Materials Literature
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In glassy materials, aging proceeds at large times via thermal activation. We show that this can lead to negative dynamical response functions and novel and well-defined violations of the fluctuation-dissipation theorem, in particular, negative fluctuation-dissipation ratios. Our analysis is based on detailed theoreti…
Nanocable models comprised of BN nanotubes filled with close-packed Cu nanowires were investigated by gradient-corrected density functional theory (DFT) computations. The optimal distance between the sidewall of BN nanotubes and the atoms in a copper nanowire is about 0.35 nm, with a weak insertion energy (ca. -0.04 e…
In this study, a modelization of the viscoplastic behavior of amorphous polymers is proposed, from an approach originally developed for metal behavior at high temperature, in which state variable constitutive equations have been modified. A procedure for the identification of model parameters is developed through the…
Nanocomposite films containing Au nanoparticles embedded in a polymer matrix were prepared by vapour phase co-deposition of Au and polymers (Teflon AF and Poly(-methylstyrene)) in high vacuum. The microstructure of the composite materials as well as metal content strongly depend on the condensation coefficient of the…
We describe a general synthetic strategy for the preparation of a series of macrocyclic chiral manganese(III) salen complexes. The developed reaction pathway allows the modulation of the different key groups, namely, the chiral diimine, the bulky substituents in positions 3 and 3', and the linker used in the macrocycl…
A Au/Ni(111) surface alloy catalyzes the oxidation of CO at low temperature by at least three distinct mechanisms. At the lowest temperature of 70 K, molecularly adsorbed O2, spectroscopically characterized as peroxo or superoxo species bound at multiple sites with vibrational frequencies of 865 and 950 cm-1, is the r…
A synthetic water-soluble meso-tetra(2,6-dichloro-3-sulfonatophenyl)porphyrinate of iron(lll) chloride (FeP) was used as biomimetic catalyst in the oxidative coupling of three monomeric phenols (catechol, caffeic, and p-coumaric acids), which are common constituents of natural humic substances. The extent of oxidation…
In this paper we investigate the electronic structure and the thermopower for $\mathrm{Ni}({\mathrm{Ti}}_{0.5}{\mathrm{Hf}}_{0.5})\mathrm{Sn}$ and related half-Heusler compounds. Two different methods have been used to calculate the electronic structure, i.e., full potential linearized augmented plane wave method for…
Shape memory alloys (SMAs) have great potential for use in the field of civil engineering. The authors of this paper have been involved, from 1996, in several experimental and theoretical studies of the application of SMAs in civil engineering, for national and international research projects. This paper provides an o…
X-ray diffraction has been used to study the epitaxy and lattice expansion of thin films grown coherently on by kinetically controlled sequential deposition. The coherent growth of on Si produces films with greater in-plane compressive strain than previously attained, %. The measured expansion of the out-of-plane latt…
We demonstrate that a transition from a compact geometry (sphere) to a structured geometry (several spheres connected by nanoconduits) in nanotube-vesicle networks (NVNs) induces an ordinary enzyme-catalyzed reaction to display wavelike properties. The reaction dynamics can be controlled directly by the geometry of th…
A geometry-based density-functional theory is presented for mixtures of hard spheres, hard needles, and hard platelets; both the needles and platelets are taken to be of vanishing thickness. Geometrical weight functions that are characteristic for each species are given, and it is shown how convolutions of pairs of we…
Various enzymes are encapsulated in ordered mesoporous silica analogous to a fish in a net, where the enzymes are entrapped in macroporous cages that are connected by uniform mesoporous channels (see Figure). Most importantly, these encapsulated enzymes act as nanoreactors, showing not only comparable activities with…
Systematic analysis of extensive experimental data confirms the theoretical prediction of three intrinsic relationships of lattice parameters between the recently discovered intermediate monoclinic ${\mathrm{M}}_{\mathrm{C}}$ phase and the conventional tetragonal phase in ferroelectric $\mathrm{Pb}[{({\mathrm{Mg}}_{1∕…
Electro-oxidation of methanol on NiO-promoted Pt ∕ C and Pd ∕ C catalysts in alkaline media was studied. Such electrocatalysts are superior to pure Pt or Pd electrocatalysts. Electrochemical measurements revealed that the addition of NiO into Pt ∕ C or Pd ∕ C catalysts could significantly improve electrode performance…
The temperature and photoexcitation density dependences of the electron transport dynamics in electrolyte-filled mesoporous ${\mathrm{TiO}}_{2}$ nanoparticle films were investigated by transient photocurrent measurements. The thermal activation energy of the diffusion coefficient of photogenerated electrons ranged fro…
One-dimensional nanocomposite colloids are prepared by means of electrostatic self-assembly of CdTe nanocrystals on both carbon nanotubes (CNTs) and silica-coated CNTs (see Figure). The dense coverage of these linear nanoparticle assemblies minimizes the spacing between the nanocrystals, thereby facilitating efficient…
The syntheses of monotetrathiafulvalene-calix[4]pyrrole 5 and bistetrathiafulvalene-calix[4]pyrrole 6, prepared from the acid-catalyzed condensation of monopyrrolo[3,4-d]tetrathiafulvalene (MPTTF, 7) with acetone in the presence of tripyrrane 8 and dipyrromethane 9, respectively, are described. Compound 5 and the prev…
Large-area amorphous calcium carbonate (ACC) films in air are shown to be transformed into crystalline calcium carbonate (CaCO(3)) films via two modes-dissolution-recrystallization and solid-solid phase transition-depending on the relative humidity of the air and the temperature. Moisture in the air promotes the trans…
Effect of temperature on interfacial sliding in single-walled carbon nanotube polycarbonate composites is investigated experimentally. We show that interfacial slip at the tube-polymer interfaces can be activated at relatively low dynamic strain levels ( approximately 0.35%) by raising temperature to approximately 90…