Materials Literature
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We present significant electrical conductivity responses of the pelletized as-prepared and oxidized (ox-) single-wall carbon nanohorns (SWNHs) on adsorption of CO(2) and O(2). The morphological and pore structures of both pelletized SWNHs were examined by transmission electron microscopy (TEM) and nitrogen adsorption…
We demonstrate spin injection and detection in single wall carbon nanotubes using a four-terminal nonlocal geometry. This measurement geometry completely separates the charge and spin circuits. Hence all spurious magnetoresistance effects are eliminated and the measured signal is due to spin accumulation only. Combini…
Sulfatases are a highly conserved family of enzymes found in all three domains of life. To be active, sulfatases undergo a unique post-translational modification leading to the conversion of either a critical cysteine ("Cys-type" sulfatases) or a serine ("Ser-type" sulfatases) into a Calpha-formylglycine (FGly). This…
We report variable temperature X-band EPR spectroscopic data for the cation radical states of meso-to-meso ethyne-bridged (porphinato)zinc(II) (PZnn) oligomers. These [PZn2-PZn7]+ species span an average 18-75 A length scale and display peak-to-peak EPR line widths (DeltaBp-p) that diminish with conjugation length. An…
The Zr doping in CeO(2) may change the reduction properties and therefore the redox properties of CeO(2). Using first-principles density functional theory with the inclusion of on-site Coulomb interaction for a 96-atom supercell, these effects are studied by comparing the differences in atomic structures, electronic s…
We present a study of the isotropic-nematic interface in a system of hard spherocylinders. First we compare results from Monte Carlo simulations and Onsager density functional theory for the interfacial profiles of the orientational order parameter and the density. Those interfacial properties that are not affected by…
The Flory−Huggins interaction parameter, χ, is often used in the literature to describe the binary interactions of polymer blends, yet to what extent does this widespread analysis yield valuable thermodynamic insight? In this work we think critically about χ and creatively about alternatives. Making use of a simple la…
The synthesis and characterization of the clusters Au13[PPh3]4[S(CH2)11CH3]2Cl2 (1) and Au13[PPh3]4[S(CH2)11CH3]4 (2) are described. These mixed-ligand, sub-nanometer clusters, prepared via exchange of dodecanethiol onto phosphine-halide gold clusters, show enhanced stability relative to the parent. The characterizati…
We show that the 18-electron rule can be used to design new organometallic systems that can store hydrogen with large gravimetric density. In particular, Ti containing organic molecules such as C(4)H(4), C(5)H(5), and C(8)H(8) can store up to 9 wt % hydrogen, which meets the Department of Energy target for the year 20…
We consider the equilibrium flotation of a two-dimensional cylinder and a sphere at an interface between two fluids. We give conditions on the density and radius of these objects for them to be able to float at the interface and discuss the role played by the contact angle in determining these conditions. For cylinder…
We investigated the aspect ratio (thickness/width) dependence of the threshold current density required for the current-driven domain wall (DW) motion for the Ni81Fe19 nanowires. It has been shown theoretically that the threshold current density is proportional to the product of the hard-axis magnetic anisotropy Kperp…
A series of disc-shaped molecules were prepared by the condensation of 1,2-diamines with 2,3,6,7-tetrakis(hexyloxy)phenanthrene-9,10-dione to investigate the relationship between changes in molecular structure and the self-assembly of columnar liquid crystalline phases. A comparison of compounds with different core si…
The nature of the magnetic transition of the half-filled triangular antiferromagnet Ag$_{2}$NiO$_2$ with $T_{\rm N}$=56K was studied with positive muon-spin-rotation and relaxation ($μ^+$SR) spectroscopy. Zero field $μ^+$SR measurements indicate the existence of a static internal magnetic field at temperatures below $…
We present a reduced-dimension, ballistic deposition, Monte Carlo particle packing algorithm and discuss its application to the analysis of the microstructure of hard-sphere systems with broad particle size distributions. We extend our earlier approach (the ``central string'' algorithm) to a reduced-dimension, quasi-3…
Surfaces of ${\mathrm{In}}_{2}{\mathrm{O}}_{3}$ and tin-doped ${\mathrm{In}}_{2}{\mathrm{O}}_{3}$ (ITO) were investigated using photoelectron spectroscopy. Parts of the measurements were carried out directly after thin film preparation by magnetron sputtering without breaking vacuum. In addition samples were measured…
Aberration-corrected Z-contrast scanning transmission electron microscopy of core/shell nanocrystals shows clear correlations between structure and quantum efficiency. Uniform shell coverage is obtained only for a graded CdS/ZnS shell material and is found to be critical to achieving near 100% quantum yield. The subla…
Systematic variation of microscale structures has been employed to create a rough superhydrophobic surface with a contact angle gradient. Droplets are propelled down these gradients, overcoming contact angle hysteresis using energy supplied by mechanical vibration. The rough hydrophobic surfaces have been designed to…
We report on a novel extension of the recently introduced phase-field crystal (PFC) method [Elder, Phys. Rev. Lett. 88, 245701 (2002)10.1103/PhysRevLett.88.245701], which incorporates elastic interactions as well as crystal plasticity and diffusive dynamics. In our model, elastic interactions are mediated through wave…
Abstract NIR‐FT Raman and FT‐IR spectra of the crystallized 2,6‐bis ( p ‐ N , N ‐dimethyl benzylidene)cyclohexanone (C 24 H 28 N 2 O) have been recorded in the region 3200–500 and 4000–400 cm −1 , respectively. The spectral interpretation has been done following full structure optimization and vibrational wavenumber c…
The ν6 + ν12 and ν9 + ν12(E) vibrational combination bands of disilane (Si2H6) have been measured at high resolution and analysed. A few K-branches of the hot band associated with ν9 + ν12(E), originated from the torsional state v4 = 1, have also been observed and analysed. These observations give information on the e…