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 prepared three types of non-Cu RHQ-Nb3Al wire samples with different matrix structures: an all-Ta matrix,a composite matrix of Nb and Ta with a Ta inter filament, and an all-Nb matrix. Neutron diffraction patterns of the wire samples were measured at room temperature in J-PARC "TAKUMI". To obtain residual strains o…
A double-stranded system, modeled by a Frenkel-Kontorova lattice, is studied through nonequilibrium molecular dynamics simulations. We have investigated the thermal conductance influenced by the intra-chain interaction as well as by the inter-chain interaction. It is found that the intra-chain interaction always enhan…
We present a study of the thermodynamic and physical properties of Ta5Si3 compounds by means of density functional theory based calculations. Among the three different structures (D8m, D8l, D88), the D8l structure (Cr5B3-prototype) is the low temperature phase with a high formation enthalpy of -449.20kJ/mol, the D8m s…
Here we reported on the synthesis and characterization of Co3O4 gillyflower-like nanostructures (termed as CGN) with peroxidase-like activity via an L-arginine-assisted hydrothermal synthesis approach. The CGN were characterized by a wide range of physicochemical characterization techniques. The temperature-dependence…
Abstract UHMWPE/MWCNT and UHMWPE/GNS composites with a segregated network are prepared. TEM and SEM images indicate that the conducting fillers are distributed on the UHMWPE surface and form a segregated conducting network. The percolation threshold of UHMWPE/GNS composites is ≈0.25 wt% and that of UHMWPE/MWCNT compos…
First-principles calculations of substitutional defects and vacancies are performed for zigzag-edged hybrid C/BN nanosheets and nanotubes which recently have been proposed to exhibit half-metallic properties. The formation energies show that defects form preferentially at the interfaces between graphene and BN domains…
General purpose graphical processing units (GPU's) offer high processing speeds for certain classes of highly parallelizable computations, such as matrix operations and Fourier transforms, that lie at the heart of first-principles electronic structure calculations. Inclusion of exact-exchange increases the cost of den…
Linear scaling methods, or O(N) methods, have computational and memory requirements which scale linearly with the number of atoms in the system, N, in contrast to standard approaches which scale with the cube of the number of atoms. These methods, which rely on the short-ranged nature of electronic structure, will all…
We study three-electron energy spectra in Si/SiGe single and vertically coupled double quantum dots where all the relevant effects, such as, the Zeeman splitting, spin-orbit coupling, valley coupling and electron-electron Coulomb interaction are explicitly included. In the absence of magnetic field, our results in sin…
The electronic structure of nickel nanoparticles encapsulated in carbon was characterized by photoelectron, X-ray absorption, and X-ray emission spectroscopies. Experimental spectra were compared with the density of states calculated in the frame of density functional theory. The carbon shell of Ni nanoparticles has b…
Data collapse enables comparison of measurement data measured in different laboratories on different samples. In the case of energy losses in Soft Magnetic Materials (SMM) the data collapse is possible to achieved only if the measurement data can be described by the two components formula. For more complicated cases w…
We study electron transport through single-molecule junctions formed by an octanethiol molecule bonded with the thiol anchoring group to a gold electrode and the opposing methyl endgroup to a carbon tip. Using the scanning tunneling microscope based break junction technique, we measure the electrical conductance of su…
We present a study of the thermodynamic and physical properties of Tl5Te3, BiTl9Te6 and SbTl9Te6 compounds by means of density functional theory based calculations. The optimized lattice constants of the compounds are in good agreement with the experimental data. The electronic density of states and band structures ar…
It's hip to be square: Gold square-like plates exhibit alternating hexagonal close-packed (hcp, see picture, yellow) and face-centered cubic (fcc, red) structures in the center and defect-free fcc structures at one pair of the opposite thick edges. They can be synthesized from Au square sheets in a secondary growth pr…
Practical biomedical application of mesoporous silica nanoparticles is limited by poor particle dispersity and stability due to serious irreversible aggregation in biological media. To solve this problem, hydrothermally treated mesoporous silica nanoparticles of small size with dual-organosilane (hydrophilic and hydro…
The effect of surface chemistry (nature and amount of oxygen groups) in the removal of ammonia was studied using a modified resin-based activated carbon. NH(3) breakthrough column experiments show that the modification of the original activated carbon with nitric acid, that is, the incorporation of oxygen surface grou…
Colloidal GaP nanowires (NWs) were synthesized on a large scale by a surfactant-free, self-seeded solution-liquid-solid (SLS) method using triethylgallium and tris(trimethylsilyl)phosphine as precursors and a noncoordinating squalane solvent. Ga nanoscale droplets were generated in situ by thermal decomposition of the…
This tutorial review highlights the most promising methods for the preparation of well-defined copper metal and oxide nanocrystals. These methodologies could be applied to other metals. We present the main synthetic strategies and associated mechanisms to control monodispersity, size, morphology and structure of metal…
The interaction of water vapor with hydrophobic surfaces is poorly understood. We utilize graphene templating to preserve and visualize the microscopic structures of adsorbed water on hydrophobic surfaces. Three well-defined surfaces [H-Si(111), graphite, and functionalized mica] were investigated, and water was found…
A comprehensive photophysical study is reported on a family of π-extended platinum(II) porphyrin complexes. The platinum(II) complexes are synthesized from the corresponding free base porphyrins by treatment with platinum(II) acetate in hot benzonitrile, affording the complexes in considerably higher yield than by rea…