Materials Literature
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Recent experimental work (J. Org. Chem., 2012, 77, 5829) demonstrated pronounced differences in measured thio-effects for the hydrolysis of (thio)phosphodichloridates by water and hydroxide nucleophiles. In the present work, we have performed detailed quantum chemical calculations of these reactions, with the aim of r…
Thermoelectric (TE) materials are crucial because they can be used in power generation and cooling devices. Sb2Te3‐based compounds are the most favorable TE materials because of their excellent figure of merit at room temperature. In this study, Sb2Te3 thin films were prepared on SiO2/Si substrates through thermal eva…
Objective. To evaluate the beneficial effects and safety of corticosteroids combined with traditional Chinese medicine (TCM) for pemphigus. Methods. Seven electronic databases were searched to identify any potential randomized controlled trials (RCTs) or clinical controlled trials (CCTs) that compared corticosteroids…
Based on the principle of fluorescence recovery, we propose a simple label-free and turn-on method for the detection of I − ions with high selectivity and sensitivity by using fluorescent Cdots/Ag nanocomposites in aqueous media.
A waterborne polyurethane-based polymeric dye (WPU-CFBB) was synthesized by anchoring 1, 4-bis(methylamino)anthraquinone (CFBB) to waterborne polyurethane chains. The number molecular weight, glass transition temperature, and average emulsion particle size for the polymeric dye were determined, respectively. This poly…
Novel phosphorus triazatetrabenzcorrole (TBC) tetrasubstituted at the α- and β-positions of the peripheral fused benzene rings with t-butylphenoxy substituents have been prepared and characterized. The effect of the substituents on the electronic structures and optical properties is investigated with TD-DFT calculatio…
After the invention of carbon nanotube field effect transistor (CNTFET) in 1998 it has attracted a number of research groups. It plays a great role in design of digital circuits to provide higher speed, low power consumption and less delay. One of its major advantages is that we can change its threshold voltage by cha…
An atomic-scale picture of the hydroxide-ion conduction in tin pyrophosphate (SnP 2 O 7 ) has theoretically been proposed in the present study.
Porous silicon carbide (SiC) ceramics have been a focus of interesting research in the field of porous materials due to their excellent thermal and mechanical properties, which results in wide spread applications in the industrial field. This study presents an approach for the production of porous SiO2 ceramics using…
Layer-by-layer assembled protein nanotubes show extremely high adsorption capacity for DNA molecules.
A new zinc di-corrole dye has been designed by substitution of Ga with Zn in a Ga di-corrole dye. Its optical and electronic properties were studied by extensive DFT calculations.
The controlled oxygenation of rG-O nanosheets is quite effective in controlling the chemical bonding nature and surface morphology of the graphene films and also in optimizing their electrical conductivity and stability.
CdTe is one of the most promising semiconductor for thin-film based solar cells. Here we report a computational study of Cd and Te adatom diffusion on the CdTe (111) A-type (Cd terminated) and B-type (Te terminated) surfaces and their migration paths. The atomic and electronic structure calculations are performed unde…
For the enhancement of antibody adsorption capacity, gold nanoparticle–MPS sheet composites were prepared. The dispersed gold nanoparticles were loaded onto an MPS sheet via deposition–precipitation using HAuCl 4 .
For the first time single precursor, polypropylene (PP) has been used to synthesise two‐dimensional (2D) graphene, 1D carbon nanotubes (CNT) and 0D carbon dots (C‐dots). The carbon chains of PP polymer contain tertiary carbon atoms that have considerably lower resistance against degradation and cracking which is easy…
The ionic liquid (IL)-water mixture pretreated bamboo (Phyllostachys edulis) samples were applied in the research of thermal decomposition. [BMIM]Cl (1-Butyl-3-methylimidazolium chloride)- water and [BMIM]BF4 (1-Butyl-3-methylimidazolium tetrafluoroborate)-water were used in pretreatment process. Compositions of the u…
Conventional ductile iron (DI) and austempered ductile iron (ADI) alloys were successfully produced.The alloying elements-Ni, Mo, Cr and Mn were added to get as-cast low-alloyed ductile iron (LADI) followed by austempering heat treatment.Hardness was measured for all investigated alloys.A hardness conversion table was…
Novel proton caged compounds have been synthesized, with a sulphur bridge to bind gold nanoparticles and release protons upon UV irradiation.
This paper presents the results of the simulation of the process of the formation of defects in uranium dioxide upon the flight of xenon and zirconium ions with energies characteristic of fission fragments. The simulation was performed using the Monte Carlo method in combination with atomistic simulation. This made it…
A 3D porous Ni/Sn–O–C composite thin film anode is electrodeposited from organic electrolyte containing LiPF 6 and exhibits satisfactory electrochemical performance.