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。
Fabrication of p -type ZnO has proven difficult and usually inconsistent despite numerous worldwide efforts. In this theoretical study we explored the problem of p -type ZnO formation using both DFT and thermochemistry calculations. Our DFT models predicted that Zn 3 P 2 is a good dopant because it can lead to a shall…
The constant-volume melting entropy of natural rubber ( cis -1,4-polyisoprene = c-PIP) is small compared with other linear polymers. With the aim of understanding this behavior a reliable structural model for the crystalline state of c-PIP is needed. To this end the recent study by Takahashi and Kumano (T−K) has been…
Diarylethenes bearing electro-donating and electro-withdrawing substituents in the 5,5‘-positions of the thiophene unit were studied theoretically (DFT, B3LYP) to understand the effect of the substituents on the infrared spectrum in the two stable forms. The photochromic molecule with the electro-donating substituent…
In this work, we detail the synthesis and photophysical properties of a series of soluble polybipyridine ligands comprising one to five bipyridine units sandwiched between rigid carbon-carbon triple bonds substituted by 3,4-dibutylthiophene repeating units. The dual Sonogashira coupling reaction of 5,5'-dibromo-2,2'-b…
Collision cascades in MgAl 2 O 4 are investigated using molecular dynamics simulations in order to determine the threshold displacement energies, E d , and the damage imparted to the lattice at energies of up to 5 keV. The value of E d is determined for MgAl 2 O 4 on each of the Mg, Al and O sublattices for different…
The first synthesis of all four stereoisomers of 1,3,5,7-tetrahydroxy-1,3,5,7-tetraisopropylcyclotetrasiloxane, [i-PrSiO(OH)]4 (all-trans-, cis-cis-trans-, cis-trans-cis-, and all-cis-1), is presented. The starting compounds, all-trans-, cis-cis-trans-, cis-trans-cis-, and all-cis-1,3,5,7-tetraaryl-1,3,5,7-tetraisopro…
Novel photosensitive chitosan was synthesized. The modified chitosan contains photoactive anthracene chromophore moieties. Because of the presence of anthracene chromophores, the polymer absorbs light in the UV-vis spectral region. Electronically excited polymeric chromophores could participate in energy and electron…
The preparation of nanotubes from human serum albumin (HSA) and mixtures of L-alpha-dimyristoylphosphatidic acid (DMPA)/HSA is described. The nanotubes were prepared via alternate adsorption of HSA of different/opposite charges (by variation of the pH) or by sequential adsorption of DMPA and HSA, respectively, onto th…
Two-dimensionally ordered honeycomb structures have been prepared on dodecanethiol-capped gold nanoparticle films by blowing moist air across the surface of the nanoparticle solution. The pore morphology can be altered from circle to ellipse with tunable aspect ratios by carefully controlling the direction and velocit…
When strontium titanate (SrTiO 3 ) single crystal is irradiated at room temperature with a 325 nm laser light in an evacuated specimen chamber, the luminescence intensity increases, creating a broad visible luminescence centred at about 2.4 eV. Then, introducing oxygen gas into the specimen chamber, the photoluminesce…
In situ formation of the micro- and mesoporous structures of SBA-15 materials was investigated. It was found that the structure is significantly different from that for cylindrical or hexagonal pores, which suggests that the SBA-15 is more complex than an array of hexagonally ordered channels. Nitrogen adsorption isot…
We report the parameter-free, density functional theory calculations of interatomic exchange interactions and Curie temperatures of half-metallic ferrimagnetic full Heusler alloys Mn 2 V Z (Z = Al, Ge). To calculate the interatomic exchange interactions we employ the frozen-magnon approach. The Curie temperatures are…
The integration of metallic nanostructures with semiconductors is important for a variety of technological applications. Through an efficient galvanic displacement reaction on germanium, complex silver nanostructures form spontaneously in aqueous conditions at room temperature. The structures, termed nano-inukshuks, a…
Modification of the phosphate groups of lipid A with 4-amino-4-deoxy-L-arabinose (L-Ara4N) is required for resistance to polymyxin and cationic antimicrobial peptides in Escherichia coli and Salmonella typhimurium. We previously demonstrated that the enzyme ArnA catalyzes the NAD+-dependent oxidative decarboxylation o…
Scientific study of the effect of structural memory of nonequilibrium defective solids about the processing in magnetic field (the magnetic structural effect (MSE) was continued in this paper. The study was aimed to reveal the universal nature of the MSE, which was investigated in several new nonequilibrium defective…
The theory of charge and spin transport in forward-biased Schottky barriers reveals characteristic and experimentally relevant features. The conductance mismatch is found to enhance the current induced spin-imbalance in the semiconductor. The GaAs|MnAs interface resistance is obtained from an analysis of the magnetic…
Stable porphyrin/single-walled nanotube (SWNT) composites were synthesized by condensation of tetraformylporphyrins and diaminopyrenes on SWNTs. The degree of interaction between SWNTs and porphyrin was evaluated by UV−vis and fluorescence spectra, and chemical removal of porphyrin from SWNTs. In the composites, the S…
We consider dislocations in the framework of Eringen's nonlocal elasticity. The fundamental field equations of nonlocal elasticity are presented. Using these equations, the nonlocal force stresses of a straight screw and a straight edge dislocation are given. By the help of these nonlocal stresses, we are able to calc…
Temperature-dependent radiative recombination of free excitons involving one or two LO phonons in GaN is investigated in detail. It is found that both phonon sidebands possess asymmetric lineshape and their energy spacings from the zero phonon line strongly deviate from the characteristic energy of LO phonons as the t…
We report a photoluminescence observation of robust excitonic polarons due to strong coupling of exciton and longitudinal optical (LO) phonon as well as Fano-type interference in high quality ZnO crystal. At low enough temperatures, the strong coupling of excitons and LO phonons leads to not only traditional Stokes li…