Materials Literature
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The rate at which dislocations nucleate from spherical voids subjected to shear loading is predicted from atomistic simulation. By employing the latest version of the finite temperature string method, a variational transition state theory approach can be utilized, enabling atomistic predictions at ordinary laboratory…
There is interest in the enlarging of the bulk, transparent ceramics family. Polycrystalline ZnAl 2 O 4 may constitute a useful addition to the existent set of such materials. The objective of this work was the development of a technology allowing the fabrication of bulk, polycrystalline, transparent ZnAl 2 O 4 parts.…
The Leibniz‐Institut für Analytische Wissenschaften–ISAS–e.V. recently acquired a new XPS system from SPECS for measurements at near atmospheric pressures and using a conventional laboratory X‐ray source (Al Kα and Mg Kα). This allows the in situ analysis of gas–surface interactions under reaction conditions to study,…
Benzotriazole (BTA) is an inhibitor molecule, commonly used to protect copper and copper‐based archaeological artefacts from degradation processes such as the ‘bronze disease’. The aim of the present work was to study in details the inhibition mechanism of the BTA molecule on pure copper and copper–tin alloy (called C…
Quantum dots-based electron donor-acceptor systems play a rising role in the design of renewable and carbon-free energy harvesting technologies. In this article, we discuss the photofabrication of fullerene-shelled quantum dots supramolecular nanoparticles, in which the fullerene shell acts as not only a well-defined…
Building a high-quality trilayer graphene sheet into a dual-gate field-effect transistor and measuring its electronic properties, three physicists from California Institute of Technology reveal a number of new findings about the trilayer graphene, which includes a sequence of quantum Hall plateaus seen for the first t…
We demonstrate spectral and polarization modulation of chemically synthesized core-shell CdSe/ZnS quantum dots (QDs) embedded in a one-dimensional photonic cavity formed by a cholesteric liquid crystal (CLC) matrix. A Cano-wedge cell varies the pitch of the CLC leading to the formation of Grandjean steps. This spatial…
The sensing potential of CuO nanoparticles synthesized via precipitation from a water/ionic liquid precursor (ILP) mixture was investigated. The particles have a moderate surface area of 66 m(2)/g after synthesis, which decreases upon thermal treatment to below 5 m(2)/g. Transmission electron microscopy confirms cryst…
The antitumor activities of triazine dendrimers bearing paclitaxel, a well-known mitotic inhibitor, are evaluated in SCID mice bearing human prostate cancer xenografts. To increase the activity of a first generation prodrug 1 that contained twelve paclitaxel molecules tethered via an ester linkage, the new construct d…
Small multilayer fullerenes, also known as carbon nano-onions (CNOs; 5-6 nm in diameter, 6-8 shells), show higher reactivity than other larger carbon nanostructures. Here we report the first example of an in situ polymerization of aniline on phenyleneamine-terminated CNO surfaces. The green, protonated, conducting eme…
The goal of this work is to study via molecular simulations the wetting kinetics of a rough surface by an oily fluid. We use forward flux sampling to compute the wetting transition rate and elucidate the transition mechanism of a small droplet on a surface of nails. The nails provide the re-entrant geometry necessary…
Stimulating the hunger of enzymes: The design of an ionic liquid that has the ability to dissolve cellulose has been attempted from the viewpoint of a cellulase. N,N-diethyl-N-(2-methoxyethyl)-N-methylammonium alanine ([N221ME][Ala]) is a good solvent for cellulose. Dissolution in [N221ME][Ala] converts the crystallin…
Janus nanosheets of polymer–inorganic layered composites are fabricated by crushing the corresponding Janus composite hollow spheres, which are synthesized by materialization of an amphiphilic emulsion interface with self-organized sol–gel process and subsequent polymer grafting onto the lipophilic side. The Janus com…
We performed the neutron powder diffraction (NPD) and synchrotron x-ray diffraction measurements on CeFeAsO${}_{1\ensuremath{-}x}$(D,H)${}_{x}$ ($x$ $=$ 0.0 \ensuremath{-} 0.48) as a representative of 1111-type family of iron-based superconductors $Ln$FeAsO${}_{1\ensuremath{-}x}$H${}_{x}$ ($Ln$ $=$ lanthanoid). Deuter…
We present a generic and versatile method for functionalization of disulfide-stabilized PMA hydrogel capsules (HCs) with macromolecules, including a number of specific antibodies to cancer cells. Functionalization was achieved by reversible addition-fragmentation chain transfer (RAFT) polymerization of poly(N-vinyl py…
The fabrication, detailed characterization, and molecular transport properties of nanocomposite membranes containing high fractions (up to 40 vol %) of individually-dispersed aluminosilicate single-walled nanotubes (SWNTs) in poly(vinyl alcohol) (PVA), are reported. The microstructure, SWNT dispersion, SWNT dimensions…
A new noncentrosymmetric polyborate, Ba(2)[B(6)O(9)(OH)(4)], has been synthesized under a hydrothermal condition. The polyborate contains chiral layers constructed by two kinds of helical chains and also form new B(18)O(42) circles based on B(3)O(8) units [(3: Δ+2T)]. One kind of Ba atom locates in the cavity surround…
The multistage Rh-catalyzed dehydrocoupling of the secondary amine-borane H(3)B·NMe(2)H, to give the cyclic amino-borane [H(2)BNMe(2)](2), has been explored using catalysts based upon cationic [Rh(PCy(3))(2)](+) (Cy = cyclo-C(6)H(11)). These were systematically investigated (NMR/MS), under both stoichiometric and cata…
Nature exploits sustainable methods for the creation of inorganic materials on the nanoscale for a variety of applications. To achieve such capabilities, biomolecules such as peptides and proteins have been developed that recognize and bind the different compositions of materials. While a diverse set of materials bind…
We present a first-principles study of the confinement effects on the vibrational properties of thousand atoms (radii up to 16.2 \AA{}) colloidal III-V and II-VI nanoclusters. We describe how the molecular-type vibrations, such as surface-optical, surface-acoustic, and coherent acoustic modes, coexist and interact wit…