A sequential formula for electronic coupling in long range bridge-assisted electron transfer: Formulation of theory and application to alkanethiol monolayers

A recursion relation is formulated for the Green's function for calculating the effective electron coupling in bridge-assisted electronic transfer systems, within the framework of the tight-binding Hamiltonian. The recursion expression relates the Green's function of a chain bridge to that of the bridge that is one unit less. It is applicable regardless of the number of orbitals per unit. This method is applied to the system of a ferrocenylcarboxy-terminated alkanethiol on the Au(111) surface. At larger numbers of bridge units, the effective coupling strength shows an exponential decay as the number of methylene(–CH2–) units increases. This sequential formalism shows numerical stability even for a very long chain bridge and, since it uses only small matrices, requires much less computer time for the calculation. Identical bridge units are not a requirement, and so the method can be applied to more complicated systems

Linear response in theory of electron transfer reactions as an alternative to the molecular harmonic oscillator model

The effect of solvent fluctuations on the rate of electron transfer reactions is considered using linear response theory and a second-order cumulant expansion. An expression is obtained for the rate constant in terms of the dielectric response function of the solvent. It is shown thereby that this expression, which is usually derived using a molecular harmonic oscillator ("spin-boson") model, is valid not only for approximately harmonic systems such as solids but also for strongly molecularly anharmonic systems such as polar solvents. The derivation is a relatively simple alternative to one based on quantum field theoretic techniques. The effect of system inhomogeneity due to the presence of the solute molecule is also now included. An expression is given generalizing to frequency space and quantum mechanically the analogue of an electrostatic result relating the reorganization free energy to the free energy difference of two hypothetical systems [J. Chem. Phys. 39, 1734 (1963)]. The latter expression has been useful in adapting specific electrostatic models in the literature to electron transfer problems, and the present extension can be expected to have a similar utility

Atomic Scale Sliding and Rolling of Carbon Nanotubes

A carbon nanotube is an ideal object for understanding the atomic scale aspects of interface interaction and friction. Using molecular statics and dynamics methods different types of motion of nanotubes on a graphite surface are investigated. We found that each nanotube has unique equilibrium orientations with sharp potential energy minima. This leads to atomic scale locking of the nanotube. The effective contact area and the total interaction energy scale with the square root of the radius. Sliding and rolling of nanotubes have different characters. The potential energy barriers for sliding nanotubes are higher than that for perfect rolling. When the nanotube is pushed, we observe a combination of atomic scale spinning and sliding motion. The result is rolling with the friction force comparable to sliding.Comment: 4 pages (two column) 6 figures - one ep

The Nonlinear Permittivity Including Non-Abelian Self-interaction of Plasmons in Quark-Gluon Plasma

By decomposing the distribution functions and color field to regular and fluctuation parts, the solution of the semi-classical kinetic equations of quark-gluon plasma is analyzed. Through expanding the kinetic equations of the fluctuation parts to third order, the nonlinear permittivity including the self-interaction of gauge field is obtained and a rough numerical estimate is given out for the important \vk =0 modes of the pure gluon plasma.Comment: 7 pages, shortened version accepted by Chin.Phys.Let

In situ synthesis of size-controlled, stable silver nanoparticles within ultrashort peptide hydrogels and their anti-bacterial properties

We have developed a silver-releasing biomaterial with promising potential for wound healing applications. The material is made of ultrashort peptides which can self-assemble in water to form hydrogels. Silver nanoparticles (Ag NPs) were synthesized in situ within the biomaterial, using only UV irradiation and no additional chemical reducing agents. The synthetic strategy allows precise control of the nanoparticle size, with the network of peptide fibers preventing aggregation of Ag NPs. The biomaterial shows increased mechanical strength compared to the hydrogel control. We observed a sustained release of Ag NPs over a period of 14 days. This is a crucial prerequisite for effective anti-bacterial therapy. The ability to inhibit bacterial growth was tested using different bacterial strains, namely gram-negative Escherichia coli and Pseudomonas aeruginosa and gram-positive Staphylococcus aureus. Inhibition of bacterial growth was observed for all strains. The best results were obtained for Pseudomonas aeruginosa which is known for exhibiting multidrug resistance. Biocompatibility studies on HDFa cells, using Ag NP-containing hydrogels, did not show any significant influence on cell viability. We propose this silver-releasing hydrogel as an excellent biomaterial with great potential for applications in wound healing due to its low silver content, sustained silver nanoparticle release and biocompatibility

The X-shooter Spectral Library (XSL): I. DR1. Near-ultraviolet through optical spectra from the first year of the survey

We present the first release of XSL, the X-Shooter Spectral Library. This release contains 237 stars spanning the wavelengths 3000--10200 \AA\ observed at a resolving power $R \equiv \lambda / \Delta\lambda \sim 10000$. The spectra were obtained at ESO's 8-m Very Large Telescope (VLT). The sample contains O -- M, long-period variable (LPV), C and S stars. The spectra are flux-calibrated and telluric-corrected. We describe a new technique for the telluric correction. The wavelength coverage, spectral resolution and spectral type of this library make it well suited to stellar population synthesis of galaxies and clusters, kinematical investigation of stellar systems and studying the physics of cool stars.Comment: 41 pages, 38 figures, 5 tables. Accepted for publication in A&A. Webpage: http://xsl.u-strasbg.fr

Power-law cosmological solution derived from DGP brane with a brane tachyon field

By studying a tachyon field on the DGP brane model, in order to embed the 4D standard Friedmann equation with a brane tachyon field in 5D bulk, the metric of the 5D spacetime is presented. Then, adopting the inverse square potential of tachyon field, we obtain an expanding universe with power-law on the brane and an exact 5D solution.Comment: 8 pages, 1 figure, accepted by IJMP

The d* dibaryon in the extended quark-delocalization, color-screening model

The quark-delocalization, color-screening model, extended by inclusion of a one-pion-exchange (OPE) tail, is applied to the study of the deuteron and the d* dibaryon. The results show that the properties of the deuteron (an extended object) are well reproduced, greatly improving the agreement with experimental data as compared to our previous study (without OPE). At the same time, the mass and decay width of the d* (a compact object) are, as expected, not altered significantly.Comment: 9 pages, no figures, LaTeX, subm. to Phys. Rev.

Contamination of Cluster Radio Sources in the Measurement of the Thermal Sunyaev-Zel'dovich Angular Power Spectrum

We present a quantitative estimate of the confusion of cluster radio halos and galaxies in the measurement of the angular power spectrum of the thermal Sunyaev-Zel'dovich (SZ) effect. To achieve the goal, we use a purely analytic approach to both radio sources and dark matter of clusters by incorporating empirical models and observational facts together with some theoretical considerations. It is shown that the correction of cluster radio halos and galaxies to the measurement of the thermal SZ angular power spectrum is no more than 20% at $l>2000$ for observing frequencies $\nu>30$ GHz. This eliminates the concern that the SZ measurement may be seriously contaminated by the existence of cluster radio sources.Comment: 15 pages, 3 figures, accepted for publication in Ap