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 study the electronic structure of graphene with a single substitutional vacancy using a combination of the density-functional, tight-binding and impurity Green's function approaches. Density-functional studies are performed with the all-electron spin-polarized linear augmented plane wave (LAPW) method. The three sp…
Abstract High hydrogen capacity (up to 2.6 wt%) is reported for highly aligned structures of Graphene oxide‐Multiwalled carbon nanotubes composite at room temperature. It is demonstrated that the scalable liquid crystal route can be employed as a new method to prepare unique 3‐D framework of graphene oxide layers with…
Fluorescent Au 25 nanoclusters recently have drawn considerable research interest due to their unique properties and potential applications. Despite significant advances in their synthesis methods and application development, the origin of the fluorescence and underlying mechanism still remain unclear. In this work we…
Efficient injection of spin-polarized current into a semiconductor is a basic prerequisite for building semiconductor-based spintronic devices. Here, we use inelastic electron tunneling spectroscopy to show that the efficiency of spin-filter-type spin injectors is limited by spin scattering of the tunneling electrons.…
The electron and hole effective masses of kesterite (KS) and stannite (ST) structured Cu_2Zn-IV-VI_4 (IV = Sn, Ge, Si and VI = S, Se) semiconductors are systematically studied using first-principles calculations. We find that the electron effective masses are almost isotropic, while strong anisotropy is observed for t…
The aim of the present study is to clarify the charge composition of fullerite C60 electron-beam dispersion (EBD) products and investigate the influence of fullerene ions and electrons on the structure of the deposited coatings by applying an additional electrostatic field to the substrates. It was found that C60 EBD…
We discuss threshold field-dependence of the decay rate of the uniform magnon mode in yttrium iron garnet (YIG) thin films. We demonstrate that decays must cease to exist in YIG films of thickness less than 1 μm, the lengthscale defined by the exchange length. We show that due to the symmetry of the three-magnon coupl…
The oscillatory tilt effect in a normal metal at external magnetic field is discovered. The oscillatory tilt effect is characterized by the oscillations of ultrasound attenuation in a metal at external magnetic field as predicted in [1]. The dimension of the non-central cross-section of the Fermi surface and the veloc…
We report the development and implementation of hybrid methods that combine quantum mechanics (QM) with molecular mechanics (MM) to theoretically characterize thiolated gold clusters. We use, as training systems, structures such as Au25(SCH2-R)18 and Au38(SCH2-R)24, which can be readily compared with recent crystallog…
A Comment on the Letter by M. Rupp et al., Phys. Rev. Lett. 108 058301 (2012).
Non-catalytic oxidation kinetics of diesel engine soot and more than a dozen commercial carbon black samples was investigated using non-isothermal and isothermal thermogravimetric analysis (TGA) experiments. The effect of various operating parameters, such as oxygen flow rate, initial sample mass, oxygen partial press…
We have studied the electronic and magnetic properties of fluorinated graphene with different coverage of fluorine using first-principles calculations based on the density functional theory. The atomic structures, adsorption energies, and electronic structures of fluorinated graphene are investigated. Our results show…
Unraveling the complex interplay between thermal properties and hydration is a part of understanding the fundamental properties of many soft materials and very essential for many applications. Here we show that graphene oxide (GO) demonstrates a highly negative thermal expansion (NTE) coefficient owing to unique therm…
This review focuses on the engineering of the structural, thermal, optical and spectroscopic properties of tellurium oxide (TeO2) glasses for their applications in fibre optic and waveguide devices. Unlike silica optical fibres, tellurium oxide glass fibres and light waveguides support propagation of light beyond ∼2 μ…
We have examined the direct effect of manipulating the number of free surfaces on the measured glass transition temperature T(g) of thin polystyrene films. Thin films in the range 35 nm < h < 114 nm with molecular weights of 592 kg/mol and 1144 kg/mol were studied. Ellipsometry was used to determine the temperature de…
Bismuth-doped optical glasses emit NIR luminescence in an ultrabroad spectral region of 1000-2000 nm. It makes Bi-doped glasses and glass optical fibers a promising active medium for the creation of Bi-doped fiber lasers and broadband optical amplifiers for this spectral region. Since the first fabrication of Bi-doped…
Herein, a new aromatic carboxylate ligand, namely, 4-(dipyridin-2-yl)aminobenzoic acid (HL), has been designed and employed for the construction of a series of lanthanide complexes (Eu(3+) = 1, Tb(3+) = 2, and Gd(3+) = 3). Complexes of 1 and 2 were structurally authenticated by single-crystal X-ray diffraction and wer…
The ability to inactivate Pseudomonas spp. and Rhodotorula mucilaginosa by a photocatalyst thin film, obtained via a combination of anatase and rutile titanium dioxide incorporation into a low density polyethylene (LDPE) polymeric matrix by a melt blending method, was addressed in this study. The number of surviving c…
Abstract Layered H 2 Ti 6 O 13 ‐nanowires are prepared using a facile hydrothermal method and their Li‐storage behavior is investigated in non‐aqueous electrolyte. The achieved results demonstrate the pseudocapacitive characteristic of Li‐storage in the layered H 2 Ti 6 O 13 ‐nanowires, which is because of the typical…
We studied the formation mechanism of hierarchical mesoporous silica nanoparticles with a wrinkle structure (wrinkled silica nanoparticles, WSNs), and a method for substructure control of silica nanoparticles was proposed. We confirmed that WSNs were generated in the bicontinuous microemulsion phase of the Winsor III…