Materials Literature
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Abstract Chitosan, as a novel bioadditive antioxidant for commodity polymer, is proposed. Chitosan is successfully conjugated with deoxycholic acid and gallic acid (chitosan‐DC‐GA) via a simple reaction using the 1‐ethyl‐3‐(3′‐dimethylaminopropyl) carbodiimide/ N ‐hydroxysuccinimide conjugating agent at room temperatu…
The use of an approximate reference state wave function mid R:Phi(r) in electronic many-body methods can break the spin symmetry of Born-Oppenheimer spin-independent Hamiltonians. This can result in significant errors, especially when bonds are stretched or broken. A simple spin-projection method is introduced for aux…
This work reports the results of an extensive search for ferromagnetism in SnO2 doped with a wide range of transition metal cations (M=V, Cr, Mn, Fe, Co, and Ni). By varying the dopant concentration in the 0–12% range, signatures of ferromagnetic behavior in varying degrees were observed with most dopants. The room te…
By calculating free energies, several published interatomic interaction potentials for iron are investigated with respect to the stability of the low-temperature bcc phase and the high-temperature fcc phase. These are empirical many-body potentials for use in atomistic simulation. We find that in all of these potentia…
All wired up! High-quality colloidal PbS and CdS nanowires were grown from Bi nanoparticles by the solution–liquid–solid (SLS) mechanism. The single-source-precursor strategy could provide a general approach for the synthesis of colloidal semiconductor nanowires.
Based on the successful use of silk scaffolds in bone tissue engineering, we examined their utility for mineralized dental tissue engineering. Four types of hexafluoroisopropanol (HFIP) silk scaffolds-(250 and 550 microm diameter pores, with or without arginine-glycine-aspartic acid (RGD) peptide) were seeded with cul…
This article summarizes the general structural features and important properties of quasicrystals, a relatively new class of materials belonging to solid-state substances. Quasicrystals, which have a long-range quasiperiodic order but no three-dimensional translational periodicity, are structurally different from both…
Contrary to interstitial metal hydrides, where the thermodynamic stability of the metal hydride can be tuned by substitutions on the metal lattice, few examples of such substitutions have been reported for complex hydrides. The present paper shows a new and alternative approach to affect the stability of complex hydri…
The enormous species diversity of diatoms correlates with the remarkable range of cell sizes in this group. Nuclear DNA content relates fundamentally to cell volume in other eukaryotic cells. The relationship of cell volume to G1 DNA content was determined among selected members of the genus Thalassiosira, one of the…
The synthesis and structural study of the stoichiometric perovskite La 0.5 Ba 0.5 CoO 3 have allowed three forms to be isolated. Besides the disordered La 0.5 Ba 0.5 CoO 3 and the perfectly ordered layered LaBaCo 2 O 6, a third form called nanoscale-ordered LaBaCo 2 O 6 is obtained. As evidenced by transmission electr…
Abstract Poly(vinylidene fluoride) (PVDF) was electrospun into ultrafine fibrous membranes from its solutions in a mixture of N , N ‐dimethylformamide and acetone (9:1, v/v). The electrospun membranes were subsequently treated by continuous hot‐press at elevated temperatures up to 155°C. Changes of morphology, crystal…
The nucleation and growth of three-dimensional superlattices of gold nanoparticles has been followed directly in situ by means of small angle x-ray scattering. These assemblies spontaneously form in a dilute solution providing the particles are large enough to generate a van der Waals driven attraction sufficient to c…
The impact of microbial activity on biofilm calcification in aquatic environments is still a matter of debate, especially in settings where ambient water has high CaCO3 mineral supersaturation. In this study, biofilms of two CO2-degassing karst-water creeks in Germany, which attain high calcite supersaturation during…
We present the ReaxFF reactive force field developed to provide a first-principles-based description of oxygen ion transport through yttria-stabilized zirconia (YSZ) solid oxide fuel cell (SOFC) membranes. All parameters for ReaxFF were optimized to reproduce quantum mechanical (QM) calculations on relevant condensed…
Desorption kinetics of methanol on Au(111) and the oxidation of methanol on atomic oxygen pre-covered Au(111) have been investigated employing temperature programmed desorption (TPD) and molecular beam reactive scattering (MBRS). On clean Au(111), methanol is weakly adsorbed and desorbs molecularly. Three adsorption s…
Abstract NaBH 4 · 2H 2 O and NaBH 4 were studied by single‐crystal X‐ray diffraction and vibrational spectroscopy. In NaBH 4 · 2H 2 O, the BH 4 – anion has a nearly ideal tetrahedral geometry and is bridged with two Na + ions through the tetrahedral edges. The structure does not contain classical hydrogen bonds, but r…
Oxidation ohne Organik: Ein Tetraruthenium-Polyoxometallat-Hybrid (siehe Bild; Ru blau, O rot, Si gelb, W schwarz) katalysiert die schnelle Oxidation von H2O zu O2 bei Raumtemperatur. Der unter den Reaktionsbedingungen stabile Komplex wurde unter anderem kristallographisch und cyclovoltammetrisch charakterisiert.
The structural, dynamical and dielectric properties of the cubic phase of perovskite barium stannate BaSnO3, a potential candidate as protonic conductor for solid oxide fuel cells, have been investigated by the means of first-principles density functional calculations, and the structural and electrical properties have…
Shell cross-linked (SCL) thermoresponsive hybrid micelles consisting of a cross-linked thermoresponsive hybrid hydrophilic shell and a hydrophobic core domain were synthesized from poly(N-isopropylacrylamide-co-3- (trimethoxysilyl)propyl methacrylate)-b-polymethyl methacrylate (P(NIPAAm-co-MPMA)-b-PMMA) amphiphilic bl…
The annealing behavior of poly( l -lactic acid) (PLLA) and poly( d -lactic acid) (PDLA) single crystals was investigated in order to reveal the mechanism of chain diffusion in their solid states, below their melting points. The structural changes of the sedimented single-crystal mats on continuous heating were followe…