readily internalized into MDA-MB-231 breast cancer cells via endocytosis, which resulted in intracellular release of Dox. The released Dox in cells was effective in conferring cytotoxicity and inhibiting proliferation of cancer cells. Furthermore, a synergistic anticancer effect could be observed with radiation treatment. Overall, the Gd(OH)3:Mn·Dox nanocluster drug delivery system described herein may have potential utility in clinics as a multifunctional theranostic nanoparticle with combined benefits in both diagnosis and therapy in the management of cancer.

  19. Fabrication and in vitro characterization of gadolinium-based nanoclusters for simultaneous drug delivery and radiation enhancement.

    Science.gov (United States)

    Yoo, Shannon S; Guo, Linghong; Sun, Xuejun; Shaw, Andrew R; Yuan, Zhipeng; Löbenberg, Raimar; Roa, Wilson H

    2016-09-23

    We report the synthesis of a gadolinium hydroxide (Gd(OH)3) nanorod based doxorubicin (Dox) delivery system that can enhance both magnetic resonance imaging contrast and radiation sensitivity. A simple and cost effective wet-chemical method was utilized in the presence of manganese (Mn) ions and Dox to produce the Gd(OH)3:Mn·Dox nanocluster structure. The Gd(OH)3:Mn·Dox nanocluster was composed of Mn-doped Gd(OH)3 nanorods arranged in parallel with Dox as a linker molecule between the adjacent nanorods. No other studies have utilized Dox as both the linker and therapeutic molecule in a nanostructure to date. The Gd(OH)3 nanorod is reported to have no significant cellular or in vivo toxicity, which makes it an ideal base material for this biomedical application. The Gd(OH)3:Mn·Dox nanocluster exhibited paramagnetic behavior and was stable in a colloidal solution. The nanocluster also enabled high Dox loading capacity and specifically released Dox in a sustained and pH-dependent manner. The positively charged Gd(OH)3:Mn·Dox nanoclusters were readily internalized into MDA-MB-231 breast cancer cells via endocytosis, which resulted in intracellular release of Dox. The released Dox in cells was effective in conferring cytotoxicity and inhibiting proliferation of cancer cells. Furthermore, a synergistic anticancer effect could be observed with radiation treatment. Overall, the Gd(OH)3:Mn·Dox nanocluster drug delivery system described herein may have potential utility in clinics as a multifunctional theranostic nanoparticle with combined benefits in both diagnosis and therapy in the management of cancer. PMID:27533280

  20. The fabrication of Ag nanoflake arrays via self-assembly on the surface of an anodic aluminum oxide template

    International Nuclear Information System (INIS)

    Vertical-aligned Ag nanoflake arrays are fabricated on the surface of an anodic aluminum oxide (AAO) template under a hydrothermal condition for the first time. The porous surface of AAO templates and the precursor solution may play key roles in the process of fabricating Ag nanoflakes. The rim of pores can provide many active sites for nucleation and growth, and then nanoflake arrays gradually form through self-assembly of Ag on the surface of AAO membranes. The product is characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM), and a growth mechanism of nanoflake is deduced. This work demonstrates that it is possible to make ordered nanoarrays without dissolving templates using the hydrothermal method, and this interesting Ag nanoflake arrays may provide a wider range of nanoscale applications.

  1. Ag transport in CrN-Ag nanocomposite coatings

    Energy Technology Data Exchange (ETDEWEB)

    Mulligan, C.P. [Department of Materials Science and Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180 (United States); U.S. Army Armament Research Development and Engineering Center, Benet Laboratories, Watervliet, NY 12189 (United States); Papi, P.A. [Department of Materials Science and Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180 (United States); Gall, D., E-mail: galld@rpi.edu [Department of Materials Science and Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180 (United States)

    2012-09-01

    2-{mu}m-thick CrN-Ag composite coatings containing 22 at.% Ag were deposited on Si(001) by reactive co-sputtering at T{sub s} = 300, 400, and 500 Degree-Sign C. Subsequent vacuum annealing at T{sub a} = 425, 525, and 625 Degree-Sign C causes Ag transport to the surface. Auger electron spectroscopy and plan-view microscopy are used to quantify the Ag transport to the surface, which increases strongly with increasing {Delta}T = T{sub a} - T{sub s}. Compositional depth profiles and cross-sectional microscopy show that annealing causes a negligible Ag gradient through the composite layer, suggesting that the Ag transport is detachment-limited as opposed to diffusion-limited. Statistical analyses of Ag aggregate size-distributions within the matrix show that large aggregates ({>=} 50 nm) are unaffected by annealing, while the Ag in a large fraction of small aggregates (< 50 nm) moves to the surface, leaving behind 10-50 nm wide voids in the annealed composite. This indicates that the Ag from the smaller grains, with a higher chemical potential and thus a higher detachment rate, is transferred to the large grains on the surface which are 200-1000 nm wide. - Highlights: Black-Right-Pointing-Pointer CrN-Ag coatings were deposited at T{sub s} = 300-500 Degree-Sign C and annealed at T{sub a} = 425-625 Degree-Sign C. Black-Right-Pointing-Pointer Ag diffuses from aggregates in the coating to the surface, if T{sub a} > T{sub s}. Black-Right-Pointing-Pointer During annealing, aggregates < 50 nm become voids, those > 50 nm are unaffected. Black-Right-Pointing-Pointer The Ag transport is detachment rather than diffusion limited.

  2. Ag doped silicon nitride nanocomposites for embedded plasmonics

    Energy Technology Data Exchange (ETDEWEB)

    Bayle, M.; Bonafos, C., E-mail: bonafos@cemes.fr; Benzo, P.; Benassayag, G.; Pécassou, B.; Carles, R. [CEMES-CNRS and Université de Toulouse, 29 rue J. Marvig, 31055 Toulouse, Cedex 04 (France); Khomenkova, L.; Gourbilleau, F. [CIMAP, CNRS/CEA/ENSICAEN/UCBN, 6 Boulevard Maréchal Juin, 14050 Caen, Cedex 4 (France)

    2015-09-07

    The localized surface plasmon-polariton resonance (LSPR) of noble metal nanoparticles (NPs) is widely exploited for enhanced optical spectroscopies of molecules, nonlinear optics, photothermal therapy, photovoltaics, or more recently in plasmoelectronics and photocatalysis. The LSPR frequency depends not only of the noble metal NP material, shape, and size but also of its environment, i.e., of the embedding matrix. In this paper, Ag-NPs have been fabricated by low energy ion beam synthesis in silicon nitride (SiN{sub x}) matrices. By coupling the high refractive index of SiN{sub x} to the relevant choice of dielectric thickness in a SiN{sub x}/Si bilayer for an optimum antireflective effect, a very sharp plasmonic optical interference is obtained in mid-range of the visible spectrum (2.6 eV). The diffusion barrier property of the host SiN{sub x} matrix allows for the introduction of a high amount of Ag and the formation of a high density of Ag-NPs that nucleate during the implantation process. Under specific implantation conditions, in-plane self-organization effects are obtained in this matrix that could be the result of a metastable coarsening regime.

  3. Ag doped silicon nitride nanocomposites for embedded plasmonics

    Science.gov (United States)

    Bayle, M.; Bonafos, C.; Benzo, P.; Benassayag, G.; Pécassou, B.; Khomenkova, L.; Gourbilleau, F.; Carles, R.

    2015-09-01

    The localized surface plasmon-polariton resonance (LSPR) of noble metal nanoparticles (NPs) is widely exploited for enhanced optical spectroscopies of molecules, nonlinear optics, photothermal therapy, photovoltaics, or more recently in plasmoelectronics and photocatalysis. The LSPR frequency depends not only of the noble metal NP material, shape, and size but also of its environment, i.e., of the embedding matrix. In this paper, Ag-NPs have been fabricated by low energy ion beam synthesis in silicon nitride (SiNx) matrices. By coupling the high refractive index of SiNx to the relevant choice of dielectric thickness in a SiNx/Si bilayer for an optimum antireflective effect, a very sharp plasmonic optical interference is obtained in mid-range of the visible spectrum (2.6 eV). The diffusion barrier property of the host SiNx matrix allows for the introduction of a high amount of Ag and the formation of a high density of Ag-NPs that nucleate during the implantation process. Under specific implantation conditions, in-plane self-organization effects are obtained in this matrix that could be the result of a metastable coarsening regime.

  4. Nucleation and undercooling of metal melt

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The effects of thermodynamic and dynamic factors on nucleation process have been integrated in a theoretical formula representing the dependence of undercooling on parameters concerned. Moreover, a method to determine the kind and amount of the most effective catalyst in an undercooled melt has been acquired. The results show that the undercooling increases with the decreasing surface area of the most effective catalyst and the increasing cooling rate as the kind of the most effective catalyst is constant. It increases to a maximum value when the ratio of the surface area of catalyst (SvV) to the cooling rate of melt (Rc) decreases to a critical value. The maximum undecooling not only depends on the ratio of non-dimensional factor of activation energy for an atom to diffuse (φ) to non-dimensional factor of driving force for nucleus to form (ψ), but also depends on the contact angle of the most effective catalyst; the smaller the ratio of φ to ψ, the higher the maximum undercooling, but it does not exceed the value of 2/3 melting point; the smaller the contact angle of the most effective catalyst, the lower the maximum undercooling, and the smaller the requisite value of SvV/Rc for the maximum undercooling also.

  5. Nucleation and growth of geological faults

    Directory of Open Access Journals (Sweden)

    D. Stoyan

    2011-08-01

    Full Text Available We present a new model of fault nucleation and growth based on the Weibull theory, already widely used in fracture research engineering. We propose that, according to a birth-and-growth process, germs (nuclei are born at random instants at random spatial locations and then grow with time. This leads to a satisfactory formulation of fault length distribution, different from classical statistical laws. Especially, this formulation reconciles previous analyses of fault datasets displaying power-law and/or exponential behaviors. The Weibull parameters can be statistically estimated in a simple way. We show that the model can be successfully fitted to natural data in Kenya and Ethiopia. In contrast to existing descriptive models developed for geological fault systems, such as fractal approaches, the Weibull theory allows to characterize the strength of the material, i.e. its resistance to deformation. Since this model is very general, we expect that it can be applied in many situations, and for simulations of geological fracture processes. The model is independent of deformation intensity and type and therefore allows a better constraint of the seismic risk in threatened regions.

  6. Nucleation and undercooling of metal melt

    Institute of Scientific and Technical Information of China (English)

    坚增运; 常芳娥; 马卫红; 严文; 杨根仓; 周尧和

    2000-01-01

    The effects of thermodynamic and dynamic factors on nucleation process have been integrated in a theoretical formula representing the dependence of undercooling on parameters concerned. Moreover, a method to determine the kind and amount of the most effective catalyst in an undercooled melt has been acquired. The results show that the undercooling increases with the decreasing surface area of the most effective catalyst and the increasing cooling rate as the kind of the most effective catalyst is constant. It increases to a maximum value when the ratio of the surface area of catalyst ( Sv V) to the cooling rate of melt ( Rc) decreases to a critical value. The maximum undecooling not only depends on the ratio of non-dimensional factor of activation energy for an atom to diffuse (φ) to non-dimensional factor of driving force for nucleus to form (ψ), but also depends on the contact angle of the most effective catalyst; the smaller the ratio of φ to ψ, the higher the maximum undercooling, but it does not

  7. Nucleation and growth of cadherin adhesions

    International Nuclear Information System (INIS)

    Cell-cell contact formation relies on the recruitment of cadherin molecules and their anchoring to actin. However, the precise chronology of events from initial cadherin trans-interactions to adhesion strengthening is unclear, in part due to the lack of access to the distribution of cadherins within adhesion zones. Using N-cadherin expressing cells interacting with N-cadherin coated surfaces, we characterized the formation of cadherin adhesions at the ventral cell surface. TIRF and RIC microscopies revealed streak-like accumulations of cadherin along actin fibers. FRAP analysis indicated that engaged cadherins display a slow turnover at equilibrium, compatible with a continuous addition and removal of cadherin molecules within the adhesive contact. Association of cadherin cytoplasmic tail to actin as well as actin cables and myosin II activity are required for the formation and maintenance of cadherin adhesions. Using time lapse microscopy we deciphered how cadherin adhesions form and grow. As lamellipodia protrude, cadherin foci stochastically formed a few microns away from the cell margin. Neo-formed foci coalesced aligned and coalesced with preformed foci either by rearward sliding or gap filling to form cadherin adhesions. Foci experienced collapse at the rear of cadherin adhesions. Based on these results, we present a model for the nucleation, directional growth and shrinkage of cadherin adhesions

  8. The Relationship between Nanocluster Precipitation and Thermal Conductivity in Si/Ge Amorphous Multilayer Films: Effects of Cu Addition

    OpenAIRE

    Ahmad Ehsan Mohd Tamidi; Yasushi Sasajima

    2016-01-01

    We have used a molecular dynamics technique to simulate the relationship between nanocluster precipitation and thermal conductivity in Si/Ge amorphous multilayer films, with and without Cu addition. In the study, the Green-Kubo equation was used to calculate thermal conductivity in these materials. Five specimens were prepared: Si/Ge layers, Si/(Ge + Cu) layers, (Si + Cu)/(Ge + Cu) layers, Si/Cu/Ge/Cu layers, and Si/Cu/Ge layers. The number of precipitated nanoclusters in these specimens, whi...

  9. DNA为模板的铂纳米团簇沉积%DNA-templated Platinum Nanocluster Deposition

    Institute of Scientific and Technical Information of China (English)

    晁洁; 刘霞; 刘洪波; 肖守军

    2007-01-01

    Platinum nanoclusters were deposited along the supercoiled DNA strands after incubation of cis-(trans-1R,2R-diaminocyclohexane)(dl-camphorato)platinum(Ⅱ) (Cdp), an analogue of the anti-tumor drug-carboplatin, with DNA and K2PtCl4 for 600 min and then through reduction of dimethylaminoborane (DMAB). The decrease of absorption of DNA at 260 nm indicates the coordination of Cdp and DNA. TEM and AFM were employed to characterize the morphologies and structures of platinum nanoclusters.

  10. One-dimensional nanoclustering of the Cu(100) surface under CO gas in the mbar pressure range

    Science.gov (United States)

    Eren, Baran; Zherebetskyy, Danylo; Hao, Yibo; Patera, Laerte L.; Wang, Lin-Wang; Somorjai, Gabor A.; Salmeron, Miquel

    2016-09-01

    The bulk terminated Cu(100) surface becomes unstable in the presence of CO at room temperature when the pressure reaches the mbar range. Scanning tunneling microscopy images show that above 0.25 mbar the surface forms nanoclusters with CO attached to peripheral Cu atoms. At 20 mbar and above 3-atom wide one-dimensional nanoclusters parallel to directions cover the surface, with CO on every Cu atom, increasing in density up to 115 mbar. Density functional theory explains the findings as a result of the detachment of Cu atoms from step edges caused by the stronger binding of CO relative to that on flat terraces.

  11. Kinetic modeling of nucleation experiments involving SO2 and OH: new insights into the underlying nucleation mechanisms

    Directory of Open Access Journals (Sweden)

    F. Yu

    2009-10-01

    Full Text Available Nucleation is an important source of atmospheric aerosols which have significant climatic and health implications. Despite intensive theoretical and field studies over the past decades, the dominant nucleation mechanism in the lower troposphere remains to be mysterious. Several recent laboratory studies on atmospheric nucleation may shed light on this important problem. However, the most interesting finding from those studies was based on the derived H2SO4 concentration whose accuracy has not yet been evaluated by any other means. Moreover, the threshold H2SO4 concentration needed to reach the same degree of nucleation reported by two separate nucleation studies varies by about one order of magnitude. In this study, we apply a recently updated kinetic nucleation model to study the nucleation phenomena observed in those recent experiments. We show that the H2SO4 concentration can be estimated with a higher level of accuracy with the kinetic model by constraining the simulated particle size distributions with observed ones. We find that the required H2SO4 concentrations to achieve the best agreement between modeling and measurements are a factor of ~2 to 4 higher than reported in those experiments. More importantly, by comparing the derived thermodynamic properties associated with the nucleation process, we conclude that different unknown species may participate in the two separate nucleation experimental studies, which may explain the large difference in the reported threshold H2SO4 concentration. Although the unknown species involved has yet to be identified, the derived values of thermodynamic properties can serve as a valuable guideline for the search of their chemical identities using advanced quantum-chemical approaches.

  12. Kinetic modeling of nucleation experiments involving SO2 and OH: new insights into the underlying nucleation mechanisms

    Directory of Open Access Journals (Sweden)

    F. Yu

    2009-01-01

    Full Text Available Nucleation is an important source of atmospheric aerosols which have significant climatic and health implications. Despite intensive theoretical and field studies during past decades, the dominant nucleation mechanism in the lower troposphere remains to be mysterious. Several recent laboratory studies on atmospheric nucleation may shed light on this important problem. However, the most interesting finding from those studies was based on the H2SO4 concentration whose accuracy has not yet been evaluated by any other methods. Moreover, the threshold H2SO4 concentration needed to reach the same degree of nucleation reported by two separate nucleation studies varies by about one order of magnitude. In this study, we apply a recently updated kinetic nucleation model to study the nucleation phenomena observed in those recent experiments. We show that the H2SO4 concentration can be estimated with a higher level of accuracy with the kinetic model by constraining the simulated particle size distributions with observed ones. We find that the H2SO4 concentration was underestimated in those studies by a factor of ~2 to 4. More importantly, by comparing the derived thermodynamic properties associated with the nucleation process, we conclude that different unknown species may participate in the two separate nucleation experimental studies, which may explain the large difference in the reported threshold H2SO4 concentration. Although the unknown species involved has yet to be identified, the derived values of thermodynamic properties can serve as a valuable guideline for the search of their chemical identities using advanced quantum-chemical approaches.

  13. Growth and ordering of Ni(II) diphenylporphyrin monolayers on Ag(111) and Ag/Si(111) studied by STM and LEED

    International Nuclear Information System (INIS)

    The room temperature self-assembly and ordering of (5,15-diphenylporphyrinato)nickel(II) (NiDPP) on the Ag(111) and Ag/Si(111)-(√3 × √3)R30° surfaces have been investigated using scanning tunnelling microscopy and low-energy electron diffraction. The self-assembled structures and lattice parameters of the NiDPP monolayer are shown to be extremely dependent on the reactivity of the substrate, and probable molecular binding sites are proposed. The NiDPP overlayer on Ag(111) grows from the substrate step edges, which results in a single-domain structure. This close-packed structure has an oblique unit cell and consists of molecular rows. The molecules in adjacent rows are rotated by approximately 17° with respect to each other. In turn, the NiDPP molecules form three equivalent domains on the Ag/Si(111)-(√3 × √3)R30° surface, which follow the three-fold symmetry of the substrate. The molecules adopt one of three equivalent orientations on the surface, acting as nucleation sites for these domains, due to the stronger molecule-substrate interaction compared to the case of the Ag(111). The results are explained in terms of the substrate reactivity and the lattice mismatch between the substrate and the molecular overlayer. (paper)

  14. Modelling the effect of acoustic waves on nucleation.

    Science.gov (United States)

    Haqshenas, S R; Ford, I J; Saffari, N

    2016-07-14

    A phase transformation in a metastable phase can be affected when it is subjected to a high intensity ultrasound wave. In this study we determined the effect of oscillation in pressure and temperature on a phase transformation using the Gibbs droplet model in a generic format. The developed model is valid for both equilibrium and non-equilibrium clusters formed through a stationary or non-stationary process. We validated the underlying model by comparing the predicted kinetics of water droplet formation from the gas phase against experimental data in the absence of ultrasound. Our results demonstrated better agreement with experimental data in comparison with classical nucleation theory. Then, we determined the thermodynamics and kinetics of nucleation and the early stage of growth of clusters in an isothermal sonocrystallisation process. This new contribution shows that the effect of pressure on the kinetics of nucleation is cluster size-dependent in contrast to classical nucleation theory. PMID:27421413

  15. Availability analysis for heterogeneous nucleation in a uniform electric field

    CERN Document Server

    Saidi, M H

    2003-01-01

    Industrial demands for more compact heat exchangers are a motivation to find new technology features. Electrohydrodynamics (EHD) is introduced as a promising phenomenon for heat transfer enhancement mechanisms. Similar to any new technology, EHD has not been understood completely yet and require more fundamental studies. In boiling phase change phenomena, nucleation is the dominant mechanism in heat transfer. Because of higher performance in heat transfer, nucleate boiling is considered as the main regime in thermal components. Hence, bubble dynamic investigation is a means to evaluate heat transfer. This study investigate bubble formation, including homogeneous and heterogeneous nucleation, from a thermodynamic point of view. Change in availability due to bubble embryo nucleation is discussed. Stability criteria for these systems are theoretically studied and results are discussed considering experimental data. In addition, a conceptual discussion on entropy generation in a thermodynamic system under electri...

  16. Nucleating quark droplets in the core of magnetars

    CERN Document Server

    Kroff, Daniel

    2014-01-01

    To assess the possibility of homogeneous nucleation of quark matter in magnetars, we investigate the formation of chirally symmetric droplets in a cold and dense environment in the presence of an external magnetic field. As a framework, we use the one-loop effective potential of the two-flavor quark-meson model. Within the thin-wall approximation, we extract all relevant nucleation parameters and provide an estimate for the typical time scales for the chiral phase conversion in magnetized compact star matter. We show how the critical chemical potential, critical radius, correlation length and surface tension are affected, and how their combination to define the nucleation time seems to allow for nucleation of quark droplets in magnetar matter even for not so small values of the surface tension.

  17. Simulating aerosol nucleation bursts in a coniferous forest

    Energy Technology Data Exchange (ETDEWEB)

    Tammet, H. [Tartu Univ. (Estonia). Dept. of Environmental Physics; Kulmala, M. [Helsinki Univ. (Finland). Div. of Atmospheric Sciences, Dept. of Physical Sciences

    2007-07-01

    We modified a numerical model of atmospheric aerosol nucleation bursts to include the dry deposition of ions and freshly nucleated particles onto tree needles in a coniferous forest. The dry deposition is estimated using the Churchill-Bernstein approximation, which is adapted from the theory of heat transfer. The model includes an improved submodel of the sink of ions and nucleation mode particles onto large particles of the background aerosol. The user can edit the values of 95 input parameters by altering a control file. The computing time on an ordinary PC is counted in seconds in case of a typical task, which is characterized by several thousands of time steps and several thousands of size sections. The numerical examples show that, during atmospheric aerosol nucleation events, the dry deposition of ions and nanometer scale particles onto the conifer needles has a considerable effect on the respective concentrations. (orig.)

  18. The Molecular Mechanism of Iron(III) Oxide Nucleation.

    Science.gov (United States)

    Scheck, Johanna; Wu, Baohu; Drechsler, Markus; Rosenberg, Rose; Van Driessche, Alexander E S; Stawski, Tomasz M; Gebauer, Denis

    2016-08-18

    A molecular understanding of the formation of solid phases from solution would be beneficial for various scientific fields. However, nucleation pathways are still not fully understood, whereby the case of iron (oxyhydr)oxides poses a prime example. We show that in the prenucleation regime, thermodynamically stable solute species up to a few nanometers in size are observed, which meet the definition of prenucleation clusters. Nucleation then is not governed by a critical size, but rather by the dynamics of the clusters that are forming at the distinct nucleation stages, based on the chemistry of the linkages within the clusters. This resolves a longstanding debate in the field of iron oxide nucleation, and the results may generally apply to oxides forming via hydrolysis and condensation. The (molecular) understanding of the chemical basis of phase separation is paramount for, e.g., tailoring size, shape and structure of novel nanocrystalline materials. PMID:27466739

  19. Chamber Design For Slow Nucleation Protein Crystal Growth

    Science.gov (United States)

    Pusey, Marc Lee

    1995-01-01

    Multiple-chamber dialysis apparatus grows protein crystals on Earth or in microgravity with minimum of intervention by technician. Use of multiple chambers provides gradation of nucleation and growth rates.

  20. Improvement on Diamond Nucleation Treated by Pulsed Arc Discharge Plasma

    Institute of Scientific and Technical Information of China (English)

    马志斌; 万军; 汪建华; 张文文

    2004-01-01

    A technique of improvement on diamond nucleation based on pulsed arc discharge plasma at atmospheric pressure was developed. The pulsed arc discharge was induced respectively by nitrogen, argon and methanol gas. After the arc plasma pretreatment, a nucleation density higher than 1010 cm-2 may be obtained subsequently in chemical vapor deposition (CVD) on a mirror-polished silicon substrate without any other mechanical treatment. The effects of the arc discharge plasma on the diamond nucleation were investigated by scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), infrared spectroscopy (IR) and Raman spectroscopy. The enhancement of nucleation is postulated to be a result of the formation of carbonlike phase materials or nitrogenation on the substrate surface without surface defect produced by arc discharge.