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Large scale GW calculations

Marco Govoni、Giulia Galli2015-01-13arXiv

We present GW calculations of molecules, ordered and disordered solids and interfaces, which employ an efficient contour deformation technique for frequency integration, and do not require the explicit evaluation of virtual electronic states, nor the inversion of dielectric matrices. We also present a parallel impleme…

Materials Science

General transmission conditions for thin elasto-plastic pressure-dependent interphase between dissimilar materials

M. Sonato、A. Piccolroaz、W. Miszuris 等 4 位作者2015-01-13arXiv

We consider a thin soft adhesive interphase between dissimilar elastic media. The material of the intermediate layer is modelled by elasto-plastic pressure-sensitive constitutive law. An asymptotic procedure, together with a novel formulation of the deformation theory of plasticity for pressure-sensitive materials, is…

Materials Science

Skyrmion-skyrmion and skyrmion-edge repulsions in skyrmion-based racetrack memory

Xichao Zhang、G. P. Zhao、Hans Fangohr 等 7 位作者2015-01-13arXiv

Magnetic skyrmions are promising for building next-generation magnetic memories and spintronic devices due to their stability, small size and the extremely low currents needed to move them. In particular, skyrmion-based racetrack memory is attractive for information technology, where skyrmions are used to store inform…

Materials ScienceMesoscale and Nanoscale Physics

Three-dimensional imaging of dislocation propagation during crystal growth and dissolution

Jesse N. Clark、Johannes Ihli、Anna S. Schenk 等 9 位作者2015-01-13arXiv

Atomic level defects such as dislocations play key roles in determining the macroscopic properties of crystalline materials. Their effects are important and wide-reaching, and range from increased chemical reactivity to enhanced mechanical properties to vastly increased rates of crystal growth. Dislocations have there…

Materials Science

The Electronic and Magnetic Properties of Magnetoresistant Nd1-xSrxMnAsO Oxyarsenides

E. J. Wildman、N. Emery、A. C. Mclaughlin2015-01-13arXiv

The oxypnictides Nd1-xSrxMnAsO have been successfully synthesised with x up to 0.1. A synchrotron X-ray diffraction study demonstrates that there is no change in crystal symmetry upon doping with Sr. An expansion of the inter-layer distance between Nd-O-Nd and As-Mn-As blocks is observed with increasing x. Results fro…

Materials Science

Longitudinal evolution of magnetization of ferromagnets following ultrafast demagnetization: Role of finite size and shape of demagnetized region

I. A. Yastremsky2015-01-13arXiv

A dependence of a relaxation rate on the shape of the demagnetized region for a longitudinal evolution of total magnetization to its equilibrium value following the ultrafast demagnetization is demonstrated. This shape-dependence is caused by a motion of the wave front inside the demagnetized region. The contribution…

Materials Science

Superconductivity in efficient thermoelectric Cu$_3$Sb$_{0.98}$Al$_{0.02}$Se$_4$

Xiao-Miao Zhao、Yong-Hui Zhou、Qiao-Wei Huang 等 11 位作者2015-01-13arXiv

Both superconductivity and thermoelectricity offer promising prospects for daily energy efficiency applications. The advancements of thermoelectric materials have led to the huge improvement of the thermoelectric figure of merit in the past decade. By applying pressure on a highly efficient thermoelectric material Cu$…

Materials ScienceSuperconductivity

Recent Advances in the Use of Sodium Borohydride as a Solid State Hydrogen Store

Jianfeng Mao、Duncan H. Gregory2015-01-13Energies

The development of new practical hydrogen storage materials with high volumetric and gravimetric hydrogen densities is necessary to implement fuel cell technology for both mobile and stationary applications. NaBH4, owing to its low cost and high hydrogen density (10.6 wt%), has received extensive attention as a promis…

Ammonia Synthesis and Nitrogen ReductionHybrid Renewable Energy SystemsHydrogen Storage and Materials

Radiation Tolerance of Nanocrystalline Ceramics: Insights from Yttria Stabilized Zirconia

Sanchita Dey、John W. Drazin、Yongqiang Wang 等 7 位作者2015-01-13Scientific Reports

Materials for applications in hostile environments, such as nuclear reactors or radioactive waste immobilization, require extremely high resistance to radiation damage, such as resistance to amorphization or volume swelling. Nanocrystalline materials have been reported to present exceptionally high radiation-tolerance…

Advanced ceramic materials synthesisNuclear Materials and PropertiesNuclear materials and radiation effects

Potent Antibacterial Nanoparticles for Pathogenic Bacteria

Hong-Zheng Lai、Wei‐Yu Chen、Ching‐Yi Wu 等 4 位作者2015-01-13ACS Applied Materials & Interfaces

Antibiotic-resistant bacteria have emerged because of the prevalent use of antibacterial agents. Thus, new antibacterial agents and therapeutics that can treat bacterial infections are necessary. Vancomycin is a potent antibiotic. Unfortunately, some bacterial strains have developed their resistance toward vancomycin.…

Gold and Silver Nanoparticles Synthesis and ApplicationsNanoparticles: synthesis and applicationsQuantum Dots Synthesis And Properties

Interfacial and rheological properties of PLA/PBAT and PLA/PBSA blends and their morphological stability under shear flow

Mohammadreza Nofar、Amirhossein Maani、Hossein Sojoudi 等 5 位作者2015-01-13Journal of Rheology

Blends of 75 wt. % amorphous polylactide (PLA) with 25 wt. % poly[(butylene succinate)-co-adipate] (PBSA) and poly[(butylene adipate)-co-terephthalate] were separately prepared using an internal batch mixer. The morphology and viscoelastic properties of these two blends were analyzed and compared. Annealing did not ca…

biodegradable polymer synthesis and propertiesMicroplastics and Plastic PollutionPolymer crystallization and properties

Highly Angiogenic Peptide Nanofibers

Vivek Kumar、Nichole L. Taylor、Siyu Shi 等 8 位作者2015-01-13ACS Nano

Major limitations of current tissue regeneration approaches using artificial scaffolds are fibrous encapsulation, lack of host cellular infiltration, unwanted immune responses, surface degradation preceding biointegration, and artificial degradation byproducts. Specifically, for scaffolds larger than 200-500 μm, impla…

Neuropeptides and Animal PhysiologySupramolecular Self-Assembly in MaterialsElectrospun Nanofibers in Biomedical Applications

Introducing Amphiphilicity to Noble Metal Nanoclusters via Phase-Transfer Driven Ion-Pairing Reaction

Qiaofeng Yao、Xun Yuan、Yong Yu 等 6 位作者2015-01-13Journal of the American Chemical Society

Amphiphilicity is a surface property that has yet to be explored for the noble metal nanoclusters (NCs). This article shows how amphiphilicity may be added to sub-2-nm metal NCs by patching hydrophilic NCs (e.g., Au25(MHA)18 NCs where MHA is 6-mercaptohexanoic acid) with hydrophobic cations (e.g., cetyltrimethylammoni…

Nanocluster Synthesis and ApplicationsAdvanced Nanomaterials in CatalysisGold and Silver Nanoparticles Synthesis and Applications

Recoverable plasticity in penta-twinned metallic nanowires governed by dislocation nucleation and retraction

Qingquan Qin、Sheng Yin、Guangming Cheng 等 8 位作者2015-01-13Nature Communications

There has been relatively little study on time-dependent mechanical properties of nanowires, in spite of their importance for the design, fabrication and operation of nanoscale devices. Here we report a dislocation-mediated, time-dependent and fully reversible plastic behaviour in penta-twinned silver nanowires. In si…

ZnO doping and propertiesMetal and Thin Film MechanicsMicrostructure and mechanical properties

Self-catalyzed Growth of Large-Area Nanofilms of Two-Dimensional Carbon

Xuemin Qian、Huibiao Liu、Changshui Huang 等 8 位作者2015-01-13Scientific Reports

The graphdiyne (GD), a carbon allotrope with a 2D structure comprising benzene rings and carbon-carbon triple bonds, can be synthesized through cross-coupling on the surface of copper foil. The key problem is in understanding the dependence of layers number and properties, however, the controlled growth of the layers…

2D Materials and ApplicationsGraphene research and applicationsThermal properties of materials

Cu3-xP Nanocrystals as a Material Platform for Near-Infrared Plasmonics and Cation Exchange Reactions

Luca De Trizio、Roberto Gaspari、Giovanni Bertoni 等 13 位作者2015-01-13Chemistry of Materials

High Resolution Image Download MS PowerPoint Slide Synthesis approaches to colloidal Cu 3 P nanocrystals (NCs) have been recently developed, and their optical absorption features in the near-infrared (NIR) have been interpreted as arising from a localized surface plasmon resonance (LSPR). Our pump–probe measurements o…

Copper-based nanomaterials and applicationsGold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And Properties

Engineering two-dimensional superconductivity and Rashba spin–orbit coupling in LaAlO3/SrTiO3 quantum wells by selective orbital occupancy

G. Herranz、Gyanendra Singh、N. Bergeal 等 11 位作者2015-01-13Nature Communications

The discovery of two-dimensional electron gases (2DEGs) at oxide interfaces-involving electrons in narrow d-bands-has broken new ground, enabling the access to correlated states that are unreachable in conventional semiconductors based on s- and p- electrons. There is a growing consensus that emerging properties at th…

Magnetic and transport properties of perovskites and related materialsAtomic and Subatomic Physics ResearchElectronic and Structural Properties of Oxides

The Impact of Aspect Ratio on the Biodistribution and Tumor Homing of Rigid Soft‐Matter Nanorods

Sourabh Shukla、Fabian J. Eber、Adithy S. Nagarajan 等 10 位作者2015-01-13Advanced Healthcare Materials

The size and shape of nanocarriers can affect their fate in vivo, but little is known about the effect of nanocarrier aspect ratio on biodistribution in the setting of cancer imaging and drug delivery. The production of nanoscale anisotropic materials is a technical challenge. A unique biotemplating approach based on…

Graphene and Nanomaterials ApplicationsNanoparticle-Based Drug DeliveryNanoplatforms for cancer theranostics

Selective Aerobic Oxidation of HMF to 2,5‐Diformylfuran on Covalent Triazine Frameworks‐Supported Ru Catalysts

Jens Artz、Sabrina Mallmann、Regina Palkovits2015-01-13ChemSusChem

The selective aerobic oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-diformylfuran has been performed under mild conditions at 80 °C and 20 bar of synthetic air in methyl t-butyl ether. Ru clusters supported on covalent triazine frameworks (CTFs) allowed excellent selectivity and superior catalytic activity compare…

Metal-Organic Frameworks: Synthesis and ApplicationsCatalysis for Biomass ConversionCovalent Organic Framework Applications

Fluorescent Flippers for Mechanosensitive Membrane Probes

Marta Dal Molin、Quentin Vérolet、Adai Colom 等 10 位作者2015-01-13Journal of the American Chemical Society

In this report, "fluorescent flippers" are introduced to create planarizable push-pull probes with the mechanosensitivity and fluorescence lifetime needed for practical use in biology. Twisted push-pull scaffolds with large and bright dithienothiophenes and their S,S-dioxides as the first "fluorescent flippers" are sh…

Lipid Membrane Structure and BehaviorLuminescence and Fluorescent MaterialsMolecular Sensors and Ion Detection