Rate of heat transfer between a probing body and a sample due to electromagnetic fluctuations

Rate of energy transfer between a small body and a sample by means of the fluctuating electromagnetic fields is studied analytically and numerically. The obtained formula for the rate of heat liberation is valid for the case of arbitrary shapes of interacting bodies. A nonmonotonic behavior of the rate of heat transfer due to the temperature dependence of dielectric function is shown for the first time. Shifts of the Froehlich and Coulomb peaks at the curve of spectral power density of the rate of heat transfer are studied using various models of the local and nonlocal response functions.     

A closed-form solution in a dynamical system related to Bianchi IX

The Bianchi IX cosmological model in vacuum can be represented by several six-dimensional dynamical systems. In one of them we present a new closed form solution expressed by a third Painlevé function.     

Efficient Pyrazolo[5,4-f]quinoxaline Functionalized Os(II) Based Emitter with an Electroluminescence Peak Maximum at 811 nm

Upon fusing the pyrazinyl pyrazole entity in giving pyrazolo[3,4-f]quinoxaline chelate, the corresponding Os(II) based NIR emitter exhibited “invisible” and efficient electroluminescence with a peak maximum at 811 nm. A maximum external quantum efficiency of 0.97 % and a suppressed efficiency roll-off till a current density of 300 mA cm⁻² was also exhibited.     

Hydrothermal Syntheses and Crystal Structures of Two Metal-organic Complexes with 2,3-Pyridinedicarboxylic Acid and 2-Methyl-dipyrido[3,2-f：2＇,3＇-h]quinoxaline Ligands

Two unusual one-dimensional(1-D) compounds,viz.[Co(Medpq)(QUI)·H2O]2n· 2.4nH2O 1 and [Cd(Medpq)(QUI)·H2O]n·nH2O 2,were synthesized by the combination of two different metallic salts and organic ligands,namely 2,3-pyridinedicarboxylic acid(H2QUI) and 2-methyldipyrido[3,2-f:2',3'-h]quinoxaline(Medpq) ligand.The compounds were characterized by elemental analyses,TG,fluorescent emission and single-crystal X-ray diffraction analyses.     

Quinoprotein methanol dehydrogenase: a molecular dynamics study and comparison with crystal structure

One of the mechanisms proposed for methanol oxidation by methanol dehydrogenase (MDH) involves a hydride transfer to the quinone carbonyl carbon C5 of 2,7,9-tricarboxy-1H-pyrrolo[2,3-f]-quinoline-4,5-dione (PQQ), initiated by abstraction of a proton from the substrate methanol by a general base. Molecular dynamics studies are performed on MDH-bound to the C5 reduced intermediate (C5RI) of PQQ, for 3 ns. The structural features of the MD and X-ray structures are compared. An interesting feature observed during simulations is the strong hydrogen bond between oxyanion O5 of C5RI and Asp297-CO₂H in the active site. Asp297-CO₂⁻ is suggested to be the general-base catalyst for removing the hydroxyl proton of methanol in concert with the hydride ion transfer from the putative methoxide to C5 carbonyl of PQQ. The formed Asp297-CO₂H acts as the required proton source for the immediate product. Anticorreleated motions observed in the MD structure are not across the active site to influence the reaction mechanism of MDH.     

Structural dependence of exciton in carbon nanotubes

The binding energies and sizes of excitons, and energy splitting of the bright-dark excitons in single-walled carbon nanotubes have been calculated using the nonorthogonal tight-binding model, supplemented by the long-range Coulomb interaction. It is found that the binding energies and the sizes of excitons not only depend on tube's diameter d, but also its chirality. However, the splitting of the bright-dark excitons mostly depends on 1/d². Our obtained results show that the curvature effect is very important for the exciton excitations in the SWNTs, especially in the smaller diameter ones.     

Absorption spectra of germanium nanocrystals

Absorption spectra of hydrogenated germanium nanocrystals are calculated in real space using ab initio pseudopotentials constructed within the local density approximation. Nanocrystals with over 800 atoms are considered. We find the calculated spectra are essentially bulk-like for systems with ∼250 atoms or more. The energy positions for the E₁ and E₂ reflectivity peaks are blue-shifted with respect to their bulk values owing to quantum confinement. Comparisons with available experimental data reveal good agreement for the energies of the E₁ peak, whereas the energy position of the E₂ peak is underestimated by a constant shift, which is independent of the nanocrystal size. This shift is consistent with local density calculations for bulk germanium.     

Synthesis and optical properties for crystals of a novel organic semiconductor [ Ni(Cl) 2{(Ph 2P) 2CHC(R 1R 2)NHNH 2}]

In this investigation, the synthesis process of the apyrazole derivative for diphenylphosphino-methane hydrazine complexes [ Ni(Cl)₂{(Ph₂P)₂CHC(R₁R₂)NHNH₂}] was reported, and the obtained crystals were analyzed by X-ray diffraction. As a result of the growth process, a set of complexes were formed. The structures of these complexes are discussed on the basis of Elemental analysis (EA), IR, ¹H-NMR, ³¹P-NMR spectroscopic data and FAB mass spectra. The compound under investigation shows typical semiconductor behavior as a result of delocalization of the π-electrons in the structure. The reflectance and transmittance spectra for the crystals were measured and analyzed in the incident photon energy range 1.29 to 3.93 eV and in the temperature range 77 to 300 K. The optical study revealed that the optical transition is direct allowed. Below the absorption edge, the refractive index as a function of wavelength was determined in the low energy region of the used incident photon energy range. From the refractive index-wavelength variations, the oscillator and dispersion energies of the refractive index for the obtained crystals were determined. The static refractive index and static dielectric constant were evaluated.     

Zeeman splitting of interacting two-dimensional electrons with two effective masses

We have realized an AlAs two-dimensional electron system in which electrons occupy conduction-band valleys with different Fermi contours and effective masses. In the quantum Hall regime, we observe both resistivity spikes and persistent gaps at crossings between the Landau levels originating from these two valleys. From the positions of the spikes in tilted magnetic fields and measurements of the energy gaps away from the crossings, we find that, after occupation of the minority valley, the spin susceptibility drops rapidly, and the electrons possess a single interaction-enhanced g-factor, despite the dissimilarity of the two occupied valleys.