Materials Literature
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An ab initio calculation on the pristine and silicon-doped (5,5) boron nitride nanotube was performed. It was found that the silicon substitution for either a single boron or a single nitrogen atom in the (5,5) BN nanotube can induce spontaneous magnetization, and the local symmetry of the system is broken by the sili…
We measure the liquid content, the bubble speeds, and the distribution of bubble sizes, in a vertical column of aqueous foam maintained in steady state by continuous bubbling of gas into a surfactant solution. Nearly round bubbles accumulate at the solution/foam interface, and subsequently rise with constant speed. Up…
Self-assembly processes and subsequent photo-cross-linking were used to generate cross-linked, ordered microporous structures on the surfaces of well defined four-arm star-shaped poly(D,L-lactide) (PDLLA) thin films. The four-arm star-shaped PDLLAs were synthesized using an ethoxylated pentaerythritol initiator. Solut…
We have studied the growth dynamics of ultrasmooth hydrogenated amorphous carbon films deposited on silicon substrates by electron cyclotron resonance chemical vapor deposition from argon/methane gas mixtures applying a high negative external bias. The surface morphology of films deposited for different growth times u…
Density functional theory and classical molecular dynamics simulations are used to investigate the prospect of lithium-doped corannulene as adsorbent material for H(2) gas. Potential energy surface scans at the level of B3LYP/6-311G(d,p) show an enhanced interaction of molecular hydrogen with lithium-atom-doped corann…
Electron bombardment from a filament as well as voltage pulses from a scanning tunnelling microscope tip have been employed to modify the surface of TiO 2 (110). Individual H atoms are selectively desorbed with electrical pulses of +3 V from the scanning tunnelling microscope tip, whilst leaving the oxygen vacancies i…
Very different materials are named ‘Glass’, with Young's modulus E and Poisson's ratio ν extending from 5 to 180 GPa and from 0.1 to 0.4, respectively, in the case of bulk inorganic glasses. Glasses have in common the lack of long range order in the atomic organization. Beside the essential role of elastic properties…
This review article focuses on the structures and properties of novel hybrid nanocarbon materials, which are created by incorporating atoms and molecules into the hollow spaces of carbon nanotubes (CNTs); thus they are called nanopeapods. After dealing with synthesis procedures, we discuss the structures and electroni…
PPh(2)-functionalized SBA-15 was synthesized by co-condensation of tetraethyl orthosilicate and 2-(diphenylphosphino)ethyltriethoxysilane through prehydrolysis. The as-prepared PPh(2)-SBA-15 was used as the support to immobilize the Ru(II) organometallic catalyst through the strong coordination between the Ru(II) and…
We study proton diffusion in amorphous SiO2 from the atomic scale to the long-range percolative regime. Ab initio molecular dynamics suggest that the dominant atomic process consists in cross-ring interoxygen hopping assisted by network vibrations. A statistical analysis accounting for the disorder in amorphous SiO2 y…
Recently, an unusual integer quantum Hall effect was observed in graphene in which the Hall conductivity is quantized as ${\ensuremath{\sigma}}_{xy}=(\ifmmode\pm\else\textpm\fi{}2,\ifmmode\pm\else\textpm\fi{}6,\ifmmode\pm\else\textpm\fi{}10,\dots{})\ifmmode\times\else\texttimes\fi{}{e}^{2}∕h$, where $e$ is the electro…
A method of calculating the number and nature of rigid unit modes (RUMs) in linearly bridged framework structures is presented. Using this approach, it is shown that linearly bridged framework structures inherently possess large degrees of structural flexibility, irrespective of their connectivity (i.e., framework top…
The local spin-density functional approximation is increasingly being used for materials applications such as predicting structural and magnetic properties. The recently aquired ability to model low-lying magnetic excitations like magnons is used for deriving useful formulae to estimate the Curie (Neel) temperatures o…
Deconvolution of the absorption spectrum of single-walled carbon nanotubes (SWNTs) into distinct (n,m) contributions is complicated because transition energies are closely spaced. The algorithm presented in this work attempts to simplify the problem by grouping nanotubes with similar transition energies and assigning…
(La 0.75 Sr 0.25 )Cr 0.5 Mn 0.5 O 3- δ (LSCM) has recently been shown to be an efficient redox stable anode for solid oxide fuel cells (SOFCs). The structure of LSCM has been investigated by X-ray diffraction and neutron diffraction to further understand its properties under SOFC operating conditions. Samples were pre…
A significant body of evidence indicates that particles with excessively high or low mobility relative to Brownian particles form in dynamic equilibrium in glass-forming liquids. We examine whether these "dynamic heterogeneities" can be identified with a kind of equilibrium polymerization. This correspondence is first…
A novel synergistic effect during supramolecular host−guest encapsulations of core−shell amphiphilic hyperbranched polymers to two kinds of dyes was reported. Two kinds of palmityl chloride-modified hyperbranched polymer, polyamidoamine (HPAMAM10K-C16) and poly(sulfone−amine) (HPSA11K-C16), were used as the hosts of s…
Hollow cadmium molybdate microspheres have been successfully prepared via a template-free aqueous solution method with the assistance of NaCl at room temperature. The structure and morphology of the CdMoO(4) hollow microspheres were characterized by X-ray diffraction, field-emission scanning electron microscopy, and t…
The aim of this work is to further improve the molecular generality and substrate generality of SERS (i.e., to fully optimize the SERS activity of transition-metal electrodes). We utilized a strategy of borrowing high SERS activity from the Au core based on Au-core Pt-shell (Au@Pt) nanoparticle film electrodes, which…
We present here a facile method for the preparation of TiO2-based superhydrophobic surfaces. It consists of two steps: (1) roughening of the TiO2 surface with a rf (radio frequency) plasma with CF4 as an etchant and (2) modification of the roughened TiO2 surface with an octadodecylphosphonic acid (ODP) monolayer. Plas…