Materials Literature
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Macromolecular engineering is presented as a tool to control the degradation rate and release rate of acidic degradation products from biomedical polyester ethers. Three different caprolactone/1,5-dioxepan-2-one (CL/DXO) copolymers were synthesized: DXO/CL/DXO triblock, CL/DXO multiblock, and random cross-linked CL/DX…
The use of the isoconfigurational ensemble to explore structure-dynamic correlations in supercooled liquids is examined. The statistical error of the dynamic propensity and its spatial distribution are determined. The authors present the spatial distribution of the particle non-Gaussian parameter as a measure of the i…
Though often considered as one of the main driving processes of the complexation of species of opposite charges, the release of counterions has never been experimentally directly measured on polyelectrolyte/proteins complexes. We present here the first structural determination of such a release by small angle neutron…
Abstract This paper gives an overview of theoretical and experimental results on Raman‐active optical phonon modes confined in nearly spherical nanocrystals (NCs) of polar semiconductor materials with cubic crystal structure. A systematic consideration of the effect of reduced dimensionality on both electrons and phon…
The 20 π-electron nonaromatic isophlorin 2 had been successfully isolated and thoroughly characterized and was formed by reduction of Cu(II) β-tetrakis(trifluoromethyl)- meso -tetraphenylporphyrin ( Cu1 ) with activated zinc powder. However, the reaction utilizing Ni(II) β-tetrakis(trifluoromethyl)- meso -tetraphenylp…
We propose a novel approach to the problem of polarizabilities and dissociation in electric fields from the static limit of the Vignale-Kohn (VK) functional. We consider the response to the purely scalar part of the VK response potential.This potential has ground-state properties that notably improve over the full VK…
We show that nanoconfinement is a handle to rationally produce and stabilize otherwise metastable or transient polymorphs of pharmaceuticals, as required for controllable and efficient drug delivery. The systematic investigation of crystallization under confinement unveils thermodynamic properties of metastable polymo…
Wet, wet, wet: A responsive surface is presented that can switch between stable superhydrophilic, metastable superhydrophobic, and stable superhydrophobic states by an enthalpy-driven process (see picture). This macroscopic phenomenon of surface wettability originates from the coordinative effect of the collective nan…
We report on a detailed analysis of the transport properties and superconducting critical temperatures of boron-doped diamond films grown along the {100} direction. The system presents a metal-insulator transition (MIT) for a boron concentration $({n}_{B})$ on the order of ${n}_{c}\ensuremath{\sim}4.5\ifmmode\times\el…
We discuss the relationship between modern time-dependent density functional theory and earlier time-periodic versions, and why the criticisms in a recent paper (Chem. Phys. Lett. {\bf 433} (2006) 204) of our earlier analysis (Chem. Phys. Lett. {\bf 359} (2002) 237) are incorrect.
Coarsening kinetics is usually described using a linear gradient approximation for the underlying interface migration (IM) rates, wherein the migration fluxes at the interfaces vary linearly with the driving force. Recent experimental studies have shown that coarsening of nanocrystalline interface microstructures is u…
To synthesize a new superconductor which has a critical temperature, Tc, exceeding the room temperature, one needs to know what chemical components to start with. This chapter presents analysis of experimental data which allow one to draw a conclusion about components and the structure of a potential room-temperature…
SEMICONDUCTOR NANOCRYSTALS (NANOCRYSTAL QUANTUM DOTS) Soft Chemical Synthesis and Manipulation of Semiconductor Nanocrystals, J.A. Hollingsworth and V.I. Klimov Electronic Structure in Semiconductor Nanocrystals, D.J. Norris Fine Structure and Polarization Properties of Band-Edge Excitons in Semiconductor Nanocrystals…
The adsorption of simple benzene derivatives composed of a benzene ring with $\mathrm{N}{\mathrm{O}}_{2}$, $\mathrm{C}{\mathrm{H}}_{3}$, or $\mathrm{N}{\mathrm{H}}_{2}$ functional groups on a semiconducting single-wall carbon nanotube is studied using the density-functional theory within the local-density approximatio…
Gelatine - An Element of Our Life. 1 Introduction. 1.1 Gelatine - Yesterday, Today, and Tomorrow. 1.1.1 The Future of Gelatine Has Just Begun - Its Multi-faceted History Is Proof. 1.1.2 It All Began with Glue. 1.1.3 Pure Luxury for Kings and Aristocrats. 1.1.4 During the Napoleonic Wars, Gelatine Was Systematically Re…
<div class="htmlview paragraph">An electrochemical testing protocol for assessing the intrinsic corrosion-resistance of creep-resistant magnesium alloys in aqueous environments, and effects of passivating surface films anticipated to develop in the presence of engine coolants is under development. This work repo…
<div class="htmlview paragraph">Hot-formed steels (here called “Boron steels”) offer a great weight saving potential versus conventional cold-formed steels used for crash relevant structural parts.</div> <div class="htmlview paragraph">Boron steels allow complex shaped parts due to the hot-forming pr…
<div class="htmlview paragraph">In order to enhance the catalytic performance of the NOx Storage-Reduction Catalyst (NSR Catalyst), the sulfur tolerance of the NSR catalyst was improved by developing new support and NOx storage materials. The support material was developed by nano-particle mixing of ZrO<sub&g…
<div class="section abstract"><div class="htmlview paragraph">Modern diesel aftertreatment systems may produce ammonia (NH<sub>3</sub>), especially in gas samples from midbed locations. NH<sub>3</sub> causes significant measurement errors in NO, NO<sub>2</sub>, and NOx m…
<div class="htmlview paragraph">More than twenty years have passed since we invented polymer-clay nanocomposites (PCN), in which only a few wt.-% of silicate is randomly and homogeneously dispersed in the polymer matrix. When molded, these nanocomposites show superior properties compared to pristine polymers suc…