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 explain a profound complexity of magnetic interactions of some technologically relevant gadolinium intermetallics using an ab initio electronic structure theory which includes disordered local moments and strong f-electron correlations. The theory correctly finds GdZn and GdCd to be simple ferromagnets and predicts…
We explore the link between soft vibrational modes and local relaxation events in polymer glasses during physical aging, active deformation at constant strain rate, and subsequent recovery. A softness field is constructed out of the superposition of the amplitudes of the lowest energy normal modes, and found to predic…
In order to convert the well-known Fe-Co-B alloy from a soft to a hard magnet, we propose tetragonal strain by interstitial boron. Density functional theory reveals that when B atoms occupy octahedral interstitial sites, the bcc Fe-Co lattice is strained spontaneously. Such highly distorted Fe-Co is predicted to reach…
For a symmetry consistent theoretical description of the multiferroic phase of Ba$_2$CoGe$_2$O$_7$ a precise knowledge of its crystal structure is a prerequisite. In our previous synchrotron X-ray diffraction experiment on multiferroic Ba$_2$CoGe$_2$O$_7$ at room temperature we found forbidden reflections that favour…
The main obstacles in realizing diluted magnetic oxide (DMO) in spintronics are the unknown electronic structures associated with its high TC ferromagnetism and spin polarized current and how to manipulate desired electronic structures by fabrication techniques. We demonstrate that fine-tuned electronic structures and…
Defect-induced ferromagnetism has triggered a lot of investigations and controversies. The major issue is that the induced ferromagnetic signal is so weak that it can be sufficiently accounted for by trace contamination. To resolve this issue, we studied the variation of the magnetic properties of SiC after neutron ir…
In spite of the key role of hydrogen bonding in the structural stabilization of the prototypic hybrid halide perovskite, CH3NH3PbI3 (MAPbI3), little progress has been made in our in-depth understanding of the hydrogen-bonding interaction between the MA+-ion and the iodide ions in the PbI6-octahedron network. Herein, w…
Candidates for correlated topological insulators, originated from the spin-orbit coupling as well as the Hubbard-type correlation, are expected in the (111) bilayer of perovskite-structural transition-metal oxides. Based on the first-principles calculation and tight-binding model, the electronic structure of a ${\text…
Statistical models are essential to get a better understanding of the role of disorder in brittle disordered solids. Fiber bundle models play a special role as a paradigm, with a very good balance of simplicity and non-trivial effects. We introduce here a variant of the fiber bundle model where the load is transferred…
We report that the π-electrons of graphene can be spin-polarized to create a phase with a significant spin-orbit gap at the Dirac point (DP) using a graphene-interfaced topological insulator hybrid material. We have grown epitaxial Bi2Te2Se (BTS) films on a chemical vapor deposition (CVD) graphene. We observe two line…
In the classic theory of solid adhesion, surface energy drives deformation to increase contact area whereas bulk elasticity opposes it. Recently, solid surface stress has been shown also to play an important role in opposing deformation of soft materials. This suggests that the contact line in soft adhesion should mim…
A brief review of the stabilisation of emulsions of two immiscible oils is given. We then describe the use of fumed silica particles coated with either hydrocarbon or fluorocarbon groups in acting as sole stabilisers of emulsions of various vegetable oils with linear silicone oils (PDMS) of different viscosity. Transi…
Directed assembly of gold nanorods through the use of dithiolated molecular linkers is one of the most efficient methodologies for the morphologically controlled tip-to-tip assembly of this type of anisotropic nanocrystals. However, in a direct analogy to molecular polymerization synthesis, this process is characteriz…
Luminescent polymer composite materials, based on poly(vinyl alcohol) (PVA), as a matrix polymer and graphene quantum dots (GQDs) derived from coal, were prepared by casting from aqueous solutions. The coal-derived GQDs impart fluorescent properties to the polymer matrix, and the fabricated composite films exhibit sol…
Porous hierarchical architectures of few-layer MoS2 nanosheets dispersed in carbon matrix are prepared by a microwave-hydrothermal method followed by annealing treatment via using glucose as C source and structure-directing agent and (NH4 )2 MoS4 as both Mo and S sources. It is found that the morphology and size of th…
-butylpyrene (DBP) as the annihilator/emitter. The covalently tethered DBP to CDCB is proven critical for achieving the superior sensitizing and UC performance in the solid matrix, essentially by suppressing the reverse ISC and more effectively transferring triplet excitons to free emitters.
The electronic characteristics of arsenene-graphene van der Waals (vdW) heterostructures are studied by using first-principles methods. The results show that a linear Dirac-like dispersion relation around the Fermi level can be quite well preserved in the vdW heterostructures. Moreover, the p-type Schottky barrier (0.…
The toxicity mechanism of nanoparticles on vertebrate cardiovascular system is still unclear, especially on the low-level exposure. This study was to explore the toxic effect and mechanisms of low-dose exposure of silica nanoparticles (SiNPs) on cardiac function in zebrafish embryos via the intravenous microinjection.…
Stacked two-dimensional titanium carbide is an emerging conductive material for electrochemical energy storage which requires an understanding of the intrinsic electronic conduction. Here we report the electronic conduction properties of stacked Ti3C2T2 (T = OH, O, F) with two distinct stacking sequences (Bernal and s…
Because of their many advantages, graphene and graphene-based materials are used in supercapacitor electrodes. The main limitation of these electrodes is their low quantum capacitance, which is a direct result of the shortage of states near the Fermi level. Using first-principles density functional theory calculations…