Materials Literature
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Large-scale arrayed ZnO crystals with a series of novel morphologies, including tower-like, flower-like, and tube-like samples, have been successfully fabricated by a simple aqueous solution route. The morphology and orientation of the obtained ZnO crystal arrays can be conveniently tailored by changing the reactants…
Bu3SnOEt, Bu2Sn(OEt)2, and BuSn(OEt)3 were used as initiators of ring‐opening polymerizations of ϵ‐caprolactone conducted in 2 M solutions in chlorobenzene with monomer/functional group ratios of 50/1. Time‐conversion curves were recorded in the temperature range of 30–90°C. The reactivity of the initiators increased…
The Berkeley Structural Genomics Center (BSGC) pursues an integrated structural genomics program designed to obtain a near-complete structural representation of two minimal genomes: Mycoplasma genitalium (MG) and Mycoplasma pneumoniae (MP), two related human and animal pathogens. The MP gene MPN428 (gi:1674097) encode…
The use of phosphonic acids [(HO)2P(O)R, R = Ph or Ph‐o,m,p‐NO2] in conjunction with a water‐tolerant Lewis acid, ytterbium trifluoromethanesulfonate [Yb(OTf)3], induces the cationic polymerization of p‐methoxystyrene (pMOS). The polymerization is performed by addition of pMOS to a suspension of either nitrophenylphos…
Aliphatic–aromatic polyamides of castor oil based dimer acid (DA) with various aromatic diamines, viz., 4,4′‐diaminodiphenyl sulfone (SD), 4,4′‐diamino‐diphenyl methane (MD), and p‐phenylene diamine (PD) were synthesized using triphenylphosphite (TPP) as condensation reagent. Pyridine and N,N‐dimethyl formamide (DMF)…
The use of phosphorus as a co‐catalyst enabling modification of the kinetic equilibrium between the elementary growth steps of multiwalled carbon nanotubes and induction of a mechanism of sequential catalytic growth is reported. The mechanism produces nanotube‐based filaments periodically inserted with catalyst nanopa…
Drying is an essential step in many production and treatment processes. The control of dry product quality is more and more required in order to insure a good using or handling of the material. Then new mathematical models should integer these requirements and consider the phenomena of shrinkage. This work gives a mat…
Drying is an essential operation of the wood industry. Computational models of wood drying appeared several decades ago. They started with just mass transfer in one dimension. Nowadays, comprehensive models exist, that can deal with three dimensions and comprehensive physical and mechanical formulation. Provided a com…
In the present work, we sought to improve our sparkle model for the calculation of lanthanide complexes, SMLC,in various ways: (i) inclusion of the europium atomic mass, (ii) reparametrization of the model within AM1 from a new response function including all distances of the coordination polyhedron for tris(acetylace…
A simple criterion to identify potential phase‐change materials is developed using density functional theory. These compounds rely on the switching between an amorphous and a crystalline state. Here it is demonstrated that suitable alloys have an average valence electron number larger than 4.1 and show p‐electron bond…
The fabrication of carbon nanotubes (CNTs) with controlled cross‐sectional shapes is reported for the first time. Anodic porous alumina with triangular openings is used as a template for the chemical vapor deposition synthesis of the CNTs with triangular cross‐sections (see Figure). The CNTs can be applied to the fabr…
Several experimental methodologies exist for measuring volatilities; however, results show great dispersion and sometimes lack of agreement between different methods. The aim of our study was to compare the performance of three static headspace methods (vapor phase calibration, VPC; phase ratio variation, PRV; and liq…
Zinc meso -tetraphenylporphyrin (ZnTPP) is known to have a relatively slow S 2 → S 1 internal conversion rate, (1−3 ps) -1, so that electron transfer from S 2 to a nearby acceptor is possible. We have synthesized two zinc porphyrins in which a pyromellitimide (PI) acceptor is attached to the para position of a meso -p…
We have implemented a set of Embedded Atom Method (EAM) potentials for simulation of Fe-Cr alloys. The functions for the pure elements were fitted to the respective elastic constants, vacancy formation energy, and thermal expansion coefficients. For Cr, properties of the paramagnetic state were applied, providing a po…
The novel mononuclear complex PPh(4)-mer-[Fe(III)(bpca)(3)(CN)(3)].H(2)O (1) [PPh(4)(+) = tetraphenylphosphonium cation and bpca = bis(2-pyridylcarbonyl)amidate anion] and ladder-like chain compound [[Fe(III)(bpca)(micro-CN)(3)Mn(II)(H(2)O)(3)] [Fe(III)(bpca)(CN)(3)]].3H(2)O (2) have been prepared and characterized by…
Point defects on oxide surfaces are presumed to be preferential nucleation sites for supported metal clusters. Under typical growth conditions, dimers constitute the first step in island nucleation. First-principles calculations on the formation of Pd dimers on regular and defect sites of the MgO(100) surface show tha…
In nanotube‐based electronics, Al 2 O 3 nanotubes will play a very important role. A method is reported that yields nanotubes with controllable, uniform wall thickness. The Figure represents the stage of the synthesis in which ZnO nanowires synthesized on a thick polycrystalline ZnO layer on a Si substrate have been c…
The preparation of ordered arrays of metal hollow spheres via colloidal crystal templating is reported. A seeded growth technique for metal coatings on isolated colloids in solution and a confined template‐directed synthesis method for metal patterning were combined. The polymer colloidal crystal template was prepared…
Multimodal atomic force microscopy (AFM) was used to map charge transfer properties in correlation to the molecular superstructure of poly(ethyldioxythiophene)–poly(styrenesulfonic acid) (see Figure). The lamellar domains of the polymer blend are indicated by phase shifts. Efficient charge injection occurs when lamell…
The poly(3,4-ethylenedioxythiophene) (PEDOT) films prepared in an aqueous sodium dodecyl sulfate and lithium tetrafluoroborate electrolyte solution were investigated. It was shown that the PEDOT films prepared in this medium exhibit novel electrochemical and optical properties. Cyclic voltammetric results indicate tha…