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。
Sensitive and specific biodetection of tumor markers is essential for early-stage cancer diagnosis and therapy, and will ultimately increase the patient survival rate. As a new generation of luminescent bioprobes, lanthanide (Ln(3+))-doped inorganic luminescent nanoparticles have attracted considerable interest for a…
Using density functional theory calculations, we have systematically explored the effect of surface adsorption of different atoms on the electronic properties of monolayer molybdenum disulfide (MoS 2 ). We have chosen a few representative members from each group in the periodic table, ranging from alkali metals (group…
We demonstrate a simple all-optical patterning method for graphene, based on laser induced two-photon oxidation. By tuning the intensity and dose of irradiation, the level of oxidation is controlled, the band gap is introduced and electrical and optical properties are continuously tuned. Complex patterning is performe…
A highly selective and sensitive turn-on red fluorescent 1-amino BODIPY-based probe (where BODIPY denotes indole-based boron-dipyrromethene) with high off-to-on contrast ratio has been developed. The probe displayed selective response to thiophenols over aliphatic thiols. Probe 1 is promising for the quantitative dete…
Phosphorene, a recently fabricated two-dimensional puckered honeycomb structure of phosphorus, showed promising properties for applications in nano-electronics. In this work, we report a chemical scissors effect on phosphorene, using first-principles method. It was found that chemical species, such as H, OH, F, and Cl…
Diamond has outstanding physical properties: the hardest known material, a wide band gap, the highest thermal conductivity, and a very high Debye temperature. In 2004, Ekimov et al. discovered that heavily boron-doped (B-doped) diamond becomes a superconductor around 4 K. Our group successfully controlled the boron co…
Spin injection efficiency based on conventional ferromagnet (or half-metallic ferromagnet) /semiconductor is greatly limited by the Schmidt obstacle due to conductivity mismatch, here we proposed that by replacing the metallic injectors with spin gapless semiconductors can significantly reduce the conductive mismatch…
Electrons mediate many of the interactions between atoms in a solid. Their propagation in a material determines its thermal, electrical, optical, magnetic and transport properties. Therefore, the constant energy contours characterizing the electrons, in particular the Fermi surface, have a prime impact on the behavior…
In order to find out a selected number of molecules to reproduce the infrared spectrum of interstellar gas and dust, model coronene molecules with void and charge have been computed using density functional theory. Among them, a single void induced cation C23H12++ have successfully reproduced a wide range spectrum fro…
We report theoretical investigations on the role of interfacial bonding mechanism and its resulting structures to quantum transport in molecular wires. Two bonding mechanisms for the Au-S bond in an Au(111)/1,4-benzenedithiol(BDT)/Au(111) junction were identified by ab initio calculation, confirmed by a recent experim…
The thermal decomposition of cobalt, nickel, manganese, zinc, and copper nitrates supported on nanometric alumina was investigated and compared with decomposition of corresponding bulk nitrates. TG, DTA, and MS measurements in air were performed. The supported nitrates decompose in lower temperatures than the bulk one…
Scientific information on the potential harmful effects of silver nanoparticles (AgNPs) on human health severely lags behind their exponentially growing applications in consumer products. In assessing the toxic risk of AgNP usage, liver, as a detoxifying organ, is particularly important. The aim of this study was to e…
INTRODUCTION: Carbon nanotubes have been advocated as promising candidates in the biomedical field in the areas of diagnosis and therapy. In terms of drug delivery, the use of carbon nanotubes can overcome some limitations of 'free' drugs by improving the formulation of poorly water-soluble drugs, allowing targeted de…
Nitrogen doping is a promising method of engineering the electronic structure of a metal oxide to modify its optical and electrical properties; however, the doping effect strongly depends on the types of defects introduced. Herein, we report a comparative study of nitrogen-doping-induced defects in Cu2O. Even in the l…
The design of hydrogels with controllable drug-release properties remains challenging. Here we report a hydrogel made of hierarchical graphene oxide sheets and peptide assemblies for on-demand drug release. The hydrogel possesses high drug-sustainability and the release of drugs can be precisely and remotely controlle…
This work investigates hydrogen adsorption onto various graphene flakes such as coronene and coronene-like as suitable models of graphene within the framework of the DFT-B3LYP method. The non-local van der Waals (vdW) density functional (B3LYP-D3) method is used for both structural geometry optimization and total ener…
Because of the excellent intrinsic properties, especially the strong mechanical strength, extraordinarily high surface area and extremely high conductivity, graphene is deemed as a versatile building block for fabricating functional materials for energy production and storage applications. In this article, the recent…
Low molecular weight gelators (LMWG) self-assemble in solution into one-dimensional objects such as fibres or tapes. The entanglement of these fibres or tapes results in the formation of a network and a gel. In general, LMWG are investigated as single component systems. However, there are significant potential opportu…
Graphene has attracted the interest of chemists, physicists, and materials scientists due to its extraordinary structural, mechanical, and electronic properties. While pristine graphene is desirable for applications that require a high electrical conductivity, many other applications require modified or functionalized…
Primary and secondary containment structures are the major components of the nuclear power plant (NPP). The performance requirements of the concrete of containment structures are mainly radiological protection, structural integrity and durability, etc. For this purpose, high-performance heavy density concrete with spe…