Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
Alkylation of nanotube salts prepared using either lithium, sodium, or potassium in liquid ammonia yields sidewall-functionalized nanotubes that are soluble in organic solvents. Atomic force microscopy and transmission electron microscopy studies of dodecylated SWNTs prepared from HiPco nanotubes and 1-iodododecane sh…
Red-shifting of the optical absorption spectra of aggregates of gold nanoparticles by dipole-dipole interactions is of considerable interest, both for theoretical reasons and because the phenomenon can be potentially exploited in various applications. A convenient and practical way to control the effect is to assemble…
In the present work, the molecular interactions of four amino acid compounds were simulated through the density functional theory (DFT) indexes to study their inhibitive properties. The prototype inhibitors previously synthesized 2-amino-N-decylacetamide (G), 2-amino-N-decylpropionamide (A), 2-amino-N-decyl-3-methylbu…
Four series of ternary compounds $R\mathrm{Pd}\mathrm{Sb}$ $(R=\mathrm{Y},\mathrm{Ho},\mathrm{Er})$, $R\mathrm{Pd}\mathrm{Bi}$ $(R=\mathrm{Nd},\mathrm{Y},\mathrm{Dy},\mathrm{Ho},\mathrm{Er})$, $R{\mathrm{Pd}}_{2}\mathrm{Sb}$ $(R=\mathrm{Y},\mathrm{Gd}\ensuremath{-}\mathrm{Er})$, and $R{\mathrm{Pd}}_{2}\mathrm{Bi}$ $(R…
l -Aspartic and l -glutamic acid-based novel N -propargylamides, ( S )-HC⋮CCH 2 NHCOCH(CH 2 COOcyclohexyl)NHCOO t -Bu ( 1 ) and ( S )-HC⋮CCH 2 NHCOCH(CH 2 CH 2 COOcyclohexyl)NHCOO t -Bu, were synthesized and polymerized using a rhodium catalyst. The corresponding polymers [poly( 1 ) and poly( 2 )] with moderate molecu…
We have implemented a technique for realistic electronic structure calculations of $f$-electron systems with moderately strong correlations. The technique is based on the dynamical mean-field theory with a perturbative treatment of effective quantum impurity problem in a spin-polarized version of the $T$ matrix combin…
An anionic surfactant interacts strongly with a polymer molecule to form a self-assembled structure, due to the attractive force of the hydrophobic association and electrostatic repulsion. In this crystallization medium, the surfactant-stabilized inorganic particles adsorbed on the polymer chains, as well as the bridg…
Biodegradable polycaprolactone and collagen nanofibers were produced by electrospinning, with fiber diameters of around 300-700nm and features similar to the extracellular matrix of natural tissue. Human coronary artery smooth muscle cells (SMCs) seeded on nanofibrous matrices tend to maintain normal phenotypic shape…
A straightforward method for loading hydrophobic materials into commercially available polymer nano- or microparticles is described. PMMA and PS nano/microparticles were swelled by an organic solvent with an ionic surfactant (SDS) to stabilize the particles in aqueous solution. FITC and Ru(dpp)3Cl2 were loaded into th…
Thiol-functionalized organosilica microspheres were synthesized via a two-step process: (1) acid-catalyzed hydrolysis and condensation of 3-mercaptopropyltrimethoxysilane (MPTMS), followed by (2) base-catalyzed condensation, which led to the rapid formation of emulsion droplets with a narrow size distribution. These d…
The first-principles density-functional method is used to study the recently high-pressure synthesized compound PtC. It is confirmed by our calculations that platinum carbide has a zinc-blende ground-state phase at zero pressure and that the rock-salt structure is a high-pressure phase. The theoretical transition pres…
We consider a model of a thin film elastically attached to a rigid substrate. In the case in which the film expands relative to the substrate and assuming certain non-linear elastic behavior of the film, expansion ridges may appear, in which the material has collapsed, and the density is higher. By studying numericall…
We report a detailed first-principles study of the structural, electronic and vibrational properties of the superconducting C$_{32}$ phase of the ternary alloy CaAl$_{2-x}$Si$_x$, both in the experimental range $0.6 \leq x \leq 1.2$, for which the alloy has been synthesised, and in the theoretical limits of high alumi…
Earthquake phenomenology exhibits a number of power law distributions including the Gutenberg-Richter frequency-size statistics and the Omori law for aftershock decay rates. In search for a basic model that renders correct predictions on long spatio-temporal scales, we discuss results associated with a heterogeneous f…
The electrical, magnetic, and structural properties of Sr$_3$(Ru$_{1-x}$Mn$_x$)$_2$O$_7$ (0 $\leq x \leq$ 0.2) are investigated. The parent compound Sr$_3$Ru$_2$O$_7$ is a paramagnetic metal, critically close to magnetic order. We have found that, with a Ru-site doping by only a few percent of Mn, the ground state is…
Adding surface-modified silica nanoparticles (NPs) to polymer blend films, we demonstrate that directed interfacial segregation of NPs stabilize either three-dimensional (3D) interpenetrating or 2D discrete structures at high and low volume fractions of NPs, respectively. A simple interfacial energy argument provides…
Multiwalled carbon nanotubes (MWCNTs) were used to convert radome materials to microwave absorbing materials. Dense MWCNT-fused silica composites were prepared by hot-pressing technique. The composites exhibit high complex permittivities at X-band frequencies, depending on the content of MWCNTs. The value of the loss…
The bandstructure of the zinc-blende phase of AlN, GaN, InN is calculated employing the exact-exchange (EXX) Kohn-Sham density-functional theory and a pseudopotential plane-wave approach. The cation semicore d electrons are treated both as valence and as core states. The EXX bandgaps of AlN and GaN (obtained with the…
The phase diagram of a charged colloidal system (Laponite) has been investigated by dynamic light scattering in a previously unexplored range of salt and clay concentrations. Specifically the clay weight and salt molar concentrations have been varied in the ranges Cw=0.004- 0.025, Cs=(1x 10^-3- 5x 10^-3) M respectivel…
A current-controlled negative differential resistance has been revealed in the I-V characteristics of single crystal La$_{2}$CuO$_{4+δ}$ in the low temperature region. The non-linear behavior of conductivity is accompanied by a transition from positive to negative magnetoresistance when the current is growing. Possibl…