Materials Literature
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Intrinsic defects, including single vacancy and Stone−Wales defects in a finite-length (8, 0) BN tube are investigated using density functional theory calculations. It is found that the stabilities of all defects are enhanced as they get close to the tube ends. We propose the possible physical origins for the defect e…
Thinning rates of liquid lamellae in surfactant-free non-Newtonian gas–liquid foams, appropriate for ceramic or polymer melts and also in metals near the melting point, are derived in two dimensions by matched asymptotic analysis valid at small capillary number. The liquid viscosity is modelled (i) as a power-law func…
The nano-electron beam assisted fabrication of atomically sharp iron-based tips (see figure) and the creation of a nano-soldering iron for nano-interconnects using Fe-filled multiwalled carbon nanotubes (MWCNTs) is reported. The technique allows carving of a MWCNT and a control of the flow of the encapsulated metal ou…
Multiwalled carbon nanotubes (MWCNTs) with uniform diameters (10−20 nm) and high densities per unit area were synthesized in a 5−10 s combustion process using a mixture of butane and air at 880 °C. The growth mechanism of MWCNTs was studied via time-sequence experiments to reveal that the catalyst nanoparticles were f…
We have synthesized for the first time thiol-monolayer-protected gold nanoparticles (MPCs) by the process of electrochemical dissolution of gold in an ethanol-water mixture. The MPCs have been formed both with and without NaBH4 as a reducing agent. The well-dispersed thiol-capped MPCs were characterized by UV-visible…
A novel dimeric supramolecular structure, {Zn[Pc(α-OC 5 H 11 ) 4 ]·H 2 O} 2, formed from two molecules of 1,8,15,22-tetrakis(3-pentyloxy)phthalocyaninato zinc complex was revealed by X-ray single crystal analysis. With the help of the oxygen atom from the alkoxy substituent attached at the nonperipheral position of th…
New lead free ceramics derived from the ferroelectric material BaTiO3 by substituting Ti4 + by Nb5 + and Yb3 +. The dielectric and ferroelectric properties were studied. The compositions BaTi1 − x (Nb0.5Yb0.5) x O3 display a classical ferroelectric (0 ≤ × < 0.1) and relaxor ferroelectric behaviour (0.1 ≤ × ≤ 0.2). BaT…
Thermal desorption spectrometry (TDS) is used to measure cross sections for reactions induced in condensed thin films of acetaldehyde by low-energy electrons with incident energies ranging from 4 to 15 eV. The obtained values for the decay of acetaldehyde and the formation of CO and CH 4 are in reasonable agreement wi…
A new parameter “relative crystallizability” for protein crystallization has been proposed, and its relationship with protein solubility and crystallization success has been studied (Zhu et al. J. Struct. Biol. 2006, 154, 297). Here we further construct the phase diagrams of a larger number of proteins, study the phas…
We investigate the electronic structures and electron emission properties of alkali-doped boron-nitride nanotubes (BNNTs) using density-functional theory calculations. We find that the nearly free-electron (NFE) state of the BNNT couples with the alkali atom states, giving rise to metallic states near the Fermi level.…
The effect of Co-doping in non-stoichiometric Ni–Mn–Ga alloys on martensitic transformation temperatures is investigated. Experimental results show that the effect of Co addition on martensitic transformation temperatures is remarkable, but the Heusler structure of the alloys remains unchanged. For Ni 48 Mn 27 Ga 25−…
In situ Zn K-edge XANES experiments were performed to investigate the thermal evolution of the non-equilibrium state in nano-sized ZnFe2O4. The initially disordered ferrite was annealed under oxygen atmosphere and kept at temperatures of 673, 773 and 873 K. Modifications of the XANES features allowed the direct detect…
Compounds containing electrically conducting macromolecules bear interesting properties as functional materials in various fields. As for catalytic applications, however, principles are scarcely, if at all, understood. Here we describe a systematic investigation of the relationship between the structure of a new type…
The outer-sphere one-electron oxidation reaction of the Cu(II) and Zn(II) complexes of nonplanar 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin and planar porphycenes as well as those of 2,3,7,8,12,13,17,18-octaethylporphyrin and 5,10,15,20-tetraphenylporphyrin by Cu2+ giving corresponding π-cation radi…
In this work, density functional theory (DFT) was performed to investigate hydrogen storage in Li-functionalized p-tert -butyl calixarene (LTBC). Calculations based on DFT show that Li-functionalized calixarene significantly improves the average binding energy of hydrogen molecules. Each Li-functionalized calixarene m…
Raman spectra and some optical properties (pseudogap Eg*, refractive index n) of As40S60 − xSex(x = 0, 10, 15, 20) glasses and thin films have been studied. The analysis of the Raman spectra has enabled us to make a conclusion about the microheterogeneous model of the glass and thin film local structure. The types of…
Abstract C ‐axis oriented thin films of SrBi 4 Ti 4 O 15 were prepared by a chemical solution deposition method. The influence of precursor chemistry and processing conditions on the resulting film morphology and the dielectric properties of SrBi 4 Ti 4 O 15 thin films were investigated. By controlling the film format…
Visualization of as-grown domain patterns and local polarization reversal were carried out in ferroelectric single crystals Pb5Ge3O11 and LiNbO3 using scanning probe microscopy. The piezoresponse force microscopy (PFM) was used for domain imaging. The problem of PFM background signal smearing the domain contrast was s…
The structure and dielectric properties of (As 2 S 3 ) 100 − x (SbSI) x glasses and their transformation during the heat treatment have been investigated. It has been determined that all glassy alloys have a microgeterogeneous structure. It has been shown that anomalies on the temperature dependences of dielectric per…
Low-temperature adsorption of carbon monoxide on an ordered periodic mesoporous organosilica (1,4-phenylenesilica PMO) was studied by means of infrared spectroscopy and theoretical calculations on cluster models. Basically, three types of adsorbed CO species were found to be simultaneously formed at a low CO coverage:…