Víctor Pardo、Warren E. Pickett2010-06-17Physical Review B
The ${({\text{SrTiO}}_{3})}_{m}/{({\text{SrVO}}_{3})}_{n}$ ${d}^{0}\text{\ensuremath{-}}{d}^{1}$ multilayer system is studied with first-principles methods through the observed insulator-to-metal transition with increasing thickness of the ${\text{SrVO}}_{3}$ layer. When correlation effects with reasonable magnitude a…
Magnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter PhysicsElectronic and Structural Properties of Oxides
Valeria Ferrari、A. M. Llois、V. Vildosola2010-06-17Journal of Physics Condensed Matter
We perform an electronic structure study for cerium oxide homogeneously doped with cobalt impurities, focusing on the role played by oxygen vacancies and structural relaxation. By means of full-potential ab initio methods, we explore the possibility of ferromagnetism as observed in recent experiments. Our results indi…
Catalytic Processes in Materials ScienceMagnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter Physics
Goutam Rath、E. S. Johal、Amit K. Goyal2010-06-17Artificial Cells Blood Substitutes and Biotechnology
The objective of this study was to establish an effective therapy system for wound management. The present work describes preparation of metronidazole/serratiopeptidase loaded alginate microspheres by emulsification method. In vitro characterizations like particle size analysis, % yield, % encapsulation, and in vitro…
Electrospun Nanofibers in Biomedical ApplicationsWound Healing and TreatmentsMicroencapsulation and Drying Processes
Raynaldo Scarlett、John C. Crocker、Talid Sinno2010-06-17The Journal of Chemical Physics
A detailed computational study of compositional segregation during growth of colloidal binary solid-solution crystals is presented. Using a comprehensive set of Metropolis Monte Carlo simulations, we probe the influence of colloid size, interaction strength, and interaction range on the segregation process. The result…
Material Dynamics and PropertiesCrystallization and Solubility Studiesnanoparticles nucleation surface interactions
Zhongqiang Yang、Tina Izard、Kenji Kishimoto 等 6 位作者2010-06-17Advanced Functional Materials
We report an investigation of nematic LCs formed from miscible mixtures of 4-cyano-4'-pentylbiphenyl (5CB) and 2-(2-[2-{2-(2,3-difluoro-4-{4-(4-trans-pentylcyclohexyl)-phenyl-phenoxy)ethoxy}ethoxy]ethoxy)ethanol (EG4-LC), the latter being a mesogen with a tetra(ethylene glycol) tail. Quantitative characterization of t…
Liquid Crystal Research AdvancementsSurfactants and Colloidal SystemsNonlinear Dynamics and Pattern Formation
Alan Barros de Oliveira、Evy Salcedo、Charusita Chakravarty 等 4 位作者2010-06-17The Journal of Chemical Physics
Molecular dynamics simulations and instantaneous normal mode (INM) analysis of a fluid with core-softened pair interactions and waterlike liquid-state anomalies are performed to obtain an understanding of the relationship between thermodynamics, transport properties, and the potential energy landscape. Rosenfeld scali…
Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesSpectroscopy and Quantum Chemical Studies
D. Matveev、A. Kirschner、A. Litnovsky 等 7 位作者2010-06-17Plasma Physics and Controlled Fusion
The Monte-Carlo neutral transport code 3D-GAPS is described. The code models impurity transport and deposition in remote areas, such as gaps between cells of castellated plasma-facing surfaces. A step-by-step investigation of the interplay of different processes that may influence the deposition inside gaps, namely pa…
Magnetic confinement fusion researchFusion materials and technologiesPlasma Diagnostics and Applications
Haili Gao、Jijun Zhao2010-06-17The Journal of Chemical Physics
First-principles calculations were performed to investigate the binding energies, geometric structures, and electronic properties of 4d transition metal (TM) (particularly, Ru), atoms, and clusters adsorbed outside/inside the single-walled or double-walled carbon nanotubes. The equilibrium adsorption structures of the…
Advancements in Battery MaterialsCarbon Nanotubes in CompositesGraphene research and applications
Jiaming Zhang、Jie Lian、Fuxiang Zhang 等 6 位作者2010-06-17The Journal of Physical Chemistry C
Isometric pyrochlore, A 2 B 2 O 7, has been extensively studied as a phase for the incorporation of actinides because of its use as an inert matrix nuclear fuel and waste form. A critical issue is the effect of cation and anion disordering on the accumulation of radiation damage due to the alpha decay of actinides. Th…
Geological and Geochemical AnalysisAdvanced Condensed Matter PhysicsNuclear materials and radiation effects
Hui Xian、Xingwen Zhang、Xingang Li 等 9 位作者2010-06-17The Journal of Physical Chemistry C
The noble metal free perovskite-type BaFeO 3− x catalyst has been synthesized by a sol−gel method containing a small amount of spinel and carbonate. NO x is stored on both perovskite and carbonate, and the formed nitrate on the perovskite can be transferred to the neighboring carbonates to regenerate the storage sites…
Catalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsIndustrial Gas Emission Control
H.M. Liu、Junhong Guo、Yunjiang Cheng 等 6 位作者2010-06-17Letters in Applied Microbiology
AIMS: To investigate the effect of tea polyphenol (TP) and Hanseniaspora uvarum alone or in combination against Botrytis cinerea in grapes and to evaluate the possible mechanisms involved. METHODS AND RESULTS: TP alone was effective in controlling grey mould in grape at all concentrations. TP at 0.5 and 1.0% in combin…
Plant-Microbe Interactions and ImmunityNanocomposite Films for Food PackagingTea Polyphenols and Effects
Kenichi Kon、Chris Brauer、Kosuke Hidaka 等 5 位作者2010-06-17Langmuir
A large variety of microporous polymer films can be prepared by the breath figure technique. Here, we report on its use for the formation of microporous zinc oxide films. Zinc acetylacetonate, a zinc oxide precursor, is either dissolved in a polymer solution that is cast at high humidity to form microporous films or i…
Advanced Photocatalysis TechniquesMetal-Organic Frameworks: Synthesis and ApplicationsCovalent Organic Framework Applications
Manuela S. Killian、Victoria Wagener、Patrik Schmuki 等 4 位作者2010-06-17Langmuir
We present an innovative method to cover pure magnesium with protein monolayers by utilizing the OH termination of the oxide surface and silane coupling chemistry. The protein of interest was albumin. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) and X-ray photoelectron spectroscopy (XPS) were used to moni…
Bone Tissue Engineering MaterialsCorrosion Behavior and InhibitionMagnesium Alloys: Properties and Applications
Saugata Gon、Marina Bendersky、Jennifer L. Ross 等 4 位作者2010-06-17Langmuir
Toward the development of surfaces for the precise manipulation of proteins, this study explores the fabrication and protein-interactive behavior of a new type of surface containing extremely small (on the order of 10 nm or less) flat adhesive "patches" or islands embedded in and partially concealed by a protein-repel…
Nanoparticle-Based Drug DeliveryElectrospun Nanofibers in Biomedical ApplicationsPolymer Surface Interaction Studies
Asep Bayu Dani Nandiyanto、Ferry Iskandar、Takashi Ogi 等 4 位作者2010-06-17Langmuir
Magnesium fluoride particles with controllable size (from several nanometers to submicrometers) and morphology (spherical and cubic forms) were successfully prepared via liquid-phase synthesis. The particles were synthesized from the reaction of MgCl(2) and NH(4)F in an aqueous solution at 75 degrees C for 1 h under a…
Luminescence Properties of Advanced MaterialsLayered Double Hydroxides Synthesis and ApplicationsMagnesium Oxide Properties and Applications
M. Zanatta、G. Baldi、Silvia Caponi 等 12 位作者2010-06-17Physical Review B
Raman, Brillouin light, and x-ray scattering measurements have been carried out to characterize the low-frequency vibrational dynamics of the ${\text{SiO}}_{2}$ glass as function of its density. The obtained results demonstrate that while the distribution of the low-frequency states in the boson peak range is conserve…
High-pressure geophysics and materialsMaterial Dynamics and PropertiesGlass properties and applications
Yong Zhu、Xingyou Lang、Weitao Zheng 等 4 位作者2010-06-17ACS Nano
For electrical conductance in polycrystalline metallic films and wires, the reflection coefficient of electrons at grain boundaries is explored and found to be proportional to the square root of the melting points of metals. As validated by available experimental results, this exploration enables classical models to t…
Semiconductor materials and devicesCopper Interconnects and ReliabilitySurface and Thin Film Phenomena
B. Shadrack Jabes、Manish Agarwal、Charusita Chakravarty2010-06-17The Journal of Chemical Physics
Molecular dynamics simulations of the Oeffner-Elliot model of germania (GeO(2)) are performed to identify nested regions of anomalous behavior in structural order, diffusivity, and pair entropy in the density-temperature plane, analogous to that seen in BeF(2), SiO(2), and H(2)O. The decreasing constraint of local tet…
Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesIonic liquids properties and applications
Lijun Zhang、David J. Singh2010-06-17Physical Review B
The layered $\text{PbTe}:{\text{Bi}}_{2}{\text{Te}}_{3}$ intergrowth compound, ${\text{PbBi}}_{2}{\text{Te}}_{4}$, and related materials are investigated using first-principles calculations and Boltzmann transport theory. The electronic structures of these compounds are closely related to those of the end points, espe…
Advanced Thermoelectric Materials and DevicesThermal properties of materialsThermal Expansion and Ionic Conductivity
Arnaud Magrez、Jin Won Seo、Rita Smajda 等 8 位作者2010-06-17ACS Nano
In many applications like photovoltaics, fuel cells, batteries, or interconnects in integrated circuits carbon nanotubes (CNTs) have the role of charge transport electrodes. The building of such devices requires an in situ growth of CNTs at temperatures where the structure or chemical composition of the functional mat…
Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications