Materials Literature
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We present a general method for calculating coherent electronic transport in quantum wires and tunnel junctions. It is based upon a real space high order finite difference representation of the single particle Hamiltonian and wave functions. Landauer's formula is used to express the conductance as a scattering problem…
Epoxy−amine networks were modified with well-defined inorganic building blocks polyhedral oligomeric silsesquioxanes (POSS). POSS molecules were incorporated in the organic−inorganic networks as dangling units of a network chain or as network junctions. Mono- or polyepoxide POSS monomers were used to prepare the two t…
V, Cr, Fe, Co, and Ni had been chosen to substitute partially for Ti in $\mathrm{Ti}{\mathrm{O}}_{2}$. By applying appropriate conditions, transition-metal-doped $\mathrm{Ti}{\mathrm{O}}_{2}$ thin films deposited on $\mathrm{La}\mathrm{Al}{\mathrm{O}}_{3}$ substrates by laser ablation which show a good crystallinity a…
A box of magnetic tricks: By using the anionic precursor [(Tp)Fe(CN)3]− (Tp−=hydrotris(pyrazolyl)borate), the title compound, which is a new face-centered-cubic cluster, has been synthesized (see structure; red Fe, turquoise Cu, orange B, gray C, blue N, dark red O). Magnetic studies show that it exhibits single-molec…
CO adsorption has been followed by IR spectroscopy on a Pt/CeO2 sample (Pt loading = 0.5%) treated under oxygen and vacuum or reduced by H2 and then evacuated at various temperatures. The sample contains highly dispersed Pt. Attention is paid to the presence of an unusual ν(CO) band at 1937 cm−1 on the reduced sample.…
Approximately eight avidin molecules are conjugated to each Ce/Tb-doped lanthanum phosphate nanoparticle (NP) through the formation of amide bonds (see scheme). This biofunctionalization process comprises modification of the LaPO4 NPs with 6-aminohexanoic acid (AHA) to confer colloidal stability, activation of the AHA…
Highly oriented, large area continuous composite nanofiber sheets made from surface-oxidized multiwalled carbon nanotubes (MWNTs) and polyacrylonitrile (PAN) were successfully developed using electrospinning. The preferred orientation of surface-oxidized MWNTs along the fiber axis was determined with transmission elec…
The growth kinetics of CdSe nanocrystals nucleated from TOPSe and cadmium oleate were investigated in octadecene, a non-coordinating solvent. The effects of temperature and the oleic acid concentration on the kinetics of both nucleation and particle growth were investigated. It was found that increasing oleic acid con…
Novel organic solar cells have been prepared using quaternary self-organization of porphyrin (donor) and fullerene (acceptor) units by clusterization with gold nanoparticles on nanostructured SnO2 electrodes. First, porphyrin-alkanethiolate monolayer-protected gold nanoparticles (H2PCnMPC: n is the number of methylene…
The iterative algorithm of Feldman for heat flow in layered structures is solved in cylindrical coordinates for surface heating and temperature measurement by Gaussian-shaped laser beams. This solution for the frequency-domain temperature response is then used to model the lock-in amplifier signals acquired in time-do…
From the steady-state creep rate data treated as a function of the applied and the measured effective stress and temperature, a phenomenological dependence of the internal stress on the applied stress and temperature was derived. The result determined the expected character of the applied stress- and temperature depen…
We present a Taylor-based theory of deformation of an aggregate of rigid-plastic crystals that allows for heterogeneity of grain deformation, and use it to model macroscopic subdivision of grains into mutually misoriented volumes, a process termed deformation banding. Each grain is assumed to accommodate the macroscop…
An explanation is put forward for the early findings of Zeller and Pohl (, Phys. Rev. B, 4, 2029) and, in particular, Stephens (, Phys. Rev. B, 13, 852), and then for the more comprehensive recent findings of Meißner and Strehlow () for the anomalous magnetic-field-dependent behaviour of the heat capacity of some mult…
Magnetic measurements of the quasi 1-D molecular magnet formed by the coordination polymer of purely organic α-nitronyl nitroxide radical and manganese(II) ions, namely [( R )-3MLNN−Mn(hfac) 2 ], have been carried out under pressure up to 10 kbar at low temperatures. The results obtained show that the temperature of 3…
We have carried out extensive equilibrium molecular dynamics simulations to study the structure and the interfacial properties in the liquid-vapor phase coexistence of partially miscible binary Lennard-Jones mixtures. By analyzing the structural properties as a function of the miscibility parameter, alpha, we found th…
The crystal structure of [d(CGCAAATTTGCG)]2 has been determined to 1.5 A resolution, representing the first high-resolution structure of this DNA fragment. The ion interactions are novel. A spermine molecule replaces a Mg2+ observed in analogous structures. Unlike lower-resolution structures, the minor groove is narro…
Spin probe water solutions were adsorbed onto differently treated micelle-templated silicas (MTS) of different pore sizes to analyze the hosting ability of the MTS surface toward different organic molecules. The MTS synthesis was performed at 388 K by self-assembly of inorganic silica and micelles of cetyltrimethylamm…
The effect of the grain-shape (‘morphological’) texture of a polycrystal on the mechanical elastic constants and diffraction (X-ray) stress factors is investigated. To this end, the Eshelby–Kröner grain interaction model originally devised for polycrystals consisting of spherical grains is extended to ellipsoidal grai…
The electron spin dynamics associated with the photoinduced intramolecular electron transfer (ET) in a covalently linked malonate-strapped zinc porphyrin−fullerene (ZnP−C 60 ) dyad with “parachute” geometry was studied by time-resolved electron paramagnetic resonance (TREPR) spectroscopy. Studies were carried out in w…
The present authors have recently reported the atomic structure of ⟨011⟩ type II twin in NiTi shape memory alloy. In the present research, the atomic structure of ⟨011⟩ type II twin is further studied by using HRTEM in combination with atomic image simulation. Based on the model of type II twin constructed, the simula…