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 present a first-principles study of the atomic hydrogen adsorption onto the Be(10\={1}0) thin film. There are two types of Be(10\={1}0) surfaces according to the interlayer spacing between the surface and its nearest-neighbor layer. We show that the H adsorption features on these two kinds of surfaces are remarkabl…
The physics of sliding nanofriction at high temperature near the substrate melting point $\Tmelt$ is so far unexplored. We conducted simulations of hard tips sliding on a prototype non-melting surface, NaCl(100), revealing in this regime two distinct and opposite phenomena for plowing and for grazing friction. We foun…
We have carried out first-principles calculations of Be(0001) thin films to study the oscillatory quantum size effects exhibited in the surface energy, work function, and binding energy of the atomic hydrogen monolayer adsorption. The prominent enhancement of the surface density of states at the Fermi level makes Be(0…
In the present paper we generalised a phenomenological model developed in \cite{gomo:2005} for the description of magnetostructural phase transitions and related peculiarities of elastic properties in solid oxygen under high pressure and/or low (below 40 K) temperature. We show that variation of all the lattice parame…
A systematic study of the Hugoniot equation of state, phase transition, and the other thermodynamic properties including the Hugoniot temperature, the electronic and ionic heat capacities, and the Grüneisen parameter for shock-compressed BeO, is presented by calculating the total free energy. The method of calculation…
Hard graft pays off for Henry: An efficient acid–base bifunctional mesoporous catalyst was prepared by one-step post-synthesis grafting of aminoorganoalkoxysilane groups on mesoporous silica (see picture). The catalyst led to yields of over 99 % in the Henry reaction (nitroaldol condensation) of p-hydroxybenzaldehyde…
PURPOSE: This investigation compared initial and fatigue strengths of particle-abraded ceramics to those of as-polished alumina and zirconia ceramics in crown-like layer structures. MATERIALS AND METHODS: Alumina or zirconia plates bonded to polycarbonate substrates were subjected to single-cycle and multi-cycle conta…
Size matters: The core-etching reaction by free glutathione is studied for glutathionate (SG)-protected Aun(SG)m clusters with n=10–39 and m=10–24 (see picture). Only the Au25(SG)18 clusters remain unetched, whereas the Aun(SG)m clusters with n<25 and n>25 are transformed into a AuI:SG complex and stable Au25:SG, resp…
The authors constructed the finite cluster model of bamboolike carbon nitride nanotubes taking the C9N5H3 as an example. As desired, the C9N5H3 bamboolike nanotubes were prepared in a facile solvent-free system. Both x-ray photoelectron microscopy and elemental analysis give its formula of C9N5H3, while the UV-vis and…
The Patterson techniques, recently developed by the same authors for the ab initio crystal structure solution of proteins, have been applied to single and multiple anomalous diffraction (SAD and MAD) data to find the substructure of the anomalous scatterers. An automatic procedure has been applied to a large set of te…
Photoemission electron microscopy is used to study copper diffusion through a ruthenium thin film. The photoemission electron microscopy images display a large contrast between Cu and Ru due to the differences in work function, making photoemission electron microscopy an ideal methodology to study thin film diffusion…
Abstract Four liquid solvents – 1,1,1‐trichloroethane, toluene, chlorobenzene and octane – are used as model contaminants in sorption experiments in polyethylene in order to study their diffusion behavior between 40 and 70 °C and assess the plausibility of utilizing recycled plastics as safe functional barriers in foo…
Abstract In this work, we report about the relationships between the linear rheology and the microstructure of a polymer‐nanoparticle model system (i‐PP/Al 2 O 3 nanospheres). Over a critical particle volume fraction, rheological evolutions during a quasi‐quiescent thermal annealing indicate the formation of a whole‐s…
Using ab initio total energy density-functional theory calculations, we investigated the electronic, structural, and magnetic properties of manganese-doped germanium nanowires. The nanowires have been constructed along the [110] direction and the dangling bonds on the surface have been saturated by hydrogen atoms. We…
The authors report on an approach to establish intrinsic polarization properties in bismuth-layered ferroelectric films by piezoelectric coefficient and soft-mode spectroscopy, as well as by a direct polarization–electric field hysteresis. In epitaxially grown (Bi4−xNdx)Ti3O12 (0⩽x⩽0.73) films, they show that these co…
Abstract Conducting polymer blends based on styrene–butadiene–styrene (SBS) triblock copolymer and polyaniline doped with dodecylbenzene sulfonic acid (Pani.DBSA) were prepared by different procedures: mechanical mixing (MM) and ‘in situ’ polymerization (ISP) methods. The ISP blends exhibited higher levels of electric…
Direct current (DC) flowing through the earthed neutrals of transformer windings causes a DC component in the magnetising current. Owing to non-linearity, the waveform of this current is strongly distorted. A method based on the finite element analysis of a transformer is presented that is capable of predicting the wa…
A method to significantly extend the operational lifetime of alkali-based photocathodes by diffusing cesium to the surface at moderate temperature is presented and shown to restore the quantum efficiency (QE) of cesiated tungsten. Experimental measurements of QE as a function of surface cesium coverage compare excepti…
The ferroelectric (Pb,Sr)TiO3 (PST) thin film with ZrO2 insulating buffer on Si and SiON(3nm)∕Si substrates was fabricated by rf magnetron sputtering. ZrO2 demonstrates excellent insulating properties on either Si or SiON∕Si substrates. The metal-ferroelectric-insulator-semiconductor structure shows low leakage curren…
The electronic structure of Fe-doped ${\mathrm{SnO}}_{2}$ is systematically investigated by means of first-principles calculations. A ferrimagnetic exchange interaction between the dopants, which is rarely found in dilute magnetic semiconductors, is predicted for the ground doping configuration in which two Fe ions ar…