Materials Literature
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EDIFFis a new user-friendly software suite for unit-cell determination of three-dimensional nanocrystals from randomly oriented electron diffraction patterns with unknown independent orientations. It can also be used for three-dimensional cell reconstruction from diffraction tilt series. In neither case is exact knowl…
Electromagnetic metamaterials are capable of emulating many exotic space-time geometries, such as black holes, rotating cosmic strings, and the big bang singularity. This paper presents a metamaterial-based model of the Alcubierre warp drive and studies its limitations due to available range of material parameters. It…
A novel environmentally friendly Pt-free counter-electrode (CE) for dye-sensitized solar cells (DSSCs) based on low-cost quaternary copper zinc tin sulfide (CZTS) nanocrystals is described by Z. Lin and co-workers in their Communication on page 11 739 ff. CZTS nanocrystals were synthesized and spin-coated onto fluorin…
The optical emittance of a hole pair perforated in an opaque metal film is studied from first principles using the coupled-mode method. The geometrical simplicity of this system helps us to understand the fundamental role played by surface plasmon polaritons (SPPs) in its optical response. A SPP interference model wit…
We introduce a new lithographic method for the generation of 2D patterns of composite nanoparticles (NPs) of Ag and Au by taking recourse to combine top-down and bottom-up approaches. Micrometer-scale and submicrometer-scale patterned Ag foils of commercially available compact disks (CDs) and digital versatile disks (…
Abstract The possibilities of using highly absorbing chalcopyrite semiconductors of the type Cu(In,Ga)Se2 in a quantum well solar cell structure are explored. Thin alternating layers of 50 nm CuInSe2 and CuGaSe2 were grown epitaxially on a GaAs(100) substrate. The optical properties of a resulting structure of three l…
A general method for the synthesis of grafted poly(alkylene phosphate)s is presented by combination of Atherton–Todd reaction and “click” chemistry. In the first step, the proposed method uses in a first step the Atherton-–Todd reaction to yield poly(tetraoxyethylene phosphate) with pendant acetylenic groups from poly…
Reaction between CuCl2 and (Z)-2-(1-(2-(1H-benzo[d]imidazol-2-yl)ethylimino)ethyl)phenol (Hhap-aebmz) derived from o-hydroxyacetophenone (Hhap) and 2-aminoethylbenzimidazole (aebmz) gives [CuII(hap-aebmz)Cl]. Elemental analysis, magnetic susceptibility, spectral (IR and electronic) data, and single crystal X-ray studi…
The existence of insoluble residues as intermediate products produced during the wet etching process is the main quality-reducing and structure-patterning issue for lead zirconate titanate (PZT) thin films. A one-step wet etching process using the solutions of buffered HF (BHF) and HNO 3 acid was developed for pattern…
Abstract Cadmium sulfide (CdS) and zinc oxide (ZnO) are used in thin film solar cells as buffer layer and transparent conducting oxide, respectively. The effect of annealing conditions on the morphology and physical properties of CdS and ZnO films prepared using chemical bath deposition and sol–gel synthesis technique…
Patterned Electrode Vertical Organic Field Effect Transistor (PE-VOFET) operational behavior is examined in this work with the use of self-consistent numerical model and experimental measurements. The device is described as a single carrier type diode where one of its electrode's electrical properties could be altered…
ThermoML is an XML-based approach for storage and exchange of experimental, predicted, and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the representation of speciation, complex equilibria, and properties of biomaterials are described. The texts of 14 data…
Nowadays, wearable sensors such as heart rate monitors and pedometers are in common use. The use of wearable systems such as these for personalized exercise regimes for health and rehabilitation is particularly interesting. In particular, the true potential of wearable chemical sensors, which for the real-time ambulat…
The apo structure of N5-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis (baPurK) with Mg2+ in the active site is reported at 1.96 Å resolution. PurK is an enzyme in the purine-biosynthetic pathway, unique to prokaryotes, that converts 5-aminoimidazole ribonucleotide to N5-carboxyaminoimida…
A new four-coordinate cobalt(II) complex with 1,3-bis(1-ethylbenzimidazol-2-yl)-2-oxopropane (Etobb), Co(Etobb)Cl2, has been synthesized and characterized by elemental analysis, electrical conductivities, infrared, and UV-Vis spectral measurements. The crystal structure has been determined by single-crystal X-ray diff…
Elusive perchloropyracylene has been obtained during conventional fullerene synthesis in a chlorine-containing atmosphere by using the radio-frequency furnace technique. In contrast to its hydrocarbon analogue, the title compound was found to be unexpectedly stable. Although the high stability of perchloropyracylene i…
We are concerned with a model of ionic polymer-metal composite (IPMC) materials that consists of a coupled system of the Poisson and Nernst-Planck equations, discretized by means of the finite element method (FEM). We show that due to the transient character of the problem it is efficient to use adaptive algorithms th…
Three new coordination complexes, [Cd2(ppt)2(cpba)] · (H2O)2 (1), [Zn(ppt)2] · (H2O) (2), and [Zn(MoO4)(Hppt)] (3) (H2cpba: 3-(2′-carboxy-phenoxy)-benzoic acid; Hppt: 3-(pyridin-3′-yl)-5-(pyridin-2′′-yl)-1,2,4-triazole), were synthesized under hydrothermal conditions. Their structures have been determined by single cr…
Here, we describe the preparation of stable 15 nm gold nanoparticles (Au-NPs) coated with parallel-stranded G-quadruplexes (G4-DNA), comprising phosphorothioate residues on both sides of the DNA. Phosphorothioate residues located on the surface of the coated particles can anchor them to noncoated ones. Their incubatio…
We have investigated the mechanical properties of semiconducting clathrate frameworks composed of group 14 elements carbon, silicon, germanium, and tin. The bulk moduli, Young’s moduli, and elastic anisotropies of 13 structurally different clathrate frameworks were determined using quantum chemical methods. The predic…