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Constraints on the phase diagram of molybdenum from first-principles free-energy calculations

Claudio Cazorla、Dario Alfè、M. J. Gillan2012-02-16Physical Review B

We use first-principles techniques to reexamine the suggestion that transitions seen in high-$P$ experiments on Mo are solid-solid transitions from the bcc structure to either the fcc or hcp structures. We confirm that in the quasiharmonic approximation the free energies of fcc and hcp structures become lower than tha…

Fusion materials and technologiesMicrostructure and mechanical propertiesAdvanced Chemical Physics Studies

Terahertz Generation and Amplification in Graphene Nanoribbons in Multi-frequency Electric Fields

M. Rabiu、S. Y. Mensah、S. S. Abukari2012-02-16arXiv

We study theoretically a multi-frequency response of electrons in confined graphene subject to dc-ac driven fields. We explore the possibility for using graphene nanoribbons (GNRs) to generate and amplify terahertz (THz) radiations in electric field domainless regime. We discover two main important schemes of generati…

Materials ScienceMesoscale and Nanoscale Physics

Cyano‐Bridged MnIIIMIII Single‐Chain Magnets with MIII=CoIII, FeIII, MnIII, and CrIII

Hitoshi Miyasaka、T. Madanbashi、Ayumi Saitoh 等 9 位作者2012-02-16Chemistry - A European Journal

A series of isostructural cyano-bridged Mn(III)(h.s.)-M(III)(l.s.) alternating chains, [Mn(III)(5-TMAMsalen)M(III)(CN)(6)]⋅4H(2)O (5-TMAMsalen(2-)=N,N'-ethylenebis(5-trimethylammoniomethylsalicylideneiminate), Mn(III)(h.s.)=high-spin Mn(III), M(III)(l.s.)=low-spin Co(III), Mn-Co; Fe(III), Mn-Fe; Mn(III), Mn-Mn; Cr(III…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesOrganic and Molecular Conductors Research

Luminescent Lanthanide Complexes with Analyte-Triggered Antenna Formation

Elias Pershagen、Johan Nordholm、K. Eszter Borbas2012-02-16Journal of the American Chemical Society

A new strategy for accessing analyte-responsive luminescent probes is presented. The lanthanide luminescence of Eu and Tb centers is switched on by the analyte-triggered formation of a sensitizing antenna from a nonsensitizing caged precursor. As the cage can be freely varied, an array of probes for different analytes…

Magnetism in coordination complexesMedical Imaging Techniques and ApplicationsLanthanide and Transition Metal Complexes

Disorder promotes ferromagnetism: Rounding of the quantum phase transition in Sr_{1-x}Ca_xRuO_3

L. Demko、S. Bordacs、T. Vojta 等 11 位作者2012-02-16arXiv

The subtle interplay of randomness and quantum fluctuations at low temperatures gives rise to a plethora of unconventional phenomena in systems ranging from quantum magnets and correlated electron materials to ultracold atomic gases. Particularly strong disorder effects have been predicted to occur at zero-temperature…

cond-mat.dis-nnMaterials Science

Physical properties ofAxFe2−yS2(A=K, Rb, and Cs) single crystals

Jianjun Ying、Ziji Xiang、Zhipeng Li 等 8 位作者2012-02-16Physical Review B

We successfully synthesized two new compounds, Rb${}_{x}$Fe${}_{2\ensuremath{-}y}$S${}_{2}$ and Cs${}_{x}$Fe${}_{2\ensuremath{-}y}$S${}_{2}$, which are isostructural with a K${}_{x}$Fe${}_{2\ensuremath{-}y}$Se${}_{2}$ superconductor. We systematically investigated the resistivity, magnetism, and thermoelectric power o…

Iron-based superconductors researchRare-earth and actinide compoundsCrystal Structures and Properties

Study of the local field distribution on a single-molecule magnet-by a single paramagnetic crystal; a DPPH crystal on the surface of an Mn12-acetate crystal

Dijana Zilic、Boris Rakvin、Naresh S. Dalal2012-02-16arXiv

The local magnetic field distribution on the subsurface of a single-molecule magnet crystal, SMM, above blocking temperature (T >> Tb) detected for a very short time interval (~ 10-10 s), has been investigated. Electron Paramagnetic Resonance (EPR) spectroscopy using a local paramagnetic probe was employed as a simple…

Chemical PhysicsMaterials Science

Doping front instabilities in organic semiconductors: a means for optimizing optoelectronic devices

V. Bychkov、O. Yukhimenko、M. Modestov 等 4 位作者2012-02-16arXiv

Recently, it was demonstrated that electrochemical doping fronts in organic semiconductors ex- hibit a new fundamental instability growing from multidimensional perturbations [Phys. Rev. Lett. 107, 016103 (2011)]. In the instability development, linear growth of tiny perturbations goes over into a nonlinear stage of s…

Materials Science

First principles study of water-based self-assembled nanobearing effect in CrN/TiN multilayer coatings

David Holec、Jörg Paulitsch、Paul H. Mayrhofer2012-02-16arXiv

Recently, we have reported on low friction CrN/TiN coatings deposited using a hybrid sputtering technique. These multilayers exhibit friction coefficients $μ$ below 0.1 when tested in atmosphere with a relative humidity $\approx25%$, but $μ$ ranges between 0.6-0.8 upon decreasing the humidity below 5%. Here we use fir…

Materials Science

Single crystals of DPPH grown from diethyl ether and carbon disulfide solutions - Crystal structures, IR, EPR and magnetization studies

Dijana Zilic、Damir Pajic、Marijana Juric 等 7 位作者2012-02-16arXiv

Single crystals of the free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) obtained from diethyl ether (ether) and carbon disulfide (CS2) were characterized by the X-ray diffraction, IR, EPR and SQUID magnetization techniques. The X-ray structural analysis and IR spectra showed that the DPPH form crystallized from ether…

Chemical PhysicsMaterials Science

Secondary emission from synthetic opal infiltrated by colloidal gold and glycine

G. Dovbeshko、O. Fesenko、V. Boyko 等 8 位作者2012-02-16arXiv

A comparison of the secondary emission (photoluminescence) and Bragg reflection spectra of photonic crystals (PC), namely, synthetic opals, opals infiltrated by colloidal gold, glycine, and a complex of colloidal gold with glycine is performed. The infiltration of colloidal gold and a complex of colloidal gold with gl…

Materials Sciencephysics.optics

Diffusion-Controlled Detection of Trinitrotoluene: Interior Nanoporous Structure and Low Highest Occupied Molecular Orbital Level of Building Blocks Enhance Selectivity and Sensitivity

Yanke Che、Dustin E. Gross、Helin Huang 等 10 位作者2012-02-16Journal of the American Chemical Society

Development of simple, cost-effective, and sensitive fluorescence-based sensors for explosives implies broad applications in homeland security, military operations, and environmental and industrial safety control. However, the reported fluorescence sensory materials (e.g., polymers) usually respond to a class of analy…

Molecular Sensors and Ion DetectionLuminescence and Fluorescent MaterialsCarbon and Quantum Dots Applications

Thin SnO2 Nanowires with Uniform Diameter as Excellent Field Emitters: A Stability of More Than 2400 Minutes

Xiaosheng Fang、Jian Yan、Linfeng Hu 等 5 位作者2012-02-16Advanced Functional Materials

Abstract The stability of a field‐emission event, i.e., the stability of the emission current over a long period of time, against thermal effects, etc., is one of the key factors for its application in real devices. Although nanostructures have the advantages of high aspect ratios and faster device turn‐on times, the…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsGa2O3 and related materials

Effects of Copper Nanoparticles on Rat Cerebral Microvessel Endothelial Cells

William J. Trickler、Susan M. Lantz、Amanda M. Schrand 等 11 位作者2012-02-16Nanomedicine

AIM: The purpose of the current study was to determine whether copper nanoparticles (Cu-NPs) can induce the release of proinflammatory mediators that influence the restrictive characteristics of the blood-brain barrier. MATERIAL & METHODS: Confluent rat brain microvessel endothelial cells (rBMECs) were treated with we…

Nanoparticles: synthesis and applicationsBarrier Structure and Function StudiesNanoparticle-Based Drug Delivery

Multifunctional Nanocapsules for Simultaneous Encapsulation of Hydrophilic and Hydrophobic Compounds and On-Demand Release

Shang‐Hsiu Hu、San‐Yuan Chen、Xiaohu Gao2012-02-16ACS Nano

Cocktail therapy by delivering multiple drugs to diseased cells can elicit synergistic therapeutic effects and better modulate the complex cell-signaling network. Besides selection of drug combinations, a difficulty in delivery is how to encapsulate drugs with various solubility into a common vehicle, particularly whe…

Supramolecular Self-Assembly in MaterialsNanoparticle-Based Drug DeliveryRNA Interference and Gene Delivery

Theory of Chiral Plasmonic Nanostructures Comprising Metal Nanocrystals and Chiral Molecular Media

Alexander O. Govorov、Zhiyuan Fan2012-02-16ChemPhysChem

Plasmonic nanocrystals strongly interact with chiral molecular shells through electric and magnetic fields and in this way acquire new chiro-optical properties. Transfer of chirality from biomolecules to the plasmonic resonances is a collective phenomenon and strongly depends on the geometry of nanostructure. Collecti…

Metamaterials and Metasurfaces ApplicationsMolecular spectroscopy and chiralitySpectroscopy and Quantum Chemical Studies

Spectroscopy of carbon: from diamond to nitride films

S. Kačiulis2012-02-16Surface and Interface Analysis

Every surface scientist knows about the importance of carbon spectroscopy: the signals of C 1 s and C KLL usually are indicating the surface cleanness, whereas C 1 s peak is often used as a reference for the calibration of energy scale. Carbon spectroscopy becomes even more important in the case of the studies dedicat…

Semiconductor materials and devicesMetal and Thin Film MechanicsDiamond and Carbon-based Materials Research

Integrated Diamond Networks for Quantum Nanophotonics

Birgit J. M. Hausmann、Brendan Shields、Qimin Quan 等 11 位作者2012-02-16Nano Letters

We demonstrate an integrated nanophotonic network in diamond, consisting of a ring resonator coupled to an optical waveguide with grating in- and outcouplers. Using a nitrogen-vacancy color center embedded inside the ring resonator as a source of photons, single photon generation and routing at room temperature is obs…

Diamond and Carbon-based Materials ResearchNonlinear Optical Materials StudiesNear-Field Optical Microscopy

Structure-property relationships of a biological mesocrystal in the adult sea urchin spine

Jong Seto、Yurong Ma、Sean A. Davis 等 12 位作者2012-02-16OpenAlex

Structuring over many length scales is a design strategy widely used in Nature to create materials with unique functional properties. We here present a comprehensive analysis of an adult sea urchin spine, and in revealing a complex, hierarchical structure, show how Nature fabricates a material which diffracts as a sin…

Cephalopods and Marine BiologyCalcium Carbonate Crystallization and InhibitionBone Tissue Engineering Materials

Controlled Synthesis and Single-Particle Imaging of Bright, Sub-10 nm Lanthanide-Doped Upconverting Nanocrystals

Alexis D. Ostrowski、Emory M. Chan、Daniel J. Gargas 等 8 位作者2012-02-16OpenAlex

Phosphorescent nanocrystals that upconvert near-infrared light to emit at higher energies in the visible have shown promise as photostable, nonblinking, and background-free probes for biological imaging. However, synthetic control over upconverting nanocrystal size has been difficult, particularly for the brightest sy…

Luminescence Properties of Advanced MaterialsQuantum Dots Synthesis And PropertiesNanocluster Synthesis and Applications