Electrical conductance of molecular junctions by a robust statistical analysis

We propose an objective and robust method to extract the electrical conductance of single molecules connected to metal electrodes from a set of measured conductance data. Our method roots in the physics of tunneling and is tested on octanedithiol using mechanically controllable break junctions. The single molecule conductance values can be deduced without the need for data selection.     

Two-level conductance fluctuations of a single-molecule junction

The conductance of a single-molecule junction in a low-temperature scanning tunneling microscope has been measured at nanosecond time resolution. In a transition region between tunneling and contact the conductance exhibits rapid two-level fluctuations which are attributed to different geometries of the junction. The voltage dependence of the fluctuations indicates that electrons injected into the lowest unoccupied molecular orbital may efficiently couple to molecular vibrations.     

A surface-anchored molecular four-level conductance switch based on single proton transfer

The development of a variety of nanoscale applications requires the fabrication and control of atomic or molecular switches that can be reversibly operated by light, a short-range force, electric current or other external stimuli. For such molecules to be used as electronic components, they should be directly coupled to a metallic support and the switching unit should be easily connected to other molecular species without suppressing switching performance. Here, we show that a free-base tetraphenyl-porphyrin molecule, which is anchored to a silver surface, can function as a molecular conductance switch. The saddle-shaped molecule has two hydrogen atoms in its inner cavity that can be flipped between two states with different local conductance levels using the electron current through the tip of a scanning tunnelling microscope. Moreover, by deliberately removing one of the hydrogens, a four-level conductance switch can be created. The resulting device, which could be controllably integrated into the surrounding nanoscale environment, relies on the transfer of a single proton and therefore contains the smallest possible atomistic switching unit.     

Tuning the conductance of a molecular switch

The ability to control the conductance of single molecules will have a major impact in nanoscale electronics. Azobenzene, a molecule that changes conformation as a result of a trans/cis transition when exposed to radiation, could form the basis of a light-driven molecular switch. It is therefore crucial to clarify the electrical transport characteristics of this molecule. Here, we investigate, theoretically, charge transport in a system in which a single azobenzene molecule is attached to two carbon nanotubes. In clear contrast to gold electrodes, the nanotubes can act as true nanoscale electrodes and we show that the low-energy conduction properties of the junction may be dramatically modified by changing the topology of the contacts between the nanotubes and the molecules, and/or the chirality of the nanotubes (that is, zigzag or armchair). We propose experiments to demonstrate controlled electrical switching with nanotube electrodes.     

Electrical conductance in a single carbon nanofiber

A microwave-plasma enhanced chemical-vapor-deposition (MPECVD) method was used to grow a solo multi-wall carbon nanofiber, which plays as a bridge across nickel electrodes that were separated by the photolithographic process. The length and diameter of carbon nanofiber are 3 microm and 100 nm, respectively. The single wire across the electrodes reveals a step current-voltage characteristic measured at high currents and low temperatures while shows a continuous behavior for multiple nanofibers. This stepwise conductance can be successfully dwelled by the quasi one-dimensional transport theory of conductors without considering the electron-phonon interaction at low temperatures and is expected to play a crucial role to determine the electrical behavior of these nanodevices.     

Aggregation behavior of Na-neutralized styrene-ran-methacrylic acid copolymers in aqueous solution

The aggregation behavior of un-neutralized, partly and fully Na-neutralized poly(styrene-ran-methacrylic acid) copolymers in aqueous solution was investigated using a SEM technique. It was observed that the un-neutralized copolymer formed spherical particles on the Si wafer, and the average size of particles was ca. 160 nm. The particle sizes did not change much with acid content. Upon the neutralization of the acid groups of the copolymer with NaOH, the copolymer became more hydrophilic, leading to the formation of network-like feature consisting of much smaller particles (< 50 nm), compared to those of the acid copolymers. With increasing ionization, the boundary of the particles forming networks faded away, implying the formation of tubular structures.     

Rapid and efficient detection of single chromophore molecules in aqueous solution

The first experiments on the detection of single fluorescent molecules in a flowing stream of an aqueous solution with high total efficiency are reported. A capillary injection system for sample delivery causes all the dye molecules to pass in a diffusion-broadened stream within a fast-moving sheath flow, through the center of the tightly focused laser excitation beam. Single-molecule detection with a transit time of ~1 ms is accomplished with a high-quantum-efficiency single-photon avalanche diode and a low dead-time time-gating circuit for discrimination of Raman-scattered light from the solvent.     

Voltage-induced adsorbate damping of single gold nanorod plasmons in aqueous solution

Unbiased gold nanoparticles are negatively charged in aqueous solution but not hydrated. Optical spectroscopy of voltage-clamped single gold nanoparticles reveals evidence that anion adsorption starts at positive potentials above the point of zero charge, causing severe but reversible plasmon damping in combination with a spectral red shift exceeding the linear double layer charging effect. Plasmon damping by adsorbate is relevant for the use of nanoparticles in catalysis, in biodiagnostics, and in surface enhanced Raman scattering.     

Effect of initial aqueous solution concentration on rheological behavior of ice slurry

Ice slurry displays many advantages as a phase-change material because the latent heat of ice particles can be used and their heat exchange area is large. In this study, the effect of initial concentration on the rheological behavior of ice slurry was investigated experimentally. Ice slurry flowed upward and downward to keep it homogeneous in the tube, and pressure drop was measured to explain the rheological behavior of the ice slurry. The ice packing factor, Reynolds number, and initial aqueous solution concentration were varied as parameters. The ice slurry flow characteristics exhibit a pseudo-plastic fluid tendency for 5 and 10 wt% of the initial concentration. Ice slurry generated from 2 wt% ethanol solution behaves as a Newtonian fluid.     

Influence of the shape of nanostructured metal surfaces on adsorption of single peptide molecules in aqueous solution

Self-assembly and function of biologically modified metal nanostructures depend on surface-selective adsorption; however, the influence of the shape of metal surfaces on peptide adsorption mechanisms has been poorly understood. The adsorption of single peptide molecules in aqueous solution (Tyr(12) , Ser(12) , A3, Flg-Na(3) ) is investigated on even {111} surfaces, stepped surfaces, and a 2 nm cuboctahedral nanoparticle of gold using molecular dynamics simulation with the CHARMM-METAL force field. Strong and selective adsorption is found on even surfaces and the inner edges of stepped surfaces (-20 to -60 kcal/mol peptide) in contrast to weaker and less selective adsorption on small nanoparticles (-15 to -25 kcal/mol peptide). Binding and selectivity appear to be controlled by the size of surface features and the extent of co-ordination of epitaxial sites by polarizable atoms (N, O, C) along the peptide chain. The adsorption energy of a single peptide equals a fraction of the sum of the adsorption energies of individual amino acids that is characteristic of surface shape, epitaxial pattern, and conformation constraints (often β-strand and random coil). The proposed adsorption mechanism is supported and critically evaluated by earlier sequence data from phage display, dissociation constants of small proteins as a function of nanoparticle size, and observed shapes of peptide-stabilized nanoparticles. Understanding the interaction of single peptides with shaped metal surfaces is a key step towards control over self-organization of multiple peptides on shaped metal surfaces and the assembly of superstructures from nanostructures.     

Stretching and breaking of a molecular junction

Density functional theory (DFT) calculations based on band structure are used to investigate the electromechanical properties of a molecular junction consisting of a dithiolbenzene molecule sandwiched between two gold slabs. This represents a prototypical system for the field of molecular electronics; such a system has previously been studied in break-junction measurements and electron-transport calculations. The stretching and breaking behavior of the junction is analyzed for different geometric conformations, and it is found that the breakage occurs through dissociation of one of the sulfur-gold bonds with a maximum force of 1.25 nN. The molecular electronic states shift during stretching, and, at the point of highest stress in the junction, the highest occupied molecular orbital (HOMO) of the molecule is located exactly at the Fermi level.     

First-principles calculation of the conductance of a single 4,4 bipyridine molecule

The conductance of a single 4,4 bipyridine (44BPD) molecule connected to two gold electrodes is calculated using a density functional theory based Green function method. The atomic geometry of such a molecular junction is constructed from the optimized structure of a gold trimer-44BPD-gold trimer complex. Resonant conduction is the main feature of its transport properties. The magnitude of the transmission coefficient at the Fermi level is determined to be T = 1.01 × 10(-2), which is in excellent agreement with the experimental value. The dependence of the transmission on the Au-N bond length and the torsion angle is also discussed.     

The effect of pure iron in a nanocrystalline grain size on the corrosion inhibitor behavior of sodium benzoate in near-neutral aqueous solution

The effect of grain size reduction on the electrochemical and corrosion behavior of iron with different grain sizes (32–750 nm) produced by direct and pulsed current electrodeposition were characterized using Tafel polarization curves and electrochemical impedance spectroscopy. The grain size of deposits was determined by X-ray diffraction analysis and scanning electron microscopy. The tests were carried out in an aqueous electrolyte containing 30 mg L⁻¹ NaCl + 70 mg L⁻¹ Na₂SO₄. Results obtained suggested that the inhibition effect and corrosion protection of sodium benzoate inhibitor in near-neutral aqueous solutions increased as the grain size decreased from microcrystalline to nanocrystalline. The improvement on the inhibition effect is attributed to the increase of the surface energy.     

Corrosion behavior of aluminum doped diamond-like carbon thin films in NaCl aqueous solution

Aluminum doped diamond-like carbon (DLC:Al) thin films were deposited on n-Si(100) substrates by co-sputtering a graphite target under a fixed DC power (650 W) and an aluminum target under varying DC power (10-90 W) at room temperature. The structure, adhesion strength and surface morphology of the DLC:Al films were characterized by X-ray photoelectron spectroscopy (XPS), micro-scratch testing and atomic force microscopy (AFM), respectively. The corrosion performance of the DLC:Al films was investigated by means of potentiodynamic polarization testing in a 0.6 M NaCl aqueous solution. The results showed that the polarization resistance of the DLC:Al films increased from about 18 to 30.7 k(omega) though the corrosion potentials of the films shifted to more negative values with increased Al content in the films.     

PNaAMPS/PAAm水凝胶在NaCl水溶液中的力学与摩擦性能

通过改变离子强度的大小,研究了聚2-丙烯酰胺-2-甲基丙磺酸钠/聚丙烯酰胺(PNaAMPS/PAAm)这种双网络水凝胶的溶胀性能、力学性能和摩擦性能。由于离子会对水凝胶中高分子链的状态产生影响,研究发现随着离子强度的增大,溶胀率首先呈迅速下降的趋势,在0.2mol/kg之后溶胀率下降变缓。拉伸强度对离子强度变化不明显。撕裂时的断裂能随着离子强度的增大,首先呈下降的趋势,0.2mol/kg之后断裂能变化不大。压缩模量随着离子强度的提高而增大,在0.8mol/kg时达到最大值。摩擦行为中,在低离子强度时,其摩擦性能表现出一种"静摩擦"现象,而在高离子强度(临界值为0.8～1.0mol/kg)时,摩擦力显著增大,并且摩擦应力曲线呈现出典型的吸附模型性质。     

Spin-dependent electron transport analysis of benzyl alcohol and p-cresol based single molecular junction: a DFT-NEGF approach

Journal of Materials Science: Materials in Electronics - A single molecular junction can act as spintronic device when a molecule coupled with magnetic electrodes. Various analyses have been done...     

Current rectification in a single silicon nanowire p-n junction

Diodes within individual silicon nanowires were fabricated by doping them during growth to produce p-n junctions. Electron beam lithography was then employed to contact p- and n-doped ends of these nanowires. The current-voltage (I-V) measurements showed diode-like characteristics with a typical threshold voltage (Vt) of about 1 V and an ideality factor (n) of about 3.6 in the quasi-neutral region. The reverse bias I-V measurement showed an exponential behavior, indicating tunneling as the current leakage mechanism.