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 an \emph{ab initio} study of the effect of macroscopic deformation on energetics of twelve alloying elements in bcc Fe under three specially designed strain modes. We find that there exists a universal linear relation of describing the volume dependence of substitutional energy of alloying elements via intr…
The band structure of cubic inverse perovskites, Ca_3PbO and its family, are investigated with the first-principles method. A close observation of the band structure reveals that six equivalent Dirac electrons with a very small mass exist on the line connecting the Gamma- and X-points, and at the symmetrically equival…
Spin-dependent electronic transport properties of Fe-terminated zig-zag graphene nanoribbons (zGNRs) have been studied using first-principles transport simulations. The spin configuration of proposed zGNRs junction can be controlled with external magnetic field, and the tunneling junction show magnetoresistance &g…
We report the critical current density ${J}_{c}$ in K${}_{x}$Fe${}_{2\ensuremath{-}y}$Se${}_{2\ensuremath{-}z}$S${}_{z}$ crystals. The ${J}_{c}$ can be enhanced significantly with optimal S doping ($z=0.99$). For K${}_{0.70(7)}$Fe${}_{1.55(7)}$Se${}_{1.01(2)}$S${}_{0.99(2)}$, the weak fishtail effect is found for $H\e…
Using the results of x-ray and neutron diffraction experiments, we show that the ferroelectric polarization, in ∼22 nm particles of BiFeO3, exhibits a jump by ∼30% around the magnetic transition point TN (∼635 K) and a suppression by ∼7% under 5T magnetic field at room temperature (≪TN). These results confirm the pres…
We present results from particle simulations with isotropic medium range interactions in two dimensions. At low temperature novel types of aggregated structures appear. We show that these structures can be explained by spontaneous symmetry breaking in analytic solutions to an adaptation of the spherical spin model. We…
High coercivity, the highest for Cu-free 2 : 17 Sm-Co ribbons, has been obtained in as-spun (= 211 kOe) and short time annealed (= 232 kOe) samples of Sm(CobalFe Zr B)7 5 alloys, with varying B, Zr, and Fe content (= 0-0 06, = 0-0 16, = 0 08-0 3) and wheel speed. In as-spun samples, the TbCu7 type structure and in ann…
“Janus” dendrimers, i.e.dendrimers constituted of two dendrimeric wedges and terminated by two different functionalities, are reviewed. Both the synthetic aspects and the particular properties afforded by the presence of two different functions in two precise areas of the surface of the Janus dendrimers are reported.…
Using the linearized Boltzmann transport equation and perturbation theory, we analyze the reduction in the intrinsic thermal conductivity of few-layer graphene sheets accounting for all possible three-phonon scattering events. Even with weak coupling between layers, a significant reduction in the thermal conductivity…
A new polyoxometalate (POM) based on a flexible bidentate ligand and "inverted Keggin" inorganic building block, namely, [Cu(8)L(8)[Mo(12)O(46)(AsPh)(4)](2)]·H(2)O (1), where L is 1,3-bis(1,2,4-triazol-1-yl)propane, has been synthesized under hydrothermal condition. In 1, the "inverted Keggin" [Mo(12)O(46)(AsPh)(4)](4…
The electronic structure of four ternary-metal oxides containing isolated vanadate ions is studied. Zircon-type YVO4, YbVO4, LuVO4, and NdVO4 are investigated by high-pressure optical-absorption measurements up to 20 GPa. First-principles calculations based on density-functional theory were also performed to analyze t…
Hybrid functional density functional theory calculations of the oxygen vacancy (V${}_{\mathrm{O}}$) in monoclinic bulk WO${}_{3}$ provide a coherent rationalization for the strong dependence of WO${}_{3\ensuremath{-}x}$ electronic properties on the V${}_{\mathrm{O}}$ concentration and of the semiconductor-to-metal tra…
Space charge formation in polymeric materials can cause some serious concern for design engineers as the electric field may severely be distorted, leading to part of the material being overstressed. This may result in material degradation and possibly premature failure at the worst. It is therefore important to unders…
Abstract Exceptionally high specific surface area, mechanical strength, electrical conductivity, and a special two‐dimensional structure make graphene a highly promising material for electromechanical actuators. Electromechanical actuators are fabricated using flexible graphene‐based paper prepared via a filtration pr…
We present the theoretical modeling and prototype demonstration of a three-dimensional broadband, low-loss, dual-polarization, and high-directivity lens antenna using gradient index (GRIN) metamaterials, which is composed of multi-layer microstrip square-ring arrays. The elements of metamaterials, closed square-ring u…
In this letter, we demonstrate the first BN/graphene/BN field-effect transistor for RF applications. This device structure can preserve the high mobility and the high carrier velocity of graphene, even when it is sandwiched between a substrate and a gate dielectric, and is hence very promising to enable the next gener…
The self-complementary hydrogen bonding ureido-pyrimidinone (UPy) motif is widely used in the design of supramolecular polymers because of its high dimerization constant. Lateral aggregation into fibrous structures is achieved by the addition of urea functions close to the UPy end group of low- T g oligomers, yielding…
Abstract This Feature Article summarizes the recent advances of water‐soluble fluorescent conjugated polyelectrolytes (CPEs) in bioimaging. Apart from a brief overview of traditional linear CPEs, a special emphasis is placed on CPEs that can self‐assemble into or are born with three‐dimensional nano‐architectures, inc…
In the last few decades, nanoparticles (NPs) have been recognized as promising candidates for starting a new revolution in science and technology due to their unusual properties, attracting the attention of physicists, chemists, biologists, and engineers. The aim of this study is to evaluate the toxicities (at both ce…
We derive from first principles an accurate homogenized description of periodic metamaterials made of magnetodielectric inclusions, highlighting and overcoming relevant limitations of standard homogenization methods. We obtain closed-form expressions for the effective constitutive parameters, pointing out the relevanc…