Materials Literature
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The preparation of ceria and ceria–zirconia supported ruthenium catalysts was optimized in order to get well-dispersed metal particles. The influence of the preparation method and the treatment conditions on the final morphology of the catalyst was investigated. Ceria-supported catalysts, prepared by incipient wetness…
First-principles total-energy calculations on the tetragonal states of bulk elemental palladium have been made with a full-potential electronic structure program with both the local-density approximation (LDA) and the generalized gradient approximation (GGA). The unique path through tetragonal states produced by epita…
Missing-row reconstructions on Au(110) immersed in electrolytes have been studied by in situ reflectance anisotropy spectroscopy. Transitions between the 1 x 3, 1 x 2, and 1 x 1 surface structures were monitored as a function of the applied potential. A kinetic model allowed us to reproduce the data satisfactorily. Th…
Three biomimetic models for the binuclear Fe/Cu (heme/trisimidazole) active site of terminal oxidases, such as cytochrome c oxidase and related enzymes, have been prepared. Based upon a tetrakis(aminophenyl)porphyrin core, these models possess a single covalently linked imidazole-bearing tail on one side of the porphy…
NbS2 nanoparticles with a closed cage structure (inorganic fullerene-like phase—IF) were synthesized by reaction between NbCl5 vapor and H2S gas in a reducing atmosphere at 400 °C, and subsequent annealing under a H2S/H2 atmosphere at 550 °C. Following the synthesis, the nanoparticles were found to have a large excess…
The equilibrium structure of decoration lattices composed of colloidal particles adsorbed on periodic stripe-patterned substrates is calculated as a function of the stripe width and separation and for different interparticle interactions. Due to a competition of length scales, a wealth of different stable decoration l…
Two series of novel rod-like compounds containing Schiff-base and naphthalimide units were synthesized. The liquid crystalline and amorphous phases of these compounds have been studied by differential scanning calorimetry (DSC), polarizing microscopy and X-ray diffraction. It was found that compounds 1A, 2A and 3A wit…
Nano-ZnS was deposited into porous silicon. By varying the concentration of Zn2+ ion solution during nano-ZnS formation, the amount of nano-ZnS in porous silicon host can be controlled. The doped porous silicon exhibited a gradual shift in its photoluminescence peak from red to blue as a function of the nano-ZnS cover…
The atomic structure of a precursor-derived amorphous ceramic with the composition ${\mathrm{Si}}_{37}{\mathrm{C}}_{32}{\mathrm{N}}_{31}$ and a density of $2.4 \mathrm{g}/{\mathrm{cm}}^{3}$ was modeled using a density-functional-based molecular dynamics simulation. Three different model structures were generated, and…
In this communication we report the synthesis, structure and preliminary characterisation of Bi2LnO4Cu2Se2 (Ln = Y, Gd, Sm, Nd, La) phases; these materials are members of a new family of layered oxychalcogenides.
Abstract This paper describes the development of a comprehensive mathematical and numerical model for simulating the performance of automotive three-way catalytic converters, which are employed to reduce engine exhaust emissions. The model simulates the emission system behavior by using an exhaust system heat conserva…
The recently discovered clathrate ${\mathrm{Ba}}_{6}{\mathrm{Ge}}_{25}$ undergoes a two-step first-order phase transition at the temperatures ${T}_{S1,S2}\ensuremath{\approx}215,$ 180 K. The first-order nature of the transition is evidenced from the hysteretical temperature dependences of the electrical resistivity $\…
ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTStereoselectivity in the Formation of Crystalline Inclusion Complexes of Poly(3-hydroxybutyrate)s with CyclodextrinsXintao Shuai, Francis E. Porbeni, Min Wei, Todd Bullions, and Alan E. TonelliView Author Information Fiber and Polymer Science Program, College of Textiles, North…
Abstract We present experimental results on the instrumented Vickers micro-indentation and compression of solutionized Ni-rich NiTi single crystals. The tests are conducted at room temperature where the solutionized Ti-50.9 at percent Ni material is 18 degrees above Af and the solutionized Ti-51.5 at percent Ni materi…
We show that metastable rocksalt CdSe nanocrystals can persist at ambient pressure depending on the physical size of the particle. The size-dependence of the hysteresis loop was measured for the solid−solid transition in CdSe nanocrystals, between four- and six-coordinate structures. A systematic shift of the entire h…
The reduction of particulate emissions from diesel engines is of major interest, considering the strict emission standards posed by the legislation worldwide. Although the technology of particulate filters has been under development for more than 20 years, considerable technological challenges remain regarding effecti…
Abstract This paper is concerned with the mechanical behavior of a Cu-Al-Be Shape Memory Alloy (SMA). A large experimental database, made of tension-internal pressure tests and biaxial compressive tests, is reported. Particular attention is paid to the behavior of the material under multiaxial proportional and nonprop…
Hydrogen bond-mediated self-assembly is a powerful strategy for creating nanoscale structures. However, little is known about the fidelity of assembly processes that must occur when similar and potentially competing hydrogen-bonding motifs are present. Furthermore, there is a continuing need for new modules and strate…
A novel picture of the quasiparticle (QP) gap in prototype semiconductors Si and Ge emerges from an analysis based on all-electron, self-consistent, GW calculations. The deep-core electrons are shown to play a key role via the exchange diagram --if this effect is neglected, Si becomes a semimetal. Contrary to current…
We formulated a technique which combines the first-principles, micromagnetic and microstructural calculations and allows us to study the nature of hysteretic phenomena in hard magnets. Two distinct sources of coercivity in polytwinned CoPt type magnets, domain wall pinning at antiphase boundaries and splitting at twin…