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。
Polymers to be used in bulk heterojunction (BHJ) solar cells should maintain a low highest occupied molecular orbital (HOMO) energy level as well as a narrow band gap in order to maximize the open circuit voltage (V(oc)) and the short circuit current (J(sc)). To concurrently lower the HOMO energy level and the band ga…
In order to investigate the electronic and magnetic properties of Co–ZnO alloys, we used a full potential linearized augmented plane wave (FPLAPW) method within the density functional theory (DFT), as implement in the WIEN2K package. This work is carried out within the LSDA approximation as the exchange-correlation po…
Many industries mix granular materials of different sizes and shapes. Product quality and consistency are often compromised by demixing of constituent components. Not only is this practically problematic but it is also philosophically unsettling, for on smaller colloidal scales, systems consisting of particles differi…
ZnO nanostructures were grown by pulsed laser deposition on c-sapphire, Si (111) (n-type and p-type) and analysed using morphological and optical techniques. Under optimized growth conditions, self-forming arrays of vertically aligned nanostructures were obtained. Scanning electron microscopy studies revealed two main…
We have investigated acoustic-phonon behavior of Pd-, Pt-, and Zr-based metallic glasses with the combination of inelastic x-ray scattering and ultrasonic (US) measurements. In the dispersion of the longitudinal acoustic modes at small wave number $Q$, the phase velocity of phonon tends to exceed the US velocity with…
The geometric, electronic, and magnetic properties of titania nanoribbons (TiO 2 NRs) are investigated with use of first-principles calculations within density-functional theory. The TiO 2 NRs formed by cutting ultrathin TiO 2 nanosheet along armchair and zigzag axes have high energetic stability. Zigzag TiO 2 NRs are…
Highly hierarchical structures of silver indium tungsten oxide (AgIn(WO 4 ) 2 ) mesocrystals can be rationally fabricated via the microwave-assisted synthesis method by tuning the initial concentrations of the precursors. Photoluminescence spectra of hierarchical AgIn(WO 4 ) 2 mesocrystals were measured to investigate…
We report experimentally and theoretically the effect of phase transformation on the converse magnetoelectric (CME) properties of a heterostructure formed by one layer of piezoelectric 0.7PbMg1/3Nb2/3O3-0.3PbTiO3 (PMN-PT) crystal sandwiched between two layers of ferromagnetic shape memory Ni49.2Mn29.6Ga21.2 (Ni–Mn–Ga)…
The magnetic structure for the recently synthesized iron-arsenide compound ${\text{CaFe}}_{4}{\text{As}}_{3}$ has been studied by neutron-powder diffraction. Long-range magnetic order is detected below 85 K, with an incommensurate modulation described by the propagation vector $k=(0,\ensuremath{\delta},0)$, $\ensurema…
We present detailed local structure measurements (using the extended x-ray absorption fine structure technique) for the colossal magnetoresistive material ${\text{La}}_{1\ensuremath{-}x}{\text{Ca}}_{x}{\text{MnO}}_{3}$ $(0.21<x<0.45)$ as a function of temperature and magnetic field. The local distortions of the Mn-O b…
The new trend in semiconductor technology is search of new materials, which could replace silicon in specialized applications. One of them is zinc oxide (ZnO), a II–VI semiconductor. In this work we show how to obtain at relatively low temperature monocrystalline layers of ZnO using atomic layer deposition (ALD) metho…
We report the component E⃑⊥ĉ of the pseudodielectric-function tensor ⟨ε(E)⟩=⟨ε1(E)⟩+i⟨ε2(E)⟩ of γ-phase single-crystal InSe, obtained from 1.5 to 9.2 eV by vacuum-ultraviolet spectroscopic ellipsometry with the sample at room temperature. Overlayer artifacts were reduced as far as possible by measuring fresh surfaces…
Undergraduate laboratories rarely involve lanthanide coordination chemistry. This is unfortunate in light of the ease with which many of these complexes are made and the interesting and instructive photophysical properties they entail. The forbidden nature of the 4f transitions associated with the lanthanides is overc…
We study the pseudospin valve effect in bilayer graphene nanoribbons using the recursive Green's function method. The pseudospin degree of freedom is associated with the electron density in two layers and can be controlled by external gate electrodes. We find that the conductance of nanoribbons shows different behavio…
Abstract Asymmetric and symmetric aromatic triol isomers were synthesized from erucic acid. The pure asymmetric and symmetric triols were crosslinked with MDI into their corresponding polyurethane sheets. The physico‐chemical properties of these polyurethanes were studied by Fourier transform infrared (FTIR) spectrosc…
We employ density-functional theory (DFT) within the generalized-gradient approximation (GGA) to investigate the formation energies, electronic structure, and magnetic properties of N impurities in zinc oxide (ZnO) nanowires. While the subsurface position is the preferential site for the N dopants in bare nanowires, u…
Phosphine-based catalysts play an important role in many metal-catalyzed carbon-carbon bond formation reactions yet reliable values of their bond energies are not available. We have been studying homogeneous catalysts consisting of a phosphine bonded to a Pt, Pd, or Ni. High level electronic structure calculations at…
We present a theoretical density-functional theory study of the effect of deposition on a metal substrate (Mg, Pt, Ag, and Au) on the phase diagram of ultrathin MgO(111) polar films. By considering various crystallographic structures (rocksalt, zinc-blende, and graphiticlike), layer stackings and lattice registries at…
The dielectric properties of KCa2Nan−3NbnO3n+1 (n=3–6) Dion–Jacobson homologous series have been investigated. The dielectric constants (ε) increase with the number of octahedral units (n), and the n=6 compound (KCa2Na3Nb6O19) exhibits a stable dielectric response with ε=∼500 between 1 kHz and 1 MHz. This n-dependent…
The in-plane thermal conductivity is measured to be three times lower in misfit-layered [(PbSe)0.99]x(WSe2)x superlattice thin films than disordered-layered WSe2 because of interface scattering despite a higher cross-plane value in the former than the latter. While having little effect on the in-plane thermal conducti…