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。
Graphene-like group IV semiconductors such as silicene and germanene may be organic functionalized to supply the necessary tools for the manipulations at a molecular level that the microelectronics industry will demand within the following years. In particular, the organic functionalization with molecules containing u…
Metal ions play an important role in the catalysis of metalloenzymes. To investigate metalloenzymes via molecular modeling, a set of accurate force field parameters for metal ions is highly imperative. To extend its application range and improve the performance, the dummy atom model of metal ions was refined through a…
ABSTRACT This work presents useful composites for oil spill cleanup processes. These systems are composed of a polyester matrix loaded with coffee ground powder and maghemite. They were prepared by in situ polymerization. The aliphatic monomers proportion—castor oil and glycerin—was studied with the aim of understandi…
Material properties are strongly dependent on material structure. The large diversity and complexity of material structures provide significant opportunities to improve the properties of the materials, expanding their applications. Here, we discuss the fabrication of a multifunctional silver film prepared by controlli…
Superparamagnetic Fe3O4 nanoparticles (NPs) based nanomaterials have been exploited in various biotechnology fields including biomolecule separation. However, slow accumulation of Fe3O4 NPs by magnets may limit broad applications of Fe3O4 NP-based nanomaterials. In this study, we report fabrication of Fe3O4 NPs double…
This paper presents a thorough evaluation of the castability of the most common Mg die‐casting alloys developed for elevated temperature applications. The alloys evaluated include AS31, AJ52, MRI153A, MRI153M, MRI230D, AXJ530, AE44, and AM‐HP2plus. Among the various alloys evaluated, AE44, MRI153A, and AS31 are found…
A novel and practical approach of exfoliating graphite into graphene uses a sequence of flow and sonication on graphite suspensions. Graphite sediment after intense mixing is found to be altered, graphite having curled-up edges, which increases its sensitivity to ultrasound. Quadrupled graphene yield is achieved throu…
, as it displays excellent solubility to both silkworm silks. Rheological measurements of those regenerated silk fibroin (RSF) solutions indicate that the solvation degree of RSF decreases with the increase of temperature and the addition of water. Generally, the sol-gel transition of both RSF/EMImAc/water systems tak…
We address the question of how reducing the number of degrees of freedom modifies the interfacial thermodynamic properties of heterogeneous solid-liquid systems. We consider the example of n-hexane interacting with multi-layer graphene which we model both with fully atomistic and coarse-grained (CG) models. The CG mod…
Barium bismuth oxide (BaBiO_{3}) is the end member of two families of high-T_{c} superconductors, i.e., BaPb_{1-x}Bi_{x}O_{3} and Ba_{1-x}K_{x}BiO_{3}. The undoped parent compound is an insulator, exhibiting a charge density wave that is strongly linked to a static breathing distortion in the oxygen sublattice of the…
The site exchange of an anion moiety (O, N, F, Ne, P, S, Cl, and Ar) with an oxygen vacancy in fluorite-structured CeO 2 was studied by means of density functional theory (DFT) calculations. The obtained activation energies of migration vary between 0.2 and 0.9 eV, and increase with the formal valence of the migrating…
Investigation of light-element magnetism system is essential in fundamental and practical fields. Here, few-layer (∼3 nm) fluorinated hexagonal boron nitride (F-BN) nanocages with zigzag-edge triangular antidot defects were synthesized via a facile one-step solid-state reaction. They are free of metallic impurities co…
In the present paper, ZrB2–SiC–MoSi2 composites were prepared by pressureless sintering at temperatures of 2050, 2100 and 2150 °C for 1 h under argon atmosphere. In order to prepare composite samples, ZrB2 powder was milled for 2 h, then the reinforcing particles including of micron and nano-sized SiC powder were adde…
WO3 vertical plate-like arrays provide a direct pathway for charge transport, and thus hold great potential as working electrodes for photoelectrochemical (PEC) water splitting. However, surface recombination due to surface defects hinders the performance improvement. In this work, WO3 vertical plate-like arrays films…
Abstract The single crystal of M‐4‐B was obtained by attaching the boron of BH3 to the amine linker between a tetraphenylethylene (TPE) unit and rhodamine B. M‐4‐B showed a novel sequential tricolor switching from dark blue to bluish‐green and to a reddish color upon grinding. The boron atom played a key role in devel…
The capability of the photoresponsive isomerization of azobenzene derivatives in self-assembled monolayer (SAM) surfaces to control protein adsorption behavior has very promising applications in antifouling materials and biotechnology. In this study, we performed an atomistic molecular dynamics (MD) simulation in comb…
Abstract Thiocyanate‐functionalized ionic liquids (ILs) 1‐butyl‐3‐methylimidazolium thiocyanate [BMIM][SCN], 1‐ethyl‐3‐methylimidazolium thiocyanate [EMIM][SCN], and 3‐methylimidazolium thiocyanate [MIM][SCN], with varying chain lengths, were synthesized by using metathesis followed by ion exchange under reflux condit…
Two‐dimensional (2D) ultra‐high carrier densities are of considerable current research interest for novel plasmonic and high charge‐gain devices. However, the highest 2D electron density obtained is thus far limited to 3 × 1014 cm–2 (½ electron/unit cell/interface) at GdTiO3/SrTiO3 interfaces, and is typically an orde…
The polycarbosilane (PCS) precursor for SiC with high molecular weight and medium molecular weight distribution was synthesized from polydimethylsilane at normal pressure. The chemical formula, the number average molecular weight, and the polydispersivity index of the synthesized PCS are SiC 1.94 H 5.01 O 0.028 , 1135…
Pyrolysis of chitosan films containing Au(3+) renders 1.1.1 oriented Au nanoplatelets (20 nm lateral size, 3-4 nm height) on a few layers of N-doped graphene (Au/fl-G), while the lateral sides were 0.0.1 oriented. Comparison of the catalytic activity of Au/fl-G films with powders of unoriented Au NPs supported on grap…