Materials Literature
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The total electronic energy and nucleus-independent chemical shift (NICS) of 95 isomers of N-confused porphyrin (NCP: normal porphyrin (N(0)CP), singly N-confused porphyrin (N(1)CP), doubly N-confused porphyrin (N(2)CP), triply N-confused porphyrin (N(3)CP), and fully N-confused porphyrin (N(4)CP)) have been calculate…
The structure and the electronic properties of a sodium tetrasilicate $({\mathrm{Na}}_{2}{\mathrm{Si}}_{4}{\mathrm{O}}_{9})$ glass were studied by combined Car-Parrinello and classical molecular dynamics simulations. The glass sample was prepared using a method recently employed in a study of a silica glass [M. Benoit…
An inherent structure analysis of viscosity is developed based on results of nonequilibrium molecular dynamics simulations. The viscosity is separated into a "structural" contribution associated with the energy minima that the system visits, and a "vibrational" contribution associated with displacements within the ene…
Periodic large mesopore organosilicas have been obtained for the first time using bridged silsesquioxane (RO)3SiCH2CH2Si(OR)3 precursors and triblock copolymers as structure-directing species in acid media.
Resistance measurements have been performed to investigate the superconducting state for an organic superconductor $(\mathrm{TMET}\ensuremath{-}\mathrm{STF}{)}_{2}{\mathrm{BF}}_{4}$ with ${T}_{c}=4.1\mathrm{K}.$ The upper critical magnetic fields parallel and perpendicular to the conduction plane are determined and di…
Abstract Several batches of chars were prepared from palm shell by carbonization in a flow of nitrogen using a fixed‐bed reactor. Palm shell was carbonized at temperatures of 500, 600, 700, 800 and 900 °C for 1 h to study the effects of carbonization temperature on char yield and its porosity. The prepared chars were…
A theory of the anisotropic superexchange and low-energy spin excitations in a Mott insulator with ${t}_{2g}$ orbital degeneracy is presented. We observe that the spin-orbit coupling induces frustrating Ising-like anisotropy terms in the spin Hamiltonian, which invalidate noninteracting spin-wave theory. The frustrati…
The novel complex trans-Cu(hfac)2(TTF-py)2 (hfac = hexafluoroacetylacetonate; TTF-py = 4-(2-tetrathiafulvalenyl-ethenyl)pyridine) in which the paramagnetic transition metal and the organic donor are covalently linked through a conjugated bridge is synthesized and characterized aiming at a new approach for the occurren…
We present an analysis of the vibrational dynamics of metal vicinal surfaces using the embedded atom method to describe the interaction potential and both a real space Green's function method and a slab method to calculate the phonons. We report two main general characteristics : a global shift of the surface vibratio…
We study the recently discovered 117-Kelvin superconducting system C60/CHBr3 of the field-effect transistor and propose a possibility that the intercalation molecule CHBr3 plays a role of an electric capacitor in the C60 fullerene superconductor, which contrasts rather with an expectation that the intercalation molecu…
We consider the competition between superconducting, charge ordered, and metallic phases in layered molecular crystals with the $\ensuremath{\theta}$ and ${\ensuremath{\beta}}^{\ensuremath{'}\ensuremath{'}}$ structures. Applying slave-boson theory to the relevant extended Hubbard model, we show that the superconductiv…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTOcta(aminophenyl)silsesquioxane as a Nanoconstruction SiteRyo Tamaki, Yasuyuki Tanaka, Michael Z. Asuncion, Jiwon Choi, and Richard M. LaineView Author Information Department of Materials Science and Engineering Macromolecular Science and Engineering Center University…
Hydrotalcite-like anionic clays (HTs; or layered double hydroxides, LDHs) can be used as precursors to mixed oxides, but their catalytic potential reaches much further. This review demonstrates that HTs can be successfully applied in a broad spectrum of organic reactions, with advantages such as improved activity, sel…
During the last few decades, concerns have grown on the negative effects that diesel particulate matter has on health. Because of this, particulate emissions were subjected to restrictions and various emission-reduction technologies were developed. It is ironic that some of these technologies led to reductions in the…
Abstract Surface‐enhanced Raman scattering (SERS) of xanthopterin adsorbed on colloidal silver was measured and the Raman spectrum calculated by the density functional theory method was also obtained. Xanthopterin can be detected down to 5 × 10 −9 M and the enhancement of the scattering intensity is at least 10 5 ‐fol…
At present, band pass filtered, very high-gain photomultiplier tube (PMT) imaging sensors are employed to detect and image hot, UV emitting objects within the solar blind UV spectral region for wavelengths < 289 nm, either within or through the earth's atmosphere. In this paper we will reviews and summarize the str…
Nanoparticles of silver and nickel were grown in thermally evaporated fatty acid (stearic acid) films by immersion of the film sequentially in solutions containing Ag+ ions and Ni2+ ions. Attractive electrostatic interaction between the metal cations and the carboxylate ions in the fatty acid film leads to entrapment…
In magnetic fields applied parallel to the anisotropy axis, the relaxation of the magnetization of Mn(12)-acetate measured for different sweep rates collapses onto a single scaled curve. The form of the scaling implies that the dominant symmetry-breaking process responsible for tunneling is a locally varying second-or…
Electromigration tests at temperatures between 340 and 400 °C and current densities between 1.0 and 3.0 MA/cm2 have been performed to determine the temperature dependence of the critical length effect in 0.5-μm-wide Cu/oxide dual-damascene interconnects with 0.1 μm silicon nitride (SiNx) passivation. A focused-ion-bea…
We have analyzed cascades of secondary electrons in diamond and amorphous carbon generated by the thermalization of a single Auger electron. The elastic electron mean free path was calculated as a function of impact energy in the muffin-tin potential approximation. The inelastic scattering cross section and the energy…