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Radical Covalent Organic Frameworks: A General Strategy to Immobilize Open‐Accessible Polyradicals for High‐Performance Capacitive Energy Storage

Fei Xu、Hong Xu、Xiong Chen 等 9 位作者2015-04-23Angewandte Chemie

Abstract Ordered π‐columns and open nanochannels found in covalent organic frameworks (COFs) could render them able to store electric energy. However, the synthetic difficulty in achieving redox‐active skeletons has thus far restricted their potential for energy storage. A general strategy is presented for converting…

Metal-Organic Frameworks: Synthesis and ApplicationsAdvanced Battery Materials and TechnologiesCovalent Organic Framework Applications

Investigation of electron-phonon coupling in epitaxial silicene byin situRaman spectroscopy

Jincheng Zhuang、Xun Xu、Yi Du 等 10 位作者2015-04-23Physical Review B

We report that the special coupling between Dirac fermion and lattice vibrations, in other words, electron-phonon coupling (EPC), in silicene layers on an Ag(111) surface was probed by in situ Raman spectroscopy. We find the EPC is significantly modulated due to tensile strain, which results from the lattice mismatch…

Carbon Nanotubes in CompositesGraphene research and applicationsSilicon Nanostructures and Photoluminescence

High-pressure structure, decomposition, and superconductivity ofMoS2

Oto Kohulák、Roman Martoňák、Erio Tosatti2015-04-23Physical Review B

The high pressure structural and electronic evolution of bulk ${\mathrm{MoS}}_{2}$, an important transition metal layered dichalchogenide, is currently under active investigation, particularly in search of superconductivity. Recent theoretical and experimental work predicted and verified a $2{H}_{c}\ensuremath{\righta…

2D Materials and ApplicationsIron-based superconductors researchMXene and MAX Phase Materials

False Prediction of Fundamental Properties of Metals by Hybrid Functionals

Weiwei Gao、Tesfaye A. Abtew、Tianyi Cai 等 6 位作者2015-04-23arXiv

The repercussions of an inaccurate account of electronic states near the Fermi level EF by hybrid functionals in predicting several important metallic properties are investigated. The diffculties in- clude a vanishing or severely suppressed density of states (DOS) at EF, significantly widened valence bandwidth, greatl…

Materials Science

Lattice Boltzmann simulations of a viscoelastic shear-thinning fluid

S. Papenkort、Th. Voigtmann2015-04-23arXiv

We present a hybrid lattice Boltzmann algorithm for the simulation of flow glass-forming fluids, characterized by slow structural relaxation, at the level of the Navier-Stokes equation. The fluid is described in terms of a nonlinear integral constitutive equation, relating the stress tensor locally to the history of f…

Materials ScienceSoft Condensed Matter

Excited states at interfaces of a metal-supported ultrathin oxide film

T. Jaouen、E. Razzoli、C. Didiot 等 8 位作者2015-04-23Physical Review B

We report layer-resolved measurements of the unoccupied electronic structure of ultrathin MgO films grown on Ag(001). The metal-induced gap states at the metal/oxide interface, the oxide band gap, and a surface core exciton involving an image-potential state of the vacuum are revealed through resonant Auger spectrosco…

ZnO doping and propertiesSemiconductor materials and devicesElectronic and Structural Properties of Oxides

Skyrmion Motion Driven by Oscillating Magnetic Field

Kyoung-Woong Moon、Duck-Ho Kim、Soong-Geun Je 等 8 位作者2015-04-23arXiv

Magnetic skyrmion motion induced by an electric current has drawn much interest because of its application potential in next-generation magnetic memory devices. Recently, unidirectional skyrmion motion driven by an oscillating magnetic field was also demonstrated on large (20 micrometer) bubble domains with skyrmion t…

Materials Science

Artefacts in geometric phase analysis of compound materials

Jonathan J. P. Petersa、Richard Beanland、Marin Alexe 等 7 位作者2015-04-23arXiv

The geometric phase analysis (GPA) algorithm is known as a robust and straightforward technique that can be used to measure lattice strains in high resolution transmission electron microscope (TEM) images. It is also attractive for analysis of aberration-corrected scanning TEM (ac-STEM) images that resolve every atom…

Materials Science

Three-Dimensional Phase Field Simulations of Hysteresis and Butterfly Loops by Finite Volume Method

Ma Zhi、Li-Ying Xi、Huan-Ming Chen 等 6 位作者2015-04-23arXiv

Three-dimensional (3D) simulations of ferroelectric hysteresis and butterfly loops have been carried out based on solving the time dependent Ginsburg-Landau equations by using a finite volume method. The influence of externally mechanical loadings with a tensile strain and a compressive strain on the hysteresis and bu…

Materials Science

Adhesion and material transfer between contacting Al and TiN surfaces from first principles

Gregor Feldbauer、Michael Wolloch、Pedro O. Bedolla 等 6 位作者2015-04-23arXiv

A series of density functional theory (DFT) simulations was performed to investigate the approach, contact, and subsequent separation of two atomically flat surfaces consisting of different materials. Aluminum (Al) and titanium nitride (TiN) slabs were chosen as a model system representing a metal-ceramic interface an…

Materials Science

Ambiguity assessment of small-angle scattering curves from monodisperse systems

Maxim V. Petoukhov、Dmitri I. Svergun2015-04-23Acta Crystallographica Section D Biological Crystallography

A novel approach is presented for an a priori assessment of the ambiguity associated with spherically averaged single-particle scattering. The approach is of broad interest to the structural biology community, allowing the rapid and model-independent assessment of the inherent non-uniqueness of three-dimensional shape…

Protein Structure and DynamicsEnzyme Structure and FunctionX-ray Spectroscopy and Fluorescence Analysis

Improved Energy Storage Properties of Fine‐Crystalline BaTiO 3 Ceramics by Coating Powders with Al 2 O 3 and SiO 2

Baibo Liu、Xiaohui Wang、Qiancheng Zhao 等 4 位作者2015-04-23Journal of the American Ceramic Society

The multilayer structure of capacitor demands for fine grain size of dielectric ceramics in devices, because the thinner layer which needs ceramics with fine grain size is helpful in enlarging the capacitance. In this paper, the aqueous chemical coating method was utilized to modify the BaTiO 3 particles. The fine‐cry…

Ferroelectric and Piezoelectric MaterialsElectromagnetic wave absorption materialsDielectric materials and actuators

Temperature Stability of Lead‐Free Niobate Piezoceramics with Engineered Morphotropic Phase Boundary

Ruiping Wang、Ke Wang、Fang‐Zhou Yao 等 8 位作者2015-04-23Journal of the American Ceramic Society

The temperature dependence of piezoelectric properties (direct piezoelectric coefficient d 33 , converse piezoelectric coefficient d 33 ( E = 0), strain S and electromechanical coupling coefficient k p ) for two niobate‐based lead‐free piezoceramics have been contrasted. 0.92(Na 0.5 K 0.5 )NbO 3 –0.02(Bi 1/2 Li 1/2 )T…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsAcoustic Wave Resonator Technologies

Atomically thin dilute magnetism in Co-doped phosphorene

Leandro Seixas、Alexandra Carvalho、A. H. Castro Neto2015-04-23Physical Review B

Two-dimensional dilute magnetic semiconductors can provide fundamental insights into the very nature of magnetic order and their manipulation through electron and hole doping. Besides the fundamental interest, due to the possibility of control of charge density, they can be extremely important in spintronics applicati…

ZnO doping and properties2D Materials and ApplicationsElectronic and Structural Properties of Oxides

Nanomedicines Based Drug Delivery Systems for Anti-Cancer Targeting and Treatment

Vikas Jain、Shikha Jain、Srushti Mahajan2015-04-23Current Drug Delivery

Cancer is defined as an uncontrolled growth of abnormal cells. Current treatment strategies for cancer include combination of radiation, chemotherapy and surgery. The long-term use of conventional drug delivery systems for cancer chemotherapy leads to fatal damage of normal proliferate cells and this is particularly u…

Nanoparticle-Based Drug DeliveryRNA Interference and Gene DeliveryNanoplatforms for cancer theranostics

Antibacterial activity of silver-killed bacteria: the "zombies" effect

Racheli Ben‐Knaz、Rami Pedahzur、David Avnir2015-04-23Scientific Reports

We report a previously unrecognized mechanism for the prolonged action of biocidal agents, which we denote as the zombies effect: biocidally-killed bacteria are capable of killing living bacteria. The concept is demonstrated by first killing Pseudomonas aeruginosa PAO1 with silver nitrate and then challenging, with th…

Nanoparticles: synthesis and applicationsBacterial biofilms and quorum sensingChemistry and Chemical Engineering

Vacancy-Induced Formation and Growth of Inversion Domains in Transition-Metal Dichalcogenide Monolayer

Junhao Lin、Sokrates T. Pantelides、Wu Zhou2015-04-23ACS Nano

Sixty degree grain boundaries in semiconducting transition-metal dichalcogenide (TMDC) monolayers have been shown to act as conductive channels that have profound influence on both the transport properties and exciton behavior of the monolayers. Here, we show that annealing TMDC monolayers at high temperature induces…

Perovskite Materials and Applications2D Materials and ApplicationsQuantum Dots Synthesis And Properties

Superlattices assembled through shape-induced directional binding

Fang Lu、Kevin G. Yager、Yugang Zhang 等 5 位作者2015-04-23Nature Communications

Organization of spherical particles into lattices is typically driven by packing considerations. Although the addition of directional binding can significantly broaden structural diversity, nanoscale implementation remains challenging. Here we investigate the assembly of clusters and lattices in which anisotropic poly…

Polymer Surface Interaction StudiesSupramolecular Self-Assembly in MaterialsPickering emulsions and particle stabilization

Metal Redispersion Strategies for Recycling of Supported Metal Catalysts: A Perspective

Kevin T. Morgan、Alexandre Goguet、Christopher Hardacre2015-04-23ACS Catalysis

Catalyst deactivation is ultimately inevitable, and one of the processes known to cause deactivation is sintering of metal particles. Consequently, numerous methods to reverse the sintering process by redispersing metal nanoparticles have been developed. These methods are discussed in this perspective, and the reporte…

Catalytic Processes in Materials ScienceCopper-based nanomaterials and applicationsNanomaterials for catalytic reactions

Early response to nanoparticles in the Arabidopsis transcriptome compromises plant defence and root-hair development through salicylic acid signalling

Susana Correa Garcı́a、Irantzu Bernales、Susana Cristóbal2015-04-23BMC Genomics

BACKGROUND: The impact of nano-scaled materials on photosynthetic organisms needs to be evaluated. Plants represent the largest interface between the environment and biosphere, so understanding how nanoparticles affect them is especially relevant for environmental assessments. Nanotoxicology studies in plants allude t…

Plant Stress Responses and TolerancePlant-Microbe Interactions and ImmunityNanoparticles: synthesis and applications