Materials Literature
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We have carried out first principles structural relaxation calculations on the hydrous magnesium silicate Phase A (Mg7Si2O8(OH)6) under high pressures. Our results show that phase A does not undergo any phase transition upto ~ 45 GPa. We find that non-bonded H--H distance reaches a limiting value of 1.85 angstrom at a…
We review statistical theories and numerical methods employed to consider the sample size dependence of the failure strength distribution of disordered materials. We first overview the analytical predictions of extreme value statistics and fiber bundle models and discuss their limitations. Next, we review energetic an…
We report synthesis and single-crystal measurements of magnetic, transport, and thermal properties of single crystalline ${\text{BaCo}}_{2}{\text{As}}_{2}$ as well as first-principles calculations of the electronic structure and magnetic behavior. These results show that ${\text{BaCo}}_{2}{\text{As}}_{2}$ is a highly…
Silk is an important economic fibre, and is generally considered to have been the exclusive cultural heritage of China. Silk weaving is evident from the Shang period c. 1600–1045 bc , though the earliest evidence for silk textiles in ancient China may date to as much as a millennium earlier. Recent microscopic analysi…
When a quantum dot is subjected to a thermal gradient, the temperature of electrons entering the dot can be determined from the dot's thermocurrent if the conductance spectrum and background temperature are known. We demonstrate this technique by measuring the temperature difference across a 15 nm quantum dot embedded…
We have observed that photoemission from single-walled carbon nanotubes saturates in intensity as the excitation intensity increases. Each emission peak arising from specific-chirality tubes exhibited a saturation value independent of the excitation wavelength, suggesting an upper limit on the exciton density for each…
We investigate the T(3)-gauge theory of static dislocations in continuous solids. We use the most general linear constitutive relations in terms of the elastic distortion tensor and dislocation density tensor for the force and pseudomoment stresses of an isotropic solid. The constitutive relations contain six material…
The functionalization of silver nanoparticles (Ag NPs) by viologen dications (VGDs) is reported in this work as well as their applications in the surface-enhanced Raman scattering (SERS) detection of polycyclic aromatic hydrocarbons (PAHs). VGDs are able to form intermolecular cavities at interparticle junctions (SERS…
Abstract New class of air‐stable catalysts for lactide polymerisation: Guanidine–pyridine hybrid ligands (picture, left) were used to prepare a series of zinc complexes (e.g., depicted cation [ZnL 2 (CF 3 SO 3 )] + , where L is the quinoline‐containing ligand with R 1 =R 2 =R 3 =R 4 =Me), in which the ligand binds thr…
Nanoporous gold (NPG), prepared simply by dealloying Ag from Au/Ag alloy, was used in the present study as a carrier for laccase immobilization. Three immobilization strategies, i.e., physical adsorption, electrostatic attraction, and covalent coupling, were used to immobilize laccase on NPG. A detailed comparison amo…
Constituting a part of odd electrons that are excluded from the covalent bonding, effectively unpaired electrons are posed by the singlet instability of the single-determinant broken spin-symmetry unrestricted Hartree-Fock (UBS HF) SCF solution. A correct determination of the total number of effectively unpaired elect…
The structural and electrical characterizations of mechanically-milled (MM) amorphous fast ionic conductors (a-FICs), viz. xAgI (100-x)[0.67 Ag\_2 O-0.33V\_2O\_5] (x = 40, 50, 55 and 70) have been reported. The amorphisation is restricted only to the compositions which are well within the glass forming region and all…
The adsorption of an alkali-metal submonolayer on graphene occupying every third hexagon of the honeycomb lattice in a commensurate $(\sqrt{3}\ifmmode\times\else\texttimes\fi{}\sqrt{3})R30\ifmmode^\circ\else\textdegree\fi{}$ arrangement induces an energy gap in the spectrum of graphene. To exemplify this type of band…
Single-crystal neutron and high-energy x-ray diffraction measurements have identified the phase lines corresponding to transitions among the ambient-pressure paramagnetic tetragonal (T), the antiferromagnetic orthorhombic (O), and the nonmagnetic collapsed tetragonal (cT) phases of ${\text{CaFe}}_{2}{\text{As}}_{2}$.…
Without bioadhesive delivery devices, complex compounds are typically degraded or cleared from mucosal tissues by the mucous layer.While some chemically modified, microstructured surfaces have been studied in aqueous environments,adhesion due to geometry alone has not been investigated. Silicon nanowire-coated beads s…
Monodisperse AuAg alloy NPs were synthesized by a one-pot approach with composition control. Oleylamine was used as the surfactant and was readily removed. The AuAg alloy NPs show the compositional dependent plasmonic absorptions and catalytic CO oxidation, indicating their great potentials as optical probes for bioim…
A gamma-alumina-supported silver cluster catalyst--Ag/Al(2)O(3)--has been shown to act as an efficient heterogeneous catalyst for oxidant-free alcohol dehydrogenation to carbonyl compounds at 373 K. The catalyst shows higher activity than conventional heterogeneous catalysts based on platinum group metals (PGMs) and c…
In this communication, we have demonstrated that SiO(2) nanoparticles can be generated by simply scratching the quartz or silicon wafer with a SiO(2) layer and confirmed it to be active for the growth of SWNTs for the first time. Furthermore, the SWNTs from SiO(2) has a much narrower size distribution. This may open a…
A method to suppress the photocorrosion of ZnO nanoparticles was developed by surface hybridization of ZnO with graphite-like carbon layers. The presence of carbon on the surface of the ZnO could significantly suppress the coalescence and crystal growth of ZnO nanoparticles during high-temperature treatment. The nanos…
We investigate the dynamics of kinetically constrained models of glass formers by analysing the statistics of trajectories of the dynamics, or histories, using large deviation function methods. We show that, in general, these models exhibit a first-order dynamical transition between active and inactive dynamical phase…