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First-principles thermodynamic modeling of lanthanum chromate perovskites

P. Dalach、D. E. Ellis、Axel van de Walle2012-01-17Physical Review B

Tendencies toward local atomic ordering in (A,A\ensuremath{'})(B,B\ensuremath{'})O${}_{3\ensuremath{-}\ensuremath{\delta}}$ mixed composition perovskites are modeled to explore their influence on thermodynamic, transport, and electronic properties. In particular, dopants and defects within lanthanum chromate perovskit…

Advancements in Solid Oxide Fuel CellsMagnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter Physics

Photoluminescence from SWCNT/Cu Hybrid Nanostructure Synthesized by a Soft Chemical Route

Rima Paul、A.K. Mitra2012-01-17ISRN Optics

We report a simple wet chemical technique to coat single wall carbon nanotubes (SWCNTs) with Cu nanoparticles. The SWCNT/Cu hybrid nanostructure has been characterized using field emission scanning electron microscopy (FESEM), high-resolution transmission electron microscopy (HRTEM), energy dispersive X-ray analysis (…

Carbon Nanotubes in CompositesQuantum Dots Synthesis And PropertiesNanowire Synthesis and Applications

Marrucciite, a rare Hg-sulfosalt from the Gelnica ore deposit (Slovak Republic), and its comparison with the type occurrence at Buca della Vena mine (Italy)

J. Sejkora、Daniel Ozdín、František Laufek 等 5 位作者2012-01-17Journal of Geosciences

The rare Hg-sulfosalt, marrucciite, with ideal formula Hg 3 Pb 16 Sb 18 S 46 , was found in the Gelnica ore deposit (Spisko-Gemersk Rudohorie Mts., Slovak Republic). It occurs as acicular crystals up to 0.5 mm in length and fine-grained aggregates up to 1 mm in quartz (+siderite/dolomite) gangue in association with ot…

Crystal Structures and PropertiesSolid-state spectroscopy and crystallographyMineralogy and Gemology Studies

Implantation of keV-energy argon clusters and radiation damage in diamond

Vladimir N. Popok、Juha Samela、K. Nordlund 等 4 位作者2012-01-17Physical Review B

We show that for impacting argon clusters, both mean projected ranges of the constituents and depths of radiation damage in diamond scale linearly with momentum. The same dependence was earlier found for keV-energy cluster implantation in graphite, thus suggesting the universality of this scaling law. For diamond, a g…

High-pressure geophysics and materialsDiamond and Carbon-based Materials ResearchIon-surface interactions and analysis

Possible magnetic behavior in oxygen-deficientβ-PtO2

Yong Yang、Osamu Sugino、Takahisa Ohno2012-01-17Physical Review B

We studied the electronic properties of beta-platinum dioxide (\ensuremath{\beta}-PtO${}_{2}$), a catalytic material, based on density functional theory. Using the GGA+U method, which reproduces the GW band structures and the experimental structural parameters, we found that the creation of an oxygen vacancy will indu…

Electrocatalysts for Energy ConversionSemiconductor materials and devicesTransition Metal Oxide Nanomaterials

Continuum heterogeneous biofilm model—A simple and accurate method for effectiveness factor determination

Elio E. Gonzo、Stefan Wuertz、Verónica Beatriz Rajal2012-01-17Biotechnology and Bioengineering

We present a novel analytical approach to describe biofilm processes considering continuum variation of both biofilm density and substrate effective diffusivity. A simple perturbation and matching technique was used to quantify biofilm activity using the steady-state diffusion-reaction equation with continuum variable…

Bacterial biofilms and quorum sensingPolymer Surface Interaction StudiesAntimicrobial agents and applications

Micromechanical properties and ductile behavior of electrospun polystyrene nanofibers

Ashraf Sh. Asran、V. Seydewitz、G. H. Michler2012-01-17Journal of Applied Polymer Science

Abstract Using electrospinning technique polystyrene (PS) nanofibers in the thickness range from 150 to 800 nm have been produced. Electron microscope inspections reveal the relatively uniform thickness of the obtained fibers. The mechanical deformation mechanisms have been studied in tension tests using micro‐tensile…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsElectrospun Nanofibers in Biomedical Applications

Polymerizable ionic liquids for the preparation of polystyrene/clay composites

Andrea Pucci、Vincenzo Liuzzo、Bernardo Melai 等 5 位作者2012-01-17Polymer International

Abstract Polymerizable ionic liquids (ILs) 1‐methyl‐3‐(4‐vinylbenzyl)imidazolium chloride, 1‐hexyl‐3‐(4‐vinylbenzyl)imidazolium chloride and 1‐dodecyl‐3‐(4‐vinylbenzyl)imidazolium chloride were prepared and used as new surfactants for the modification of montmorillonite (MMT). Functionalized MMTs were prepared by cati…

Polymer Nanocomposites and PropertiesConducting polymers and applicationsDielectric materials and actuators

Non Inflammatory Boronate Based Glucose-Responsive Insulin Delivery Systems

Indrani Dasgupta、Eric A. Tanifum、Mayank Srivastava 等 7 位作者2012-01-17PLoS ONE

Boronic acids, known to bind diols, were screened to identify non-inflammatory cross-linkers for the preparation of glucose sensitive and insulin releasing agglomerates of liposomes (Agglomerated Vesicle Technology-AVT). This was done in order to select a suitable replacement for the previously used cross-linker, Conc…

RNA Interference and Gene DeliveryElectrospun Nanofibers in Biomedical ApplicationsDendrimers and Hyperbranched Polymers

Low-frequency coupled modes in disordered Pb(Zr,Ti)O3solid solutions from first principles

Jeevaka Weerasinghe、Dawei Wang、L. Bellaïche2012-01-17Physical Review B

The low-frequency ($<80$ cm${}^{\ensuremath{-}1}$) optical modes appearing in the dielectric spectra at low temperature are determined across the morphotropic phase boundary of disordered $\mathrm{Pb}(\mathrm{Zr},\mathrm{Ti}){\mathrm{O}}_{3}$ solid solutions from the use of first-principles-based molecular dynamics…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsMicrowave Dielectric Ceramics Synthesis

Controlling the Assembly of Nanoparticle Mixtures With Two Orthogonal Polymer Complexation Reactions

Dan Zhang、Robert Pelton2012-01-17Langmuir

Self-assembly from mixed dispersions of three sizes of monodisperse polystyrene nanoparticles, large (L), medium (M), and small (S), was controlled by coating each particle type with either a monofunctional or bifunctional polymer capable of participating in specific complexation reactions. The complexation reactions…

Advanced Polymer Synthesis and CharacterizationSurfactants and Colloidal SystemsPolymer Surface Interaction Studies

Energetic and thermodynamic aspects of structural transitions in Fe-Pd ferromagnetic shape memory thin films: Anab initiostudy

S. G. Mayr2012-01-17Physical Review B

Although Fe-Pd alloy thin films are highly promising for magnetic shape memory actuation in biomedical applications and miniaturized devices, phase formation and thermodynamic properties are still poorly understood. In the present study we employ density-functional theory and ab initio molecular-dynamic simulations on…

Magnetic and transport properties of perovskites and related materialsShape Memory Alloy TransformationsMagnetic Properties and Applications

Synthesis, Structure, and Properties of Alkyl-Substituted PPXs by Chemical Vapor Deposition for Stent Coatings

Anna K. Bier、Michael Bognitzki、Jochen Mogk 等 4 位作者2012-01-17Macromolecules

High-molecular-weight un-cross-linked poly( p- xylylene) (PPX) derivatives ( 3 ) with one lateral linear alkyl substituent (methyl–octyl) on each phenylene moiety were prepared by pyrolysis of corresponding paracyclophanes followed by chemical vapor deposition (CVD). Most of these PPX derivatives showed good solubilit…

Corrosion Behavior and InhibitionForce Microscopy Techniques and ApplicationsNanofabrication and Lithography Techniques

Electrically driven gallium movement in carbon nanotubes

Min Sun、Yihua Gao2012-01-17Nanotechnology

Electrically driven gallium movement in carbon nanotubes is discussed. A higher current (~15 mA) makes the gallium migrate sharply toward the anode, which increases its mass transport speed with time in the range of 0 to more than 10.345 fg s(-1). In contrast, a lower current (~2 mA) only drives gallium to contact the…

Carbon Nanotubes in CompositesGraphene research and applicationsNanopore and Nanochannel Transport Studies

Semianalytical design of antireflection gratings for photonic crystals

Wojciech Śmigaj、Boris Gralak2012-01-17Physical Review B

This article concerns the design of antireflection structures which, placed on a photonic crystal surface, significantly diminish the fraction of energy lost to reflected waves. After a review of the classes of these structures proposed to date, a new method is presented in detail for the design of antireflection grat…

Photonic and Optical DevicesPhotonic Crystals and ApplicationsOptical Coatings and Gratings

Photophysics of resonantly and non-resonantly excited erbium doped Ge nanowires

Santanu Manna、N. Prtljaga、Samaresh Das 等 6 位作者2012-01-17Nanotechnology

We have fabricated Er doped germanium nanowires of different diameters by pulsed laser deposition and chemical methods. Er induced photoluminescence emission due to the intra-4f (4)I(13/2)→(4)I(15/2) transition of Er energy levels at 1.53 µm has been achieved at room temperature using both resonant (980 nm) and non-re…

Silicon Nanostructures and PhotoluminescenceNanowire Synthesis and ApplicationsSemiconductor materials and interfaces

Pressure-induced structural transformations in pure and Ru-doped 0.9PbZn1/3Nb2/3O3-0.1PbTiO3near the morphotropic phase boundary

Naëmi Waeselmann、Bernd Maier、Boriana Mihailova 等 9 位作者2012-01-17Physical Review B

Pressure-induced structural transformations in relaxor-based perovskite-type (ABO${}_{3}$) 0.9PbZn${}_{1/3}$Nb${}_{2/3}$O${}_{3}$-0.1PbTiO${}_{3}$ single crystals which have a very high piezoelectric response were studied by single-crystal x-ray diffraction and Raman spectroscopy at room temperature and pressures up t…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsDielectric properties of ceramics

Precise control of the number of walls formed during carbon nanotube growth using chemical vapor deposition

Hangsheng Yang、Li Zhang、Xufeng Dong 等 7 位作者2012-01-17Nanotechnology

We demonstrate a one-step approach for selecting the number of walls formed during carbon nanotube (CNT) growth by catalytic decomposition of CH(4) over Fe-Mo/MgO catalysts. Scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), thermal gravimetric analysis (TGA) and Raman spectr…

Carbon Nanotubes in CompositesGraphene research and applicationsChemical and Physical Properties of Materials

Effects of Annealing Temperature and SiO2 Matrix on the Structure and Optical Properties of Co-Doped ZnAl2O4/SiO2 Nanoglass–Ceramic Composites

Xiulan Duan、Xinqiang Wang、Fapeng Yu 等 4 位作者2012-01-17The Journal of Physical Chemistry C

Co-doped glass–ceramics containing spinel nanocrystals attach much attention as optical materials. The composition and preparation conditions of the material will influence its structure and optical properties. In this study, the samples (100– x )Co 0.1 Zn 0.9 Al 2 O 4 – x SiO 2 ( x = 0–95) were prepared by the sol–ge…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsMagnetic Properties and Synthesis of Ferrites

Changes to the Triaxial Composition of the Hydrated Phases ( CaO/Al 2 O 3 /SiO 2 ) in the Metakaolin/Lime System

Rosario García Giménez、Olga Rodríguez、Raquel Vigil de la Villa 等 4 位作者2012-01-17Journal of the American Ceramic Society

This study examines the composition of certain hydrates (calcium silicate, aluminum silicate, and related phases) produced by the pozzolanic reaction of waste‐paper sludge that had previously been activated at different temperatures. It summarizes and compares the evolution of the oxide compounds, and records their st…

Concrete and Cement Materials ResearchClay minerals and soil interactionsLayered Double Hydroxides Synthesis and Applications