Microscopic theory of single-electron tunneling through molecular-assembled metallic nanoparticles

We present a microscopic theory of single-electron tunneling through metallic nanoparticles connected to the electrodes through molecular bridges. It combines the theory of electron transport through molecular junctions with the description of the charging dynamics on the nanoparticles. We apply the theory to study single-electron tunneling through a gold nanoparticle connected to the gold electrodes through two representative benzene-based molecules. We calculate the background charge on the nanoparticle induced by the charge transfer between the nanoparticle and linker molecules, the capacitance and resistance of molecular junction using a first-principles based Non-Equilibrium Green's Function theory. We demonstrate the variety of transport characteristics that can be achieved through ``engineering'' of the metal-molecule interaction.Comment: To appear in Phys. Rev.

The Application of Cryogens in Liquid Fluid Energy Storage Systems

AbstractThis article describes the application of cryogens in liquid fluid energy storage systems and compares liquid fluid energy storage systems with conventional compressed air energy storage systems. The study focuses on the thermodynamic characteristics of different cryogens used in liquid fluid energy storage systems. It is found that liquid fluid energy storage systems have competitive factors like high energy density and no geographical limitation. A comparative analysis is conducted to present the advantages and disadvantages of different cryogens. The results show that liquid fluid energy storage systems have a promising future in large scale energy storage

Vertex functions for d-wave mesons in the light-front approach

While the light-front quark model (LFQM) is employed to calculate hadronic transition matrix elements, the vertex functions must be pre-determined. In this work we derive the vertex functions for all d-wave states in this model. Especially, since both of $^3D_1$ and $^3S_1$ are $1^{--}$ mesons, the Lorentz structures of their vertex functions are the same. Thus when one needs to study the processes where $^3D_1$ is involved, all the corresponding formulas for $^3S_1$ states can be directly applied, only the coefficient of the vertex function should be replaced by that for $^3D_1$. The results would be useful for studying the newly observed resonances which are supposed to be d-wave mesons and furthermore the possible 2S-1D mixing in $\psi'$ with the LFQM.Comment: 12 pages, 2 figures, some typos corrected and more discussions added. Accepted by EPJ

Hyperglycemia-induced inhibition of DJ-1 expression compromised the effectiveness of ischemic postconditioning cardioprotection in rats

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Experimental determination of the eutectic temperature in air of the CuO-TiO2 pseudobinary system

Eutectic temperature and composition in the CuO–TiO2 pseudobinary system have been experimentally determined in air by means differential thermal analysis (DTA), thermogravimetry (TG) and hot-stage microscopy (HSM). Samples of the new eutectic composition treated at different temperatures have been characterized by X-ray diffraction (XRD) and X-ray absorption near-edge structural spectroscopy (XANES) to identify phases and to determine the Cu valence state, respectively. The results show that the eutectic temperature in air is higher by 100 °C (∼1000 °C) for a Ti-richer composition (XTiO2=25 mol%) than the one calculated in the literature. The reduction of Cu2+ to Cu+ takes places at about 1030 °C. The existence of Cu2TiO3 and Cu3TiO4 has been confirmed by XRD in the temperature range between 1045 and 1200 °C

Mesoscopic scattering in the half-plane: squeezing conductance through a small hole

We model the 2-probe conductance of a quantum point contact (QPC), in linear response. If the QPC is highly non-adiabatic or near to scatterers in the open reservoir regions, then the usual distinction between leads and reservoirs breaks down and a technique based on scattering theory in the full two-dimensional half-plane is more appropriate. Therefore we relate conductance to the transmission cross section for incident plane waves. This is equivalent to the usual Landauer formula using a radial partial-wave basis. We derive the result that an arbitrarily small (tunneling) QPC can reach a p-wave channel conductance of 2e^2/h when coupled to a suitable reflector. If two or more resonances coincide the total conductance can even exceed this. This relates to recent mesoscopic experiments in open geometries. We also discuss reciprocity of conductance, and the possibility of its breakdown in a proposed QPC for atom waves.Comment: 8 pages, 3 figures, REVTeX. Revised version (shortened), accepted for publication in PR

A first-principles approach to electrical transport in atomic-scale nanostructures

We present a first-principles numerical implementation of Landauer formalism for electrical transport in nanostructures characterized down to the atomic level. The novelty and interest of our method lies essentially on two facts. First of all, it makes use of the versatile Gaussian98 code, which is widely used within the quantum chemistry community. Secondly, it incorporates the semi-infinite electrodes in a very generic and efficient way by means of Bethe lattices. We name this method the Gaussian Embedded Cluster Method (GECM). In order to make contact with other proposed implementations, we illustrate our technique by calculating the conductance in some well-studied systems such as metallic (Al and Au) nanocontacts and C-atom chains connected to metallic (Al and Au) electrodes. In the case of Al nanocontacts the conductance turns out to be quite dependent on the detailed atomic arrangement. On the contrary, the conductance in Au nanocontacts presents quite universal features. In the case of C chains, where the self-consistency guarantees the local charge transfer and the correct alignment of the molecular and electrode levels, we find that the conductance oscillates with the number of atoms in the chain regardless of the type of electrode. However, for short chains and Al electrodes the even-odd periodicity is reversed at equilibrium bond distances.Comment: 14 pages, two-column format, submitted to PR

Green function techniques in the treatment of quantum transport at the molecular scale

The theoretical investigation of charge (and spin) transport at nanometer length scales requires the use of advanced and powerful techniques able to deal with the dynamical properties of the relevant physical systems, to explicitly include out-of-equilibrium situations typical for electrical/heat transport as well as to take into account interaction effects in a systematic way. Equilibrium Green function techniques and their extension to non-equilibrium situations via the Keldysh formalism build one of the pillars of current state-of-the-art approaches to quantum transport which have been implemented in both model Hamiltonian formulations and first-principle methodologies. We offer a tutorial overview of the applications of Green functions to deal with some fundamental aspects of charge transport at the nanoscale, mainly focusing on applications to model Hamiltonian formulations.Comment: Tutorial review, LaTeX, 129 pages, 41 figures, 300 references, submitted to Springer series "Lecture Notes in Physics

Functional diversity of chemokines and chemokine receptors in response to viral infection of the central nervous system.

Encounters with neurotropic viruses result in varied outcomes ranging from encephalitis, paralytic poliomyelitis or other serious consequences to relatively benign infection. One of the principal factors that control the outcome of infection is the localized tissue response and subsequent immune response directed against the invading toxic agent. It is the role of the immune system to contain and control the spread of virus infection in the central nervous system (CNS), and paradoxically, this response may also be pathologic. Chemokines are potent proinflammatory molecules whose expression within virally infected tissues is often associated with protection and/or pathology which correlates with migration and accumulation of immune cells. Indeed, studies with a neurotropic murine coronavirus, mouse hepatitis virus (MHV), have provided important insight into the functional roles of chemokines and chemokine receptors in participating in various aspects of host defense as well as disease development within the CNS. This chapter will highlight recent discoveries that have provided insight into the diverse biologic roles of chemokines and their receptors in coordinating immune responses following viral infection of the CNS