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。
We review thermal properties of graphene and few-layer graphene, and discuss applications of these materials in thermal management of advanced electronics. The intrinsic thermal conductivity of graphene - among the highest of known materials - is dominated by phonons near the room temperature. The examples of thermal…
The Zintl concept is important in solid-state chemistry to explain how some compounds that combine electropositive and main group elements can be stable at formulas that at their simplest level do not make any sense. The electronegative elements in such compounds form a polyatomic electron-accepting molecule inside th…
The transformation pathway in high-pressure solid nitrogen from N2 molecular state to polymeric cg-N phase was investigated by means of ab initio molecular dynamics and metadynamics simulations. In our study, we observed a transformation mechanism starting from molecular Immm phase that initiated with formation of tra…
We report a gradual suppression of the two-dimensional electron gas (2DEG) at the LaAlO(3)/SrTiO(3) interface on substitution of chromium at the Al sites. The sheet carrier density at the interface (n□) drops monotonically from ∼2.2 × 10(14) cm(-2) to ∼2.5 × 10(13) cm(-2) on replacing ≈60% of the Al sites by Cr and th…
Time-resolved in situ, energy-dispersive X-ray absorption spectroscopy and mass spectrometry are used to correlate changes in the chemical state of alumina- and ceria-supported palladium nanoparticles with changes in activity and selectivity for methane oxidation. Specifically, modulation excitation spectroscopy exper…
Particle size and surface chemistry are potential determinants of silver nanoparticle (AgNP) respiratory toxicity that may also depend on the lung inflammatory state. We compared the effects of intratracheally-administered AgNPs (20 nm and 110 nm; polyvinylpyrrolidone (PVP) and citrate-capped; 0.1 mg/Kg) in Brown-Norw…
BACKGROUND: Organisms that need to perform multiple tasks face a fundamental tradeoff: no design can be optimal at all tasks at once. Recent theory based on Pareto optimality showed that such tradeoffs lead to a highly defined range of phenotypes, which lie in low-dimensional polyhedra in the space of traits. The vert…
Comparison between single- and the poly-crystalline structures provides essential information on the role of long-range translational symmetry and grain boundaries. In particular, by comparing single- and poly-crystalline transition metal oxides (TMOs), one can study intriguing physical phenomena such as electronic an…
Based on density functional theory, we have systematically studied the structural stability, mechanical properties and chemical bonding of the transition metal borides M3B4 (M=Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W) for the first time. All the present studied M3B4 have been demonstrated to be thermodynamically and mecha…
By means of first-principles calculations, the structural stability, mechanical properties and electronic structure of the newly synthesized incompressible Re2C, Re2N, Re3N and an analogous compound Re3C have been investigated. Our results agree well with the available experimental and theoretical data. The proposed R…
We study domain wall (DW) motion induced by spin waves (magnons) in the presence of Dzyaloshinskii-Moriya interaction (DMI). The DMI exerts a torque on the DW when spin waves pass through the DW, and this torque represents a linear momentum exchange between the spin wave and the DW. Unlike angular momentum exchange be…
Low loss, optical channel waveguides have been successfully produced by high repetition rate, femtosecond laser inscription in a Li-Zn fluoroborate glass (64.9B2O3 + 25Li2O + 10ZnF2 + 0.1Er2O3). High quality waveguides were produced at 500 kHz, 1 MHz and 2 MHz laser repetition rates, showing a refractive index contras…
status: Published
Carbon nanomaterials have been extensively researched in the past few years owing to their interesting properties. The massive research efforts resulted in the emergence of carbon dots, which belong to the carbon nanomaterials family. Carbon dots (C-dots) have garnered the attention of researchers mainly due to their…
The synthesis of silver nanoparticles (AgNPs) by microorganisms is an area attracting growing interest in nanobiotechnology, due to the applications of these nanoparticles in various products including cosmetics and biosensors, and in the biomedical, clinical, and bioimaging fields as well. Various microorganisms have…
The Hansen solubility parameters of a soy-castor oil-based polyol and a petroleum-based polyol are investigated to evaluate their miscibility for polyurethane blends. The two polyols were found to be miscible at different ratios over a temperature range from 25 to 90 °C. Blends with different ratios of these two polyo…
The thermal conductance of interfaces between metals and diamond, which has a comparatively high Debye temperature, is often greater than can be accounted for by two-phonon processes. The high pressures achievable in a diamond anvil cell (DAC) can significantly extend the metal phonon density of states to higher frequ…
We study the atomic scale microstructure of nonstoichiometric two-dimensional (2D) transition metal dichalcogenide MoSe2-x by employing aberration-corrected high-resolution transmission electron microscopy. We show that a Se-deficit in single layers of MoSe2 grown by molecular beam epitaxy gives rise to a dense networ…
We report the visible-light-promoted photocatalytic activity of a highly porous carbazolic organic framework, Cz-POF-1, toward three prototypic organic transformations: net reductive dehalogenation of phenacyl bromide and its derivatives, net oxidative hydroxylation of arylboronic acids, and redox-neutral α-alkylation…
A philosophy for defining what constitutes a virtual high-throughput screen is discussed, and the choices that influence decisions at each stage of the computational funnel are investigated, including an in-depth discussion of the generation of molecular libraries. Additionally, we provide advice on the storing, analy…