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 carry out generalized-ensemble molecular dynamics simulations of the formation of small helium (He) clusters in bulk tungsten (W), a process of practical relevance for fusion energy production. We calculate formation free energies of small helium clusters at temperatures up to the melting point of W, encompassing t…
It was recently shown that nitrogen-doped graphene (NG) can exhibit both p- and n-type characters depending on the C-N bonding nature, which represents a significant bottleneck for the development of graphene-based electronics. Based on first-principles calculations, we herein scrutinize the correlations between the a…
The simultaneous combination of scanning probe methods (tunneling and force microscopies, STM and AFM) is a unique way to get information about crystallographic and electronic structure of the studied surface. Here we apply these methods accompanied by the state- of-the-art density functional theory (DFT) calculations…
We report on the single phase synthesis and room temperature structural characterization of PbFe0.67W0.33O3 (PFW) multiferroic. The PFW was synthesized by low temperature sintering, Columbite method. Analysis of powder XRD pattern exhibits single phase formation of PFW with no traces of pyrochlore phase. Detailed anal…
The temperature dependence of (1)H and (13)C nuclear spin-lattice relaxation rate 1/T1 has been studied in the 1.6-4.2 K temperature range in pure pyruvic acid and in pyruvic acid containing trityl radicals at a concentration of 15 mM. The temperature dependence of 1/T1 is found to follow a quadratic power law for bot…
Li4BN3H10 is of great interest for hydrogen storage and for lithium-ion battery solid electrolytes because of its high hydrogen content and high lithium-ion conductivity, respectively. The practical hydrogen storage application of this complex hydride is, however, limited due to irreversibility and cogeneration of amm…
Spinel-type LiMn 2 O 4 is prone to lithium over-stoichiometry in which a certain amount of lithium ions occupy the manganese sites.
This work shows the potential of hard, elastic and electrically conductive nanocomposite NbC films for nano- and micro- electronics applications.
Sintering of layers of dispersed nanocrystals for different temperature control protocols and initial configurations.
Irradiation with high-energy ions has been widely suggested as a tool to engineer properties of graphene. Experiments show that it indeed has a strong effect on graphene's transport, magnetic and mechanical characteristics. However, to use ion irradiation as an engineering tool requires understanding of the type and d…
Vacancies on the perovskite A-site have been used to induce a glass-like thermal conductivity in crystalline SrTiO 3 .
We demonstrate that shapes with zero Gaussian curvature, except at singularities, produced by the growth-induced buckling of a thin elastic sheet are the same as those produced by the Volterra construction of topological defects in which edges of an intrinsically flat surface are identified. With this connection, we s…
Highly ordered and self supported anatase TiO2 nanoparticle chains were fabricated by calcining conformally TiO2 coated multi-walled carbon nanotubes (MWCNTs). During annealing, the thin tubular TiO2 coating that was deposited onto the MWCNTs by atomic layer deposition (ALD) was transformed into chains of TiO2 nanopar…
The magnetization, crystal structure, and thermal expansion of a nearly stoichiometric Sr 1.04(3) Er 2.09(6) O 4.00(1) single crystal have been studied by PPMS measurements and in-house and high-resolution synchrotron X-ray powder diffraction.
As graphene has become one of the most important materials, there is renewed interest in other similar structures. One example is silicene, the silicon analogue of graphene. It shares some of the remarkable graphene properties, such as the Dirac cone, but presents some distinct ones, such as a pronounced structural bu…
We investigate the stability and electronic properties of oxy- (O) or imine- (NH) functionalized monolayer phosphorene with either single-side or double-side functionalization based on density-functional theory calculations.
We have performed resistivity measurements of poly[3,4-ethylenedioxythiophene]: poly[styrenesulfonate] (PEDOT:PSS) films with varying concentrations of glycerol. Resistivity is seen to decrease exponentially from roughly 3 Ω-cm for pure PEDOT:PSS to 3 × 10-2Ω-cm for 35 mg/cm3 glycerol in PEDOT:PSS. Beyond this concent…
We investigate the spin-dependent electric and thermoelectric properties of ferromagnetic zigzag α-graphyne nanoribbons (ZαGNRs) using density-functional theory combined with non-equilibrium Green's function method. A giant magnetoresistance is obtained in the pristine even-width ZαGNRs and can be as high as 10(6)%. H…
Crystallization and vitrification are two different routes to form a solid. Normally these two processes suppress each other, with the glass transition preventing crystallization at high density (or low temperature). This is even true for systems of colloidal hard spheres, which are commonly used as building blocks fo…
The phonon band structure of monolayer MoS₂ is characteristic of a large energy gap between acoustic and optical branches, which protects the vibration of acoustic modes from being scattered by optical phonon modes. Therefore, the phonon bandgap engineering is of practical significance for the manipulation of phonon-r…