Materials Literature
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We investigate theoretically the fluid-crystal coexistence of solutions of globular charged nanoparticles such as proteins and inorganic colloids. The thermodynamic properties of the fluid phase are computed via the optimized Baxter model P. Prinsen and T. Odijk [J. Chem. Phys. 121, 6525 (2004)]. This is done specific…
A novel continuum mechanical model of long, flexible, hollow tubes is developed using the Cosserat theory of rods and used to study the mechanics of carbon nanotubes. By adding 'microstructure' to a Cosserat rod, analyses of tubes with deformable cross-sections are permitted. To facilitate the analysis, an approximati…
The structural, electronic, and magnetic properties of the oxygen-vacancy-ordered mixed-valence ${\mathrm{Sr}}_{4}{\mathrm{Fe}}_{4}{\mathrm{O}}_{11}$ phase have been investigated using spin-polarized electronic-structure total-energy calculations. The optimized structural parameters obtained from accurate total-energy…
Insertion of iron(II) into 6,11,16,21-tetraaryl-3-aza-m-benziporphyrin (N-confused pyriporphyrin, (PyPH)H) yielded the high-spin iron(II) complex, (PyPH)Fe(II)Br. The coordination of iron(II) to the perimeter nitrogen atom of (PyPH)Fe(II)Br resulted in the formation of the diiron species. Oxidation and oxygenation of…
Using a confocal micro-Raman system, spectra showing the splitting of optical transitions due to trigonal warping effect are presented for metallic single-wall carbon nanotubes (SWNT's). Our results indicate that the intensity variations between different optical transitions can be attributed primarily to the differen…
Abstract The synthesis of Ibuprofen/mesoporous silica has been achieved by a drug self‐templated one‐step co‐condensation process. The drug template of Ibuprofen, a co‐template of 3‐aminopropyltriethoxysilane (APTES), and tetraethoxysiliane (TEOS) were self‐assembled into Ibuprofen/mesoporous silica in a neutral aqueo…
Here, we report the transport properties of substituted polyphosphazenes membranes for separation and purification of CO 2 for in-situ resource utilization (ISRU) processes. This paper includes pure and mixed gas permeation data of gases for the methoxy ethoxy ethanol (MEE)-substituted polyphosphazenes. Significant di…
A mathematical model of the hot-pressing consolidation process for manufacturing a multi-layered oriented strand composite is developed and tested. Such a process model requires independent physical properties and user-specified structure for each layer of the mat. The model uses two-dimensional (slow variation is ass…
Deuterium desorption and reaction between deuterium and oxygen to water has been studied on ultrathin vanadium oxide structures prepared on Pd(111). The palladium sample was part of a permeation source, thus enabling the supply of atomic deuterium to the sample surface via the bulk. Different vanadium oxide films have…
Abstract Four polyethylene samples (PE) with different molecular weight distributions (MWD) were analyzed by crystallization analysis fractionation (Crystaf) at several cooling rates to investigate the effect of MWD and cooling rate on their Crystaf profiles. Using these results, we developed a mathematical model for…
ADVERTISEMENT RETURN TO ISSUEPREVCommentNEXTComment on "Examination of Spinel and Nonspinel Structural Models for γ-Al2O3 by DFT and Rietveld Refinement Simulations"Gianluca Paglia, C. E. Buckley, and Andrew L. RohlView Author Information Department of Physics and Astronomy, Michigan State University, East Lansing, Mi…
Polyethylene films grow on a flat silica surface modified by the bis(imino)pyridyl iron(II) catalyst during ethylene polymerization in toluene solvent. The resulting films show superhydrophobic properties. Advancing water contact angle as high as 169 degrees and sliding angles as low as 2 degrees are obtained on these…
Copper phthalocyanine (CuPc) on reconstructed rutile TiO(2) was studied with ultrahigh vacuum variable temperature scanning tunneling microscopy. On cross-linked TiO(2)(110)-(1 x 2), the CuPc molecules at low coverages sparsely lay flat at the link sites and tilted in troughs between [001] rows. Increase of the CuPc c…
Catena(dimethylammonium-bis(mu2-chloro)-chlorocuprate), (CH3)2NH2CuCl3, forms chains of Cu2Cl6(2-) bifold dimers linked along the structural chain axis by terminal chlorides forming long semicoordinate bonds to adjacent dimers. The structural chains are separated by dimethylammonium ions that hydrogen bond to chloride…
We report the results from a study of lanthanum doping in the ${\mathrm{Sr}}_{2}{\mathrm{FeMoO}}_{6}$ half-metallic double perovskites. The thermoelectric power systematically increases with electron doping, and the temperature dependence is remarkably similar to that reported in the superconducting cuprates. This sug…
Crystalline form I (monoclinic) and form II (triclinic) of ferrocene dicarboxylic acid [Fe(η 5 -C 5 H 4 COOH) 2 ] have been employed in solid−gas reactions at room temperature with the gaseous bases NH 3, NH 2 (CH 3 ), and NH(CH 3 ) 2 . The two crystal forms behave in exactly the same way in the solid−gas reaction, ge…
We calculated the optical absorption and luminescence energies of electrons trapped at oxygen vacancies in CaO using a consistent embedded cluster method which accounts for the long-range polarization effects and partial covalence of CaO. Optical absorption and luminescence energies of neutral (F center) and positivel…
The diffusion reaction of TBA2Cu(II)Cl4 (TBA = tetrabutylammonium) and a N-containing organic donor, BP-TTF [=bis(pyrazino)tetrathiafulvalene], yielded a 3-D supramolecular Cu complex, [CuCl2(BP-TTF)] (1). The magnetic measurement of 1 exhibits an antiferromagnetic interaction by fitting a Bonner-Fisher model from 2 t…
A Timoshenko beam model is presented in this paper for the buckling of axially loaded multiwalled carbon nanotubes surrounded by an elastic medium. Unlike the Euler beam model, the Timoshenko beam model allows for the effect of transverse shear deformation which becomes significant for carbon nanotubes with small leng…
We investigate systematically the magnetic exchange interactions and related properties of $\mathrm{NiO}$ under high pressure based on first-principles calculations. Accurate magnetic exchange parameters are obtained using $\mathrm{GGA}+\mathrm{U}$. The pressure dependence of the superexchange constants are found to b…