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Density-functional theory investigation of hardness, stability, and electron-energy-loss spectra of carbon nitrides withC11N4stoichiometry

Maurizio Mattesini、Samir F. Matar2002-01-31Physical review. B, Condensed matter

The characterization of carbon nitride films with stoichiometry ${\mathrm{C}}_{3}{\mathrm{N}}_{4}$ is heavily restricted by the problem of getting pure crystalline samples with the right C/N ratio. However, thin films with lower nitrogen concentration (5--25 %) have been found relatively easier to deposit, for example…

Metal and Thin Film MechanicsDiamond and Carbon-based Materials ResearchBoron and Carbon Nanomaterials Research

Small-angle x-ray scattering studies of human breast tissue samples

Manuel Fernández、Jani Keyriläinen、Ritva Serimaa 等 9 位作者2002-01-31Physics in Medicine and Biology

Small-angle x-ray scattering (SAXS) patterns are recorded from thin breast tissue samples containing healthy and cancerous regions. The SAXS patterns are compared with histo-pathological observations. The information available from SAXS is reviewed, and a model for scattering from collagen is presented. Scattering pat…

Bone health and osteoporosis researchAdvanced X-ray Imaging TechniquesRadiation Shielding Materials Analysis

The stoichiometry of hydrogen reduced zirconia and its influence on catalytic activity

Dominik Eder、R. Kramer2002-01-31Physical Chemistry Chemical Physics

There is still little known about the origin, quantity and reactivity of defect species in reduced zirconia. Reduction of zirconia with flowing dry hydrogen leads to the adsorption of hydrogen and to the formation of oxygen vacancies. The number of vacancies increases with increasing treatment temperature, with increa…

Catalytic Processes in Materials ScienceAdvancements in Solid Oxide Fuel CellsCatalysis and Oxidation Reactions

Specific heat of MgB$_2$ in a one- and a two-band model from first-principles calculations

A. A. Golubov、J. Kortus、O. V. Dolgov 等 9 位作者2002-01-31arXiv

The heat capacity anomaly at the transition to superconductivity of the layered superconductor MgB$_2$ is compared to first-principles calculations with the Coulomb repulsion, $μ^\ast$, as the only parameter which is fixed to give the measured $T_c$. We solve the Eliashberg equations for both an isotropic one-band and…

Materials ScienceSuperconductivity

Novel continuum modeling of crystal surface evolution

Navot Israeli、Daniel Kandel2002-01-31arXiv

We propose a novel approach to continuum modeling of the dynamics of crystal surfaces. Our model follows the evolution of an ensemble of step configurations, which are consistent with the macroscopic surface profile. Contrary to the usual approach where the continuum limit is achieved when typical surface features con…

Materials Sciencecond-mat.stat-mech

Angle-Resolved Nanosphere Lithography: Manipulation of Nanoparticle Size, Shape, and Interparticle Spacing

Christy L. Haynes、Adam D. McFarland、Matthew T. Smith 等 5 位作者2002-01-31The Journal of Physical Chemistry B

This work presents a novel approach to fine-tuning the size, shape, and interparticle spacing of nanoparticles fabricated by nanosphere lithography (NSL). This approach, termed angle-resolved nanosphere lithography (AR NSL), is a variant of NSL that yields vastly different, and increasingly flexible, nanostructures. T…

Optical Coatings and GratingsNanofabrication and Lithography TechniquesNear-Field Optical Microscopy

Random Packings of Frictionless Particles

Corey S. O’Hern、Stephen A. Langer、Andrea J. Liu 等 4 位作者2002-01-31OpenAlex

We conduct numerical simulations of random packings of frictionless particles at T = 0. The packing fraction where the pressure becomes nonzero is the same as the jamming threshold, where the static shear modulus becomes nonzero. The distribution of threshold packing fractions narrows, and its peak approaches random c…

Material Dynamics and PropertiesTheoretical and Computational PhysicsGranular flow and fluidized beds

Raman spectroscopy of molybdenum oxides

Martin Philipp Dieterle、G. Weinberg、Gerhard Mestl2002-01-31OpenAlex

MoO3−x samples were prepared under different temperature and gas atmosphere conditions. The samples, which are all of the crystallographic MoO3 structure, have been investigated by XRD, SEM, diffuse reflection (DR) UV/VIS and Raman spectroscopies to characterize their properties as a function of the different concentr…

Catalytic Processes in Materials ScienceTransition Metal Oxide NanomaterialsCatalysis and Oxidation Reactions

Drastic Reduction of Plasmon Damping in Gold Nanorods

Carsten Sönnichsen、T. Franzl、Tatjana Wilk 等 7 位作者2002-01-31OpenAlex

The dephasing of particle plasmons is investigated using light-scattering spectroscopy on individual gold nanoparticles. We find a drastic reduction of the plasmon dephasing rate in nanorods as compared to small nanospheres due to a suppression of interband damping. The rods studied here also show very little radiatio…

Gold and Silver Nanoparticles Synthesis and ApplicationsPlasmonic and Surface Plasmon ResearchNonlinear Optical Materials Studies

A Surface Sensitive Study of the Influence of Corrosion Inhibitor on Chemical Scale Inhibition

Jonathan Wylde、G. C. Allen、I. R. Collins2002-01-30OpenAlex

Abstract A combination of Laser Raman Spectroscopy, Secondary Ion Mass Spectrometry and Scanning Electron Microscopy has been used to investigate the influence of corrosion inhibitors on the mechanism of scale formation. In a series of experiments mixed barium and strontium sulphate scales were precipitated onto a ste…

Calcium Carbonate Crystallization and InhibitionPetroleum Processing and AnalysisCrystallization and Solubility Studies

Polarization of Cinnamoyl-CoA Substrates Bound to Enoyl-CoA Hydratase: Correlation of 13C NMR with Quantum Mechanical Calculations and Calculation of Electronic Strain Energy

Robert L. D’Ordine、Jaroslaw Pawlak、Brian J. Bahnson 等 4 位作者2002-01-30Biochemistry

When alpha,beta-unsaturated substrates bind to the active site of enoyl-CoA hydratase, large spectral changes can be observed [D'Ordine, R. L., et al. (1994) Biochemistry 33, 12635-12643]. The differences in the isotropic magnetic shieldings of the free and active site-bound forms of the carbonyl, alpha-, and beta-car…

Protein Structure and DynamicsEnzyme Structure and FunctionAmino Acid Enzymes and Metabolism

Interesting transport and magnetic properties in a new family of molecular materials based on the organic donor BET-TTF and the perrhenate anionElectronic supplementary information (ESI) available: overlap modes of the radical cations of 1–3. See http://www.rsc.org/suppdata/jm/b1/b106070h/

Salavat S. Khasanov、Aarón Pérez-Benı́tez、B.Zh. Narymbetov 等 12 位作者2002-01-30Journal of Materials Chemistry

Three completely different salts, (BET-TTF)ReO4 (1), (BET-TTF)3(ReO4)2 (2), and (BET-TTF)9(ReO4)4·2(THF) (3) are obtained by small variations in the electrocrystallization conditions of bis(ethylenethio)tetrathiafulvalene (BET-TTF) with the ReO4− ion. The crystal structures of the three salts show strong differences b…

Magnetism in coordination complexesOrganic and Molecular Conductors ResearchN-Heterocyclic Carbenes in Organic and Inorganic Chemistry

Syntheses and properties of carboxymethyl chitosan/urea–formaldehyde snake‐cage resins

Rongjun Qu、Yanzhi Sun、Chunhua Wang 等 6 位作者2002-01-30Journal of Applied Polymer Science

Abstract A series of novel snake‐cage resins were synthesized using carboxymethyl chitosan (CM‐CTS) as the snake resin and urea–formaldehyde resin (UF) as the cage resin. Such factors as the optimal synthesis conditions, content of the crosslinking agent, and sorption capacities for metal ions of the above‐mentioned r…

Epoxy Resin Curing ProcessesLignin and Wood ChemistrySynthesis and properties of polymers

<title>Volume-phase holographic spectrograph for the Magellan telescopes</title>

G. M. Bernstein、Alex Athey、Rebecca A. Bernstein 等 6 位作者2002-01-30Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

We present the design for an optical spectrograph for the 6.5-meter Magellan II Telescope. The spectrograph covers the full visible spectrum in a single exposure at very high efficiency through a dual-channel design and the use of volume phase holographic (VPH) gratings in lieu of traditional surface gratings. A pair…

Photonic and Optical DevicesPhotorefractive and Nonlinear OpticsOptical Coatings and Gratings

Size quantized formation and self-assembly of gold encased silver nanoparticlesElectronic supplementary information (ESI) available: experimental details; Figs. S1–S6 and Graphical Abstract. See: http://www.rsc.org/suppdata/cc/b1/b108163b/

Eliza Hutter、János H. Fendler2002-01-30Chemical Communications

Mixing aqueous dispersions of thiocyanate ion coated small (< 3.5 nm diameter) gold nanoparticles and EDTA covered larger (> 22 nm diameter) silver nanoparticles, results in the formation of robust gold encased silver nanoparticles; in contrast to using larger (> 11 nm diameter) gold nanoparticles which forms chained…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesNanocluster Synthesis and Applications

Organophosphorous additive for fortification, processibility, and flame retardance of epoxy resins

Adam S. Zerda、Alan J. Lesser2002-01-30Journal of Applied Polymer Science

Abstract Amine‐cured epoxy resins are prepared containing an aliphatic phosphonate additive which aids in the processing of the epoxy by reducing the viscosity of the resin mixture. The additive also acts as an antiplasticizer in the cured epoxy by increasing the modulus and yield strength under uniaxial tension and c…

Mechanical Behavior of CompositesFlame retardant materials and propertiesFiber-reinforced polymer composites

Pyrrole and polypyrrole-based liquid crystals containing azobenzene mesogenic groups

Yu Chen、William T. A. Harrison、Corrie T. Imrie 等 4 位作者2002-01-30Journal of Materials Chemistry

Here we discuss the thermotropic and electrochemical properties and polymerisation of a series of N-substituted pyrrole monomers bearing mesogenic 4-substituted azobenzene attached as a pendant group via alkyl spacers. We discuss the effect upon these molecular properties of chain length and substitution of the azoben…

Liquid Crystal Research AdvancementsConducting polymers and applicationsPorphyrin and Phthalocyanine Chemistry

Effect Of Hydrate Inhibitors On Oilfield Scale Formation And Inhibition

Amy T. Kan、Gongmin Fu、M. A. Watson 等 4 位作者2002-01-30OpenAlex

Abstract The effect of hydrate inhibitors on oilfield scale formation has been studied. A self-consistent activity model is presented to model the effect of methanol on carbonate equilibrium, calcite, barite, gypsum, celestite, and halite solubility in a gas/methanol/water/salt solution. The model uses Pitzer theory t…

Calcium Carbonate Crystallization and Inhibition

Antiferroelectric Switchable Mesophases of Nonchiral Bent-Core Liquid Crystals Containing Fluorinated Central Cores

Gert Dantlgraber、Dong Shen、Siegmar Diele 等 4 位作者2002-01-30Chemistry of Materials

A new series of liquid-crystalline bent-core molecules comprising a central 3,4‘-disubstituted biphenyl unit (biphenyl 3,4‘-bis-4-[4-dodecyl(oxy)benzoyloxy]benzoates) at which one, two, or even three H atoms in various positions were replaced by F atoms has been synthesized. The biphenyl cores were built up by orthome…

Liquid Crystal Research AdvancementsSynthesis and Properties of Aromatic CompoundsMolecular spectroscopy and chirality

NO Monomers on MgO Powders and Thin Films

Cristiana Di Valentin、Gianfranco Pacchioni、Mario Chiesa 等 6 位作者2002-01-30The Journal of Physical Chemistry B

The interaction of nitric oxide with the surface of MgO at low temperature has been studied experimentally and theoretically. High-surface-area polycrystalline MgO prepared by chemical vapor deposition has been exposed to both 14 NO and 15 NO and the corresponding adsorption complexes have been monitored by means of e…

Advanced Chemical Physics StudiesHigh-pressure geophysics and materialsMagnesium Oxide Properties and Applications