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。
The first 52 fs of a time evolution of the electron density in OCS after an interaction with an intense sub 10 fs laser pulse are studied using the time-dependent density functional theory. The nuclear motion in this linear trimer is simulated by the classical molecular dynamics method. Laser fields of intensity 10^{1…
One-dimensional nonlinear phononic crystals have been assembled from periodic diatomic chains of stainless steel cylinders alternated with Polytetrafluoroethylene (PTFE) spheres. We report the presence of acoustic band gaps in the dispersion relation of the linearized systems and study the transformation of single and…
Several Niobium oxides of formula Ba2LnFeNb4O15 (Ln = La, Pr, Nd, Sm, Eu, Gd) with the Tetragonal Tungsten Bronze (TTB) structure have been synthesised by conventional solid-state methods. The Neodymium, Samarium and Europium compounds are ferroelectric with Curie temperature ranging from 320 to 440K. The Praseodymium…
We investigate the relationship between electronics and geometry in a nonplanar SiGe/Si resonant quantum cavity (RQC) subject to a magnetic field. The transfer matrix technique originally due to Usuki and coworkers (Phys. Rev. B 52, 8244 1995) has been modified to account for the nonzero local curvature of the RQC. Ou…
We investigate the photoconversion of aqueous 8 nm Ag nanocrystal seeds into 70 nm single crystal plate nanoprisms. The process relies on the excitation of Ag surface plasmons. The process requires dioxygen, and the transformation rate is first-order in seed concentration. Although citrate is necessary for the convers…
We report experimental results of ^{75}As and ^{139}La nuclear magnetic resonance (NMR) in the iron-based layered La(O_{1-x}F_{x})FeAs (x= 0.0, 0.04 and 0.11) system. In the undoped LaOFeAs, 1/T_1 of ^{139}La exhibits a distinct peak at T_N ~ 142 K below which the spectra become broadened due to the internal magnetic…
Diffusional limitations of mass transport have adverse effects on engineering tissues that normally have high vascularity and cellularity. The current electrospinning method is not always successful to create micropores to encourage cell infiltration within the scaffold, especially when relatively large-sized pores ar…
We present an algorithm for generating all derivative superstructures---for arbitrary parent structures and for any number of atom types. This algorithm enumerates superlattices and atomic configurations in a geometry-independent way. The key concept is to use the quotient group associated with each superlattice to de…
Predicting the strain hardening properties of crystals constitutes a long-standing challenge for dislocation theory. The main difficulty resides in the integration of dislocation processes through a wide range of time and length scales, up to macroscopic dimensions. In the present multiscale approach, dislocation dyna…
The synthesis of ordered mesoporous metal composites and ordered mesoporous metals is a challenge because metals have high surface energies that favor low surface areas. We present results from the self-assembly of block copolymers with ligand-stabilized platinum nanoparticles, leading to lamellar CCM-Pt-4 and inverse…
The chemical synthesis and photoluminescence properties of either dispersed or supported carbogenic nanoparticles are described. In the first case, ionic nanoparticles are obtained by thermal oxidation of an appropriate citrate salt. In the second, carbogenic nanoparticles decorate the external surfaces of zeolite cry…
Graphene has attracted a lot of interest for fundamental studies as well as for potential applications. Till now, micromechanical cleavage (MC) of graphite has been used to produce high-quality graphene sheets on different substrates. Clear understanding of the substrate effect is important for the potential device fa…
Bacteriochlorins are attractive candidates for photodynamic therapy (PDT) of diverse medical indications owing to their strong absorption in the near-infrared (NIR) region, but their use has been stymied by lack of access to stable, synthetically malleable molecules. To overcome these limitations, a synthetic free bas…
The transport properties of rodlike particles have been of interest since the origins of polymer science. Indeed, Staudinger initially believed that polymers had exclusively this structure, although Onsager soon discounted this possibility through direct computation of the transport properties of slender (ellipsoidal)…
Acyclic anion receptors (BF 2 complexes of dipyrrolyldiketones) with heteroaryl moieties synthesized by using cross-coupling reactions have unique electronic states, as observed in UV/vis absorption spectra. Among heteroaryl-substituted derivatives, a pyrrolyl-substituted receptor exhibits an extremely high affinity f…
The reaction of a cuprous center coordinated to a calix[6]arene-based aza-cryptand with dioxygen has been studied. In this system, Cu(I) is bound to a tren unit that caps the calixarene core at the level of the small rim. As a result, although protected from the reaction medium by the macrocycle, the metal center pres…
We demonstrate n- and p-type field-effect transistors based on Si nanowires (SiNWs) implanted with P and B at fluences as high as 10(15) cm (-2). Contrary to what would happen in bulk Si for similar fluences, in SiNWs this only induces a limited amount of amorphization and structural disorder, as shown by electrical t…
The ever increasing number of protein structures determined by structural genomic projects has spurred much interest in the development of methods for structure-based function prediction. Existing methods can be roughly classified in two groups: some use a comparative approach looking for the presence of structural mo…
Artificial dermis (AD) has been used to regenerate dermis-like tissues in the treatment of full-thickness skin defects, but it takes 2 or 3 weeks to complete dermal regeneration. Our previous study demonstrated that injection of basic fibroblast growth factor (bFGF)-impregnated gelatin microspheres (MS) into the AD ac…
A new class of silica fluorescent nanoparticles (≈30-nm diameter; see image) is described, in which organic fluorescent dyes are physically entrapped inside self-sealed silica nanochannels. The 1D confinement of the dye molecules inside the channels means the dyes can be packed without quenching fluorescence, ≈250 tim…