Materials Literature
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We demonstrated for the first time by ab initio density functional calculation and molecular dynamics simulation that C 0.5 (BN) 0.5 armchair single-walled nanotubes (NT) are gapless semiconductors and can be spontaneously formed via the hybrid connection of graphene/BN Nanoribbons (GNR/BNNR) at room temperature. The…
The photochemical behavior of CdSe quantum dots anchored to different surfaces was probed through their deposition on glass, SiO2, and TiO2 films. Following visible light irradiation under ambient conditions, CdSe quantum dots deposited on semiconducting TiO2 surface degraded, where no such degradation was observed wh…
Dissipative particle dynamics (DPD) as a model of fluid particles suffers from the problem that it has no physical scale associated with the particles. Therefore, a DPD simulation requires an ambiguous fine-tuning of the model parameters with the physical parameters. A corrected version of DPD that does not suffer fro…
A change in the effective permittivity of a ferroelectric film in the paraelectric phase under the action of a strong high-frequency field (nonequilibrium soft mode heating) is considered. It is shown that this effect must be most clearly pronounced far from the resonance (ω_0 << ω_sm), rather than for the external fi…
We present a tight-binding potential for transition metals, carbon, and transition-metal carbides, which has been optimized through a systematic fitting procedure. A minimal basis, including the $s$ and $p$ electrons of carbon and the $d$ electrons of the transition metal, is used to obtain a transferable tight-bindin…
We have determined the magnetic structure of the low-temperature incommensurate phase of multiferroic ${\text{YMn}}_{2}{\text{O}}_{5}$ using single-crystal neutron diffraction. By employing corepresentation analysis, we have ensured full compliance with both symmetry and physical constraints, so that the electrical po…
We report on the realization and top-gating of a two-dimensional electron system in a nuclear spin free environment using 28Si and 70Ge source material in molecular beam epitaxy. Electron spin decoherence is expected to be minimized in nuclear spin-free materials, making them promising hosts for solid-state based quan…
This work is devoted to experimental study of influence of superconductivity (S) on ferromagnetism (FM) (inverse proximity effects) with the help of Polarized Neutron Reflectivity. Combining meausurements of specular and diffuse intensities it is possible to obtain full picture of magnetization change in S/FM layered…
The structural relaxation of amorphous materials is described as arising from the superposition of elementary processes with varying activation energies. We show that it is possible to obtain the kinetic parameters of these processes from differential scanning calorimetry experiments. The transformation rate is predic…
The emission spectral pattern of a charged exciton in a semiconductor quantum dot is composed of a quadruplet of linearly polarized lines in the presence of a magnetic field oriented perpendicularly to the direction of the photon momentum. By measuring the Zeeman splittings, we obtain the effective g factors of the ca…
Silica nanoparticles with controlled diameter (approximately 70-300 nm) and with uniform pores of 20 nm are prepared by a low temperature (10 degrees C) synthetic method in the presence of a dual surfactant system. While a triblock copolymer (Pluronic F127) acts as supramolecular template and coassembles with hydrolyz…
Electromagnetic interference (EMI) shielding effectiveness (SE) of multi-walled carbon nanotubes-polymethyl methacrylate (MWCNT-PMMA) composites prepared by two different techniques was measured. EMI SE up to 40 dB in the frequency range 8.2-12.4 GHz (X-band) was achieved by stacking seven layers of 0.3-mm thick MWCNT…
Epoxidation made easy: Subnanometer gold clusters immobilized on amorphous alumina result in a highly active and selective catalyst for propene epoxidation. The highest selectivity is found for gas mixtures involving oxygen and water, thus avoiding the use of hydrogen. Ab initio DFT calculations are used to identify k…
A detailed investigation using variable temperature powder neutron diffraction demonstrates that ${\mathrm{BiFeO}}_{3}$ undergoes a phase transition from the ferroelectric $\ensuremath{\alpha}$ phase (rhombohedral, $R3c$) to a paraelectric $\ensuremath{\beta}$ phase (orthorhombic, $Pbnm$) between $820\text{ }\ifmmode^…
Density-functional theory computations on a cluster Au 144 (SR) 60 with an icosahedral Au 114 core with 30 RS−Au−SR units protecting its surface yield an excellent fit of the structure factor to the experimental X-ray scattering structure factor measured earlier for 29 kDa thiolate-protected gold clusters. This cluste…
In this study, activated carbon (AC)-Fe 3 O 4 nanoparticles asymmetric supercapacitor cells have been assembled and characterized in 6 M KOH aqueous electrolyte for the first time. The nanostructure Fe 3 O 4 was prepared by the microwave method. It only cost several minutes to prepare magnetite nanoparticles with aver…
Transport through potential barriers in graphene is investigated using a set of metallic gates capacitively coupled to graphene to modulate the potential landscape. When a gate-induced potential step is steep enough, disorder becomes less important and the resistance across the step is in quantitative agreement with p…
Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” opt…
The book contains 13 papers from the symposium on carbon dioxide reduction metallurgy 2009 and 14 papers from the symposium TMS 2009 annual and exhibition: Energy conservation in metals extraction and materials processing II. Papers include: Recent developments in carbon dioxide capture materials and process for energ…
Abstract G3(MP2)//B3LYP calculations have been carried out on trans ‐ and cis ‐decalin, and their mono‐, di‐, tri‐, and tetraoxa‐analogs. The main purpose of the work was to obtain enthalpies of formation for these compounds, and to study the relative stabilities of the cis – trans and positional isomers of the variou…