Materials Literature
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(BiFeO 3 ) 1− x –(PbTiO 3 ) x solution films have been prepared on LaNiO 3 /SiO 2 /Si substrates by the sol–gel process at an annealing temperature of 500 °C. X-ray diffraction patterns indicate that a cubic phase transition occurs in the film with x = 0.1. Cross section scanning shows the thickness of the films is ab…
Abstract An overview of the ONETEP (Order‐ N Electronic Total Energy Package) code is presented, focusing on the twin aims of overall linear scaling and controlled accuracy. The method is outlined, including a description of the density‐matrix formulation of density‐functional theory, and the optimisation procedures f…
Hold on tight: Pyrene-labeled poly(dimethylaminoethyl methacrylate) (Pyr-PDMAEMA) was synthesized as a multidentate ligand for CdSe nanocrystals (NCs, see picture). The mean number of polymers that bind to each NC can be determined by a quantitative analytical method based on size-exclusion chromatography. Spectroscop…
The interconversion of phosphoenolpyruvate and pyruvate represents an important control point of the Embden-Meyerhof-Parnas (EMP) pathway in Bacteria and Eucarya, but little is known about this site of regulation in Archaea. Here we report on the coexistence of phosphoenolpyruvate synthetase (PEPS) and the first descr…
We have developed an interdigited electrode structure for applying a static electric field to a ferroelectric thin film, which enables nearly full transmission of a perpendicularly polarized terahertz wave. This approach has been used to determine the electric field dependence of the complex permittivity of a SrTiO3 t…
We report the calculations of the Vickers hardness of five predicted C3N4 polymorphs by using the microscopic model of hardness. The hardest phase, cubic C3N4, has the hardness of 92.0GPa, softer than diamond, although its modulus is higher than that of diamond. The densest phase, cubic spinel C3N4, has the lowest har…
We report on tunneling spectroscopy measurements on colloidal CdSe quantum dots of different sizes. The size-dependent energy level structure and electron-hole Coulomb attraction in CdSe quantum dots are obtained by a combination of shell-tunneling spectroscopy and optical spectroscopy. The results are in good agreeme…
Biodegradable cyclic polyesters are synthesized by using an ε-caprolactone polymerization initiated by a cyclic tin alkoxide, followed by the addition and sequential polymerization of a few units of α-(1-acryloxyethyl)-ε-caprolactone. Tadpole-shaped polyesters with two tails of controllable length are readily prepared…
Phosphorus-induced lattice dynamic behaviors in ZnO:P epilayers grown by the metalorganic chemical vapor deposition technique have been studied using the Raman scattering method. Additional modes around 504, 520, 655, and 866cm−1 are attributed to the disorder-activated modes due to the breakdown of translational symm…
By introduction of oxalate as the second ligand, three novel luminescent lanthanide tetraphosphonates with two types of structures, namely, [La 2 (ox) 2 (H 6 L)]·2H 2 O ( 1, H 8 L = (H 2 O 3 PCH 2 ) 2 NCH 2 CH 2 CH 2 CH 2 N(CH 2 PO 3 H 2 ) 2 ) and Ln 2 (ox) 2 (H 6 L)(H 2 O) 2 ·4H 2 O(Ln = Nd, 2; Eu, 3 ), have been pre…
The Escherichia coli YidC protein belongs to the Oxa1 family of membrane proteins that facilitate the insertion of membrane proteins. Depletion of YidC in E. coli leads to a specific defect in the functional assembly of major energy transducing complexes such as the F1F0 ATPase and cytochrome bo3 oxidase. Here we repo…
A unique combination of acid treatment, aqueous colloidal processing, and spark-plasma sintering (SPS) has been used to fabricate high-density Al2O3 /single-wall carbon nanotube (SWNT) composites with well-distributed SWNTs and other carbon nanostructures ('nano-onions', diamond) at Al2O3 grain boundaries. This approa…
Measurements of liquid-liquid phase transition temperatures (cloud points) of mixtures of a protein (lysozyme) and a polymer, poly(ethylene glycol) (PEG) show that the addition of low molecular weight PEG stabilizes the mixture whereas high molecular weight PEG was destabilizing. We demonstrate that this behavior is i…
Two water-soluble porphyrin self-assemblies consisting of bisacetylene- and monoacetylene-linked conjugated bis(imidazolylporphyrin) have been synthesized. Two-photon absorption (2PA) cross section values in water were determined as 7500 GM for bisacetylene- and 7900 GM for monoacetylene-linked bisporphyrin by femtose…
New europium and gadolinium tris-beta-diketonate complexes have been prepared and incorporated in sol-gel-derived organic-inorganic hybrids, named di-ureasils. The general formula [Ln(btfa)3(4,4'-bpy)(EtOH)] (Ln=Eu, Gd; 4,4'-bpy=4,4'-bipyridine; btfa=4,4,4-trifluoro-1-phenyl-1,3-butanedione) for the complexes was conf…
The potential of different catalytic after treatment techniques to meet future diesel emission standards, which are strongly shifted toward urban driving conditions including cold start, are critically discussed in this Account and evaluated for their suitability for commercial applications. The dominating techniques…
A new system to obtain ultrathin self-standing polyelectrolyte multilayer membranes at physiological conditions is introduced. On the surface of a substrate, a hybrid film structure composed of two compartments, (1) a pH-responsive film segment formed via hydrogen bonds and (2) a polyelectrolyte multilayer film on top…
Abstract Flax fiber composites with thermoset and thermoplastic polymer matrices have been manufactured and tested for stiffness and strength under uniaxial tension. Flax/polypropylene and flax/maleic anhydride grafted polypropylene composites are produced from compound obtained by coextrusion of granulated polypropyl…
In recent years, application of calculated density functional theory Kohn–Sham (DFT-KS) orbitals and eigenvalues have gained increased popularity due to their ability to display and predict physico-chemical properties of large systems. Our interest in this area has been to employ the exchange-correlation hybrid functi…
Asymmetric magnetization reversal is an unusual phenomenon in antiferromagnet / ferromagnet (AF/FM) exchange biased bilayers. We investigated this phenomenon in a simple model system experimentally and by simulation assuming inhomogeneously distributed interfacial AF moments. The results suggest that the observed asym…