Effect of temperature on welding of metallic nanowires investigated using molecular dynamics simulations

The mechanism of welding of Au–Au, Ag–Ag and Au–Ag nanowires (NWs) with head-to-head contact is studied using molecular dynamics simulations based on the second-moment approximation of the many-body tight-binding potential. The effect of temperature in the range of 300–900 K is investigated. Simulation results show that at the initial welding, an incomplete jointing area forms through the interactions of the van der Waals attractive force, and that the jointing area increases with increasing the extent of contact between the two NWs during the welding process and temperature. Few defects form along the (1 1 1) close-packed plane during the welding process because the acting stress is quite low. Among the three NW pairs, the Au–Au NWs have the best cold-welding quality, whereas the Au–Ag NWs have the worst cold-welding quality due to the welding of different materials. With an increase in temperature, the weld stress and the mechanical strength of the NWs significantly decrease, and the number of disordered structures increases. The welding fails when the temperature exceeds the molten temperature of the NWs.     

[(B3O3H3)nM]+(n = 1, 2;M = Cu, Ag, Au): a new class of metal-cation complexes

A density functional theory (DFT) investigation into the structures and bonding characteristics of [(B₃O₃H₃)_nM]⁺(n?=?1, 2;M?=?Cu, Ag, Au) complexes was performed. DFT calculations and natural bond orbital (NBO) analyses indicate that the ΙB metal complexes of boroxine exhibit intriguing bonding characteristics, different from the typical cation–π interactions between ΙB metal-cations and benzene. The complexes of [B₃O₃H₃M]⁺ and [(B₃O₃H₃)₂?M]⁺ (M?=?Cu, Ag, and Au) favor the conformation of perfectly planar structures with the C_2v and D_2h symmetry along one of the threefold molecular axes of boroxine, respectively. Detailed natural resonance theory (NRT) and canonical molecular orbitals (CMOs) analyses show that interaction between the metal cation and the boroxine in [B₃O₃H₃M]⁺ (M?=?Cu, Ag, and Au) is mainly ionic, while the ΙB metal-cations←π donation effect is responsible for the binding site. In these complexes, boroxine serves as terminals η¹-B₃O₃H₃ with one O atom of the B₃O₃ ring. The infra-red (IR) spectra of [B₃O₃H₃M]⁺ were simulated to facilitate their future experimental characterization. The complexes all give two IR active modes at about 1,300 and 2,700 cm^?1, which are inactive in pure boroxine. Simultaneously, the B–H stretching modes of the complexes are red-shifted due to the interaction between the metal-cation and boroxine. To explore the possibility of the structural pattern developed in this work forming mesoporous materials, complexes [(B₃O₃H₃M)₆]⁶⁺ (M?=?Cu, Ag, and Au) were also studied, which appear to be unique and particular interesting: they are all true minima with D_6h symmetries and pore sizes ranging from 12.04 Å to 13.65 Å.

Dispersion and Damping of Gold Surface Plasmon

High-resolution electron energy loss spectroscopy was used to investigate the surface plasmon dispersion in (111)-oriented Au films grown on Cu(111). The measured dispersion of the plasmon mode was positive, as found for Ag. The centroid of the induced charge associated to the plasmon field lies well inside the jellium edge. The damping relation of the Au surface plasmon presented a critical wave vector of 0.11 Å^?1. For higher values of the parallel momentum transfer, the line width of Au surface plasmon considerably increased as a consequence of the opening of a new decay channel via single-particle transitions.     

Sensitive and Robust Colorimetric Sensing of Sulfide Anion by Plasmonic Nanosensors Based on Quick Crystal Growth

A highly sensitive and selective method for colorimetric sensing of sulfide anions in aqueous solutions is illustrated. The sensing mechanism is based on quick crystallization from Ag to Ag₂S in the presence of sulfide anions which alter the dielectric properties of the Au/Ag core/shell nanorods. The longitudinal surface plasmon resonance peak of the Au/Ag nanorods at about 686 nm undergoes a redshift and the color of the nanorod solution also changes from light green to purple. Sulfide ions at a concentration of 4.0 μM (1.3 ppb) can be detected visually and a sensitivity of 0.5 μM (167 ppt) is achieved by Vis–near-infrared spectrophotometry. Compared to other plasmonic sensors, our Au/Ag nanorod probe does not require surface modification while exhibiting high stability and robustness under different pH conditions. This simple and cost-effective sensing platform provides a rapid and convenient detection for sulfide anions at concentrations far below the hazardous limit in aqueous media.     

Optimization of Surface Plasmon Resonance Biosensor with Ag/Au Multilayer Structure and Fiber-Optic Miniaturization

In this paper, we report a novel wavelength interrogation-based surface plasmon resonance (SPR) system, in which a film of three Ag layers and three Au layers are alternately deposited on a Kretschmann configuration as sensing element. This multilayer film shows higher sensitivity for refractive index (RI) measurement by comparing with single Au layer structure, which is consistent with its theoretical calculation. A sensitivity range of 2056–5893 nm/RIU can be achieved, which is comparable to RI sensitivities of other wavelength-modulated SPR sensors. Compared with Ag film, this Ag/Au multilayer arrangement offers anti-oxidant protection. This SPR biosensor based on a cost-effective Ag/Au multilayer structure is applicable to the real-time detection of specific interactions and dissociation of low protein concentrations. To extend the application of this highly-sensitive metal film device, we integrated this concept on an optical fiber. The range of RI sensitivities with Ag/Au multilayer was 1847–3309 nm/RIU. This miniaturized Ag/Au multilayer-based fiber optic sensor has a broad application in chemical and biological sensing.     

A Highly Sensitive Resonance Scattering Assay for Immunoglobulin M Using Ag(I)–Hydroquinone–Immunonanogold Catalytic Reaction

Ten-nanometer nanogold showed the strongest catalytic effect on the particle reaction between Ag(I) and hydroquinone to form nanosilver particles that exhibited the strongest resonance scattering (RS) peak at 350 nm. The enhanced RS intensity was linear to the nanogold concentration in the range of 30–5,700 nM Au. The nanogold was used to label goat antihuman immunoglobulin M (GIgM) to obtain an immunonanogold probe (AuGIgM) for immunoglobulin M (IgM). Based on the nanogold-labeled immunoreaction between IgM and AuGIgM, centrifugation, and AuGIgM–Ag(I)–hydroquinone nanocatalytic reaction, a highly sensitive and selective immunonanogold-catalytic Ag particle RS assay for 0.2–300 ng mL^?1 IgM was proposed, with a detection limit of 0.1 ng mL^?1. This assay was simple and sensitive and was applied to assay IgM in serum samples, with satisfactory results.     

Sn‐Alloy Foil Electrode with Mechanical Prelithiation: Full‐Cell Performance up to 200 Cycles

Self‐supporting Sn foil is a promising high‐volumetric‐capacity anode for lithium ion batteries (LIBs), but it suffers from low initial Coulombic efficiency (ICE). Here, mechanical prelithiation is adopted to improve ICE, and it is found that Sn foils with coarser grains are prone to cause electrode damage. To mitigate damage and prepare thinner lithiated electrodes, 3Ag0.5Cu96.5Sn foil is used that has more refined grains (5–10 µm) instead of Sn (50–100 µm), where the abundant grain boundaries (GBs) offer more sliding systems to release stress and reduce deep fractures. Thus, the thickness of Li_x3Ag0.5Cu96.5Sn can be reduced to 50 µm, compared to 100 µm Li_xSn. When the foils contact open air, the Sn‐Li‐O(H) products are more stable than Li‐O(H), thus Li_x3Ag0.5Cu96.5Sn shows outstanding air stability. The as‐prepared 50 µm foil anode achieves stable 200 cycles in LiFePO₄//Li_x3Ag0.5Cu96.5Sn full cell (≈2.65 mAh cm^?2) and the capacity retention is 95%. Even at 5C, the capacity of Li_x3Ag0.5Cu96.5Sn is still up to ≈1.8 mAh cm^?2. The cycle life of NCM523//Li_x3Ag0.5Cu96.5Sn full cell exceeds that of NCM523//Li. Furthermore, 70 µm Li_x3Ag0.5Cu96.5Sn is used as double‐sided anode for a 3 cm × 2.8 cm pouch cell and its actual volumetric capacity density is 674 mAh cm^?3 after 50 cycles.     

Production of ultrafine gold and silver particles by means of a gas evaporation and solvent trap technique

Gold (Au) and Silver (Ag) colloids were produced in ethanol by a gas evaporation technique combined with a solvent trap method. Both the clusters in the solution and those collected before entering the solution were examined by transmission electron microscopy. The size of colloids in ethanol was 30 ∼ 100Åfor Au and 50 ∼ 200Åfor Ag. In contrast, the clusters collected before the solution trap had a dimension of 10 to 60Å, which is smaller than those trapped in ethanol. This size increase was brought about by coalescent growth in the solution, which took place when the solution temperature was raised from dry ice/acetone temperature to room temperature.     

Synthesis of Silver and Gold Nanoparticles Using Cashew Nut Shell Liquid and Its Antibacterial Activity Against Fish Pathogens

This study reveals a green process for the production of multi-morphological silver (Ag NPs) and gold (Au NPs) nanoparticles, synthesized using an agro-industrial residue cashew nut shell liquid. Aqueous solutions of Ag⁺ ions for silver and chloroaurate ions for gold were treated with cashew nut shell extract for the formation of Ag and Au NPs. The nano metallic dispersions were characterized by measuring the surface plasmon absorbance at 440 and 546 nm for Ag and Au NPs. Transmission electron microscopy showed the formation of nanoparticles in the range of 5–20 nm for silver and gold with assorted morphologies such as round, triangular, spherical and irregular. Scanning electron microscopy with energy dispersive spectroscopy and X-ray diffraction analyses of the freeze-dried powder confirmed the formation of metallic Ag and Au NPs in crystalline form. Further analysis by Fourier transform infrared spectroscopy provided evidence for the presence of various biomolecules, which might be responsible for the reduction of silver and gold ions. The obtained Ag and Au NPs had significant antibacterial activity, minimum inhibitory concentration and minimum bactericidal concentration on bacteria associated with fish diseases.     

Scattering Efficiency and LSPR Tunability of Bimetallic Ag,Au, and Cu Nanoparticles

Scattering efficiencies of Ag–Cu, Ag–Au, and Au–Cu alloy nanoparticles are studied based on Mie theory for their possible applications in solar cells. The effect of size (radius), surrounding medium, and alloy composition on the scattering efficiency at the localized surface plasmon resonance (LSPR) wavelengths has been reported. In the alloy nanoparticles of Ag_1?x Cu _x , Au_1?x Cu _x and Ag_1?x Au _x ; the scattering efficiency gets red-shifted with increase in x. Moreover, the scattering efficiency enhancement can be tuned and controlled with both the alloy composition and the surrounding medium refractive index. A linear relationship which is in good agreement to the experimental observations between the scattering efficiency and metal composition in the alloys are found. The effect of nanoparticle size and LSPR wavelength (scattering peak position) on the full width half maxima and scattering efficiency has also been studied. Comparison of Au–Ag, Au–Cu, and Ag–Cu alloy nanoparticles with 50-nm radii shows the optical response of Ag–Cu alloy nanoparticle with wide bandwidth in the visible region of the electromagnetic spectrum making them suitable for plasmonic solar cells. Further, the comparison of Ag–Cu alloy and core@shell nanoparticles of similar size and surrounding medium shows that Cu@Ag nanoparticle exhibits high scattering efficiency with nearly the same bandwidth.     

Rational Selection of Nanorod Plasmons: Material, Size, and Shape Dependence Mechanism for Optical Sensors

The localized surface plasmon resonance dependence on surrounding medium refractive index of Ag, Al, Au, and Cu nanoparticles is examined by electrodynamic approach. The refractive index sensitivity and sensing figure of merit (FOM) dependence of selected metal nanoparticles with similar geometry shows that although, sensing relevant parameters are shape (i.e., aspect ratio), and material dependent below the width 20 nm, but above this size these parameters are material independent under similar geometrical conditions. We have concluded that at optimum size, however, Al shows much higher refractive index sensitivity (RIS) in comparison to Au, Cu, and Ag, but FOM is higher for Ag in comparison to other metals. The observed sensing behavior is expected due to parameters like surface scattering, dynamic depolarization, radiation damping, and interband transitions, which may influence the nanorod plasmons.     

Effect of electrode characteristics on electromyographic activity of the masseter muscle

ObjectivesThe study investigated effects of electrode material, inter-electrode distance (IED), and conductive gel on electromyographic (EMG) activity recorded from the masseter muscle.Materials and methodsEMG was recorded unilaterally, as ten volunteers performed standardized oral tasks. Ag/AgCl and Ag coated with Au were the gel-based; Ag alloy coated with graphene, pure Ag coated with graphene and silver nanowire embedded electrodes were the gel-free materials tested. Ag/AgCl electrodes were tested at three different IEDs (i.e. 15 mm, 20 mm, 25 mm). An electrode relative performance index (ERPI) was defined and calculated for each of the standardized oral tasks that the volunteers performed. ERPI values obtained for the different oral tasks with different electrode materials and IEDs were compared using two-way repeated-measures ANOVA.ResultsERPI values were not significantly influenced by IED. However, for the electrode materials statistically significant differences were found in ERPI values for all oral tasks. Of the gel-free electrode materials tested, pure silver electrodes coated with graphene had the highest ERPI values followed by Ag alloy electrodes coated with graphene and silver nanowire embedded electrodes.ConclusionsWithin the limitations of the study, IED between 15 and 25 mm has a negligible effect on masseter muscle EMG. Graphene coated and silver nanowire embedded electrodes show promise as gel-free alternatives.     

Theoretical study of the geometrical and electronic structures and thermochemistry of spherophanes

A set of supramolecular cage-structures—spherophanes—was studied at the density functional B3LYP level. Full geometrical structure optimisations were made with 6–31G and 6–31G(d) basis sets followed by frequency calculations, and electronic energies were evaluated at B3LYP/6–31++G(d,p). Three different symmetries were considered: C1, Ci, and Oh. It was found that the bonds between the benzene rings are very long to allow π-electron delocalisation between them. These spherophanes show portal openings of 2.596 Å in Spher1, 4.000 Å in Meth2, 3.659 Å in Oxa3, and 4.412 Å in Thia4. From the point of view of potential host–guest interaction studies, it should also be noted that the atoms nearest to the centre of the cavities are carbons bonded to X groups. These supramolecules seem to exhibit relatively large gap HOMO?LUMO: 2.89 eV(Spher1), 5.26 eV(Meth2), 5.73 eV(Oxa3), and 4.82 eV(Thia4). The calculated ΔH°_f (298.15 K) values at B3LYP/6–31G(d) are (in kcal mol^?1) 750.98, 229.78, ?10.97, and 482.49 for Spher1, Meth2, Oxa3, and Thia4, respectively. Using homodesmotic reactions, relative to Spher1, the spherophanes Meth2, Oxa3, and Thia4 are less strained by ?399.13 kcal mol^?1, ?390.40 kcal mol^?1, and ?411.38 kcal mol^?1, respectively. Their infrared and ¹³C NMR calculated spectra are reported.     

Electronic structure and band gap engineering of ZnO-based semiconductor alloy films

We have conducted first-principles total-energy density functional calculations to study the atomic structures, band structures and electronic structures of Zn_1 ? xM_xO (M = Be, Mg, Cd, Ag, Cu) semiconductor alloys. The Heyd–Scuseria–Ernzerhof hybrid functional has been performed to yield lattice constants and band gaps of Zn_1 ? xM_xO semiconductor in much better agreement with experimental data than with the standard local exchange correlation functional. We found that the strong coupling between O 2p and Cu 3d or Ag 4d bands plays a key role in narrowing of band gaps and leading to the half-metallic behaviour interpreted with the unique spatial distribution pattern between the highest occupied molecular orbital and the lowest unoccupied molecular orbital.     

Simultaneous Photoluminescence and SERS Observation of Nanodiamond at Laser Deposition on Noble Metals

The metal-modified luminescence and surface-enhanced Raman scattering (SERS) occurring near nanostructured surfaces of noble metals recently have been observed for different kinds of nanocrystals associated with the metal nanostructures. In the present work, the photoluminescence and Raman scattering of diamond nanocrystals of sizes 100 and 300 nm patterned on Ag and Au thin nanostructured films via laser accelerated deposition using a femtosecond laser are discussed. The laser accelerated deposition forms ordered periodical nanodiamond–metal nanostructures and allows adjusting the interaction between nanodiamond and metal by varying the laser acceleration parameters as well as by using different metals (Ag and Au), and varying the structure of the metal film. Correspondingly, the spectroscopic properties of the system determined by interaction between nanoparticles and metal are tuned. The enhancement of nanodiamond photoluminescence together with SERS of graphite fraction and disordered carbon of nanodiamonds are observed for nanodiamond–Ag structures at 488- and 532-nm excitations, while for the nanodiamond–Au structure some characteristic SERS effects are observed at 785-nm excitation. The mechanisms of enhancement are discussed considering the nanodiamond–metal interaction and laser acceleration effect on nanodiamond.     

Design and application of electrodes for the determination of dissolved oxygen

The design and circuitry of solid electrodes of the Clark type for the determination of oxygen dissolved in microbial cultures and the suitable techniques are described. For the electrodes a portable battery instrument with an amplifier and recorder was developed. The electrode materials tested were: Au, Pt, Ag (cathode) and Ag/Ag₂O and Ag/AgCl (anode). The effect of the presence of carbon dioxide on the course of the polarographic curves was determined. The temperature effect was determined for various membrane materials and its compensation with a thermistor was investigated. The effect of the circuit and design of the electrodes on stability, response time, reproducibility of measurement, durability of the electrodes and applicability in microbiology are discussed.     

Effects of localised,low-voltage pulsed electric fields on the development and inhibition of Pseudomonas aeruginosa biofilms

Abstract

This work describes the use of low-voltage (0.5 – 5 V) pulsed electric fields to prevent Pseudomonas aeruginosa biofilm development. Interdigitated electrodes (IDEs) with 29-μm spacing between 22-μm-wide electrodes, were used as a platform where the effect of localised, high-strength electric fields could be tested. Alternating current, square-wave pulses were applied to the IDEs in 1 sec intervals. A two-level, three-variable factorial design experiment was used to detect the effects of applied voltage, frequency, and pulse duty ratio (i.e. percentage of pulsing time over one cycle) on the inhibition of biofilm formation. The observations indicated that a pulse configuration of 1% duty ratio, 5 V, and 200 Hz frequency reduced the area of the electrodes covered by biofilm by 50%. In general, the application of low-duty ratio pulses had a positive effect on preventing biofouling. Comparatively, frequency and applied voltage were observed to have less influence on biofouling.     

Block of inward rectification by intracellular H+ in immature oocytes of the starfish Mediaster aequalis

Intracellular pH was recorded in immature starfish oocytes using pH- sensitive microelectrodes, and inwardly rectifying potassium currents were measured under voltage clamp. When the intracellular pH was lowered using acetate-buffered artificial sea water from the normal value of 7.09 to 5.9, inward rectification was completely blocked. The relationship between inward rectification and internal pH between 7.09 and 5.9 could be fit by a titration curve for the binding of three H ions to a site with a pK of 6.26 to block the channel. The H+ block showed no voltage dependence, and the activation kinetics of the inwardly rectifying currents were not affected by the changes in internal pH.     

On the Impact of Contact Selectivity and Charge Transport on the Open‐Circuit Voltage of Organic Solar Cells

The selectivity of electrodes of solar cells is a critical factor that can limit the overall efficiency. If the selectivity of an electrode is not sufficient both electrons and holes recombine at its surface. In materials with poor transport properties such as in organic solar cells, these surface recombination currents are accompanied by large gradients of the quasi‐Fermi energies as the driving force. Experimental results from current–voltage characteristics, advanced photo‐ and electroluminescence as well as charge extraction of three different photoactive materials are shown and compared to drift‐diffusion simulations. It can be concluded that in cases of electrodes with reduced selectivity the decrease of the open‐circuit voltage can be divided into two distinct contributions, the reduction of the overall steady‐state charge carrier density and the gradients of the quasi‐Fermi energies. The results clearly show that for photoactive layers with poor transport properties, the gradient of the quasi‐Fermi energy in the vicinity of the contact is the main contribution to the loss in open‐circuit voltage. For imbalanced mobilities, this gives rise to the phenomenon that it is more challenging to realize a selective contact for the less mobile charge carrier, i.e., the hole contact in most organic solar cells.