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Hydrogen storage in Li-doped fullerene-intercalated hexagonal boron nitrogen layers

Yihan Cheng、Chuanyu Zhang、Juan Ren 等 4 位作者2016-04-04Frontiers of Physics

New materials for hydrogen storage of Li-doped fullerene (C20, C28, C36, C50, C60, C70)-intercalated hexagonal boron nitrogen (h-BN) frameworks were designed by using density functional theory (DFT) calculations. First-principles molecular dynamics (MD) simulations showed that the structures of the C n -BN (n = 20, 28…

Advancements in Battery MaterialsHydrogen Storage and MaterialsBoron and Carbon Nanomaterials Research

Asymmetric structure of90∘domain walls and interactions with defects inPbTiO3

Anand Chandrasekaran、Xian‐Kui Wei、Ludwig Feigl 等 6 位作者2016-04-04Physical review. B./Physical review. B

Using a combination of first-principles calculation and high-resolution scanning TEM, the authors report novel structural characteristics of the ferreoelastic 90${}^{\ensuremath{\circ}}$ domain wall in PbTiO${}_{3}$. They highlight the discovery of a sharp discontinuity in the variation of the lattice parameters acros…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsElectronic and Structural Properties of Oxides

3D Transition Metal Ordering and Rietveld Stacking Fault Quantification in the New Oxychalcogenides La2O2Cu2–4xCd2xSe2

Chris M. Ainsworth、James W. Lewis、Chun‐Hai Wang 等 7 位作者2016-04-04Chemistry of Materials

A number of LnOCuCh (Ln = La–Nd, Bi; Ch = S, Se, Te) compounds have been reported in the literature built from alternating layers of fluorite-like [Ln 2 O 2 ] 2+ sheets and antifluorite-like [M 2 Se 2 ] 2– sheets, where M is in the +1 oxidation state leading to full occupancy of available MSe 4/2 tetrahedral sites. Th…

Crystal Structures and PropertiesAdvanced Condensed Matter PhysicsIron-based superconductors research

Polymer Surface Transport Is a Combination of in-Plane Diffusion and Desorption-Mediated Flights

Dapeng Wang、Huai-Ying Chin、Chunlin He 等 5 位作者2016-04-04ACS Macro Letters

Previous studies of polymer motion at solid/liquid interfaces described the transport in the context of a continuous time random walk (CTRW) process, in which diffusion switches between desorption-mediated “flights” (i.e., hopping) and surface-adsorbed waiting-time intervals. However, it has been unclear whether the w…

Block Copolymer Self-AssemblyNanopore and Nanochannel Transport StudiesDiffusion and Search Dynamics

Effects of Cold Plasma on Surface, Thermal and Antimicrobial Release Properties of Chitosan Film

S.K. Pankaj、C. Bueno-Ferrer、N.N. Misra 等 6 位作者2016-04-04JOURNAL OF RENEWABLE MATERIALS

This work aims to analyze the effects of cold atmospheric air plasma treatment of antimicrobial chitosan film with different levels of thymol. Optical characterization of the dielectric barrier discharge showed the generation... | Find, read and cite all the research you need on Tech Science Press

Nanocomposite Films for Food PackagingAntimicrobial agents and applicationsPolydiacetylene-based materials and applications

Forced Air Cooling of Shape-Memory Alloy Actuators for a Prosthetic Hand

Fergus Taylor、ChiKit Au2016-04-04Journal of Computing and Information Science in Engineering

This research paper presents the development of nonconventional actuation technology for use in a prosthetic hand. Shape-memory alloy (SMA) is used for the actuation. SMA is a material which contracts when heated and relaxes when cooled and has a work density 25 times greater than traditional electric motor actuators.…

Advanced Memory and Neural ComputingShape Memory Alloy Transformations

Structures and Electronic Properties of TinV (n = 1–16) Clusters: First-Principles Calculations

Peter L. Rodríguez‐Kessler、Adán R. Rodríguez‐Domínguez2016-04-04The Journal of Physical Chemistry A

Structures and electronic properties of TinV (n = 1-16) clusters have been investigated using density functional theory with the generalized gradient approximatio. The calculations have shown that the TinV clusters favor compact spherical structures having similar conformations to the pure Tin clusters. The results sh…

ZnO doping and propertiesBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials

Temperature Response of Rhodamine B-Doped Latex Particles. From Solution to Single Particles

Antonin Soleilhac、Marion Girod、Philippe Dugourd 等 10 位作者2016-04-04Langmuir

Nanoparticle-based temperature imaging is an emerging field of advanced applications. Herein, the sensitivity of the fluorescence of rhodamine B-doped latex nanoparticles toward temperature is described. Submicrometer size latex particles were prepared by a surfactant-free emulsion polymerization method that allowed a…

Gold and Silver Nanoparticles Synthesis and ApplicationsOlfactory and Sensory Function StudiesAdvanced Chemical Sensor Technologies

Amphiphilic Triblock Copolymers from Poly(2‐oxazoline) with Different Hydrophobic Blocks: Changes of the Micellar Structures upon Addition of a Strongly Hydrophobic Cancer Drug

Sebastian Jaksch、Anita Schulz、Zhenyu Di 等 6 位作者2016-04-04Macromolecular Chemistry and Physics

Amphiphilic triblock copolymers with poly(2‐methyl‐2‐oxazoline) (MeOx) end blocks and a poly(2‐ n ‐butyl‐2‐oxazoline) ( n BuOx) middle block have been found to solubilize large amounts of the cancer drug paclitaxel (PTX) whereas this is not the case when the middle block is more hydrophobic, such as poly(2‐ n ‐nonyl‐2…

Nanoparticle-Based Drug DeliveryAdvanced Polymer Synthesis and CharacterizationDendrimers and Hyperbranched Polymers

Three-Parameter Crystal-Structure Prediction for sp-d-Valent Compounds

Arthur Bialon、Thomas Hammerschmidt、Ralf Drautz2016-04-04Chemistry of Materials

We present a three-dimensional structure-map based on experimental data for compounds that contain sp -block elements and transition metals. The map predicts the correct crystal structure with a probability of 86% and has a confidence of better than 98% that the correct crystal structure is among three predicted cryst…

Crystallography and molecular interactionsMachine Learning in Materials ScienceX-ray Diffraction in Crystallography

Dumbbell silicene: a strain-induced room temperature quantum spin Hall insulator

Tian Zhang、Zhao-Yi Zeng、Yan Cheng 等 5 位作者2016-04-04New Journal of Physics

By the generalized gradient approximation in the framework of density functional theory, we find a new silicon allotrope (called dumbbell silicene) with high stability, which can turn a quantum spin Hall insulator with an inverted band gap through tuning external compression strain, just like in previous silicene. How…

Graphene research and applications2D Materials and ApplicationsTopological Materials and Phenomena

Safety of gadobutrol in more than 1,000 pediatric patients: subanalysis of the GARDIAN study, a global multicenter prospective non-interventional study

on behalf of the GARDIAN study group、Katja Glutig、Ravi Bhargava 等 10 位作者2016-04-04Pediatric Radiology

BACKGROUND: Gadobutrol is a gadolinium-based contrast agent, uniquely formulated at 1.0 mmol/ml. Although there is extensive safety evidence on the use of gadobutrol in adults, few studies have addressed the safety and tolerability of gadobutrol in pediatric patients. OBJECTIVE: This subanalysis of data from the GARDI…

Radioactive element chemistry and processingLanthanide and Transition Metal ComplexesElectron Spin Resonance Studies

Extrinsic response enhancement at the polymorphic phase boundary in piezoelectric materials

Diego A. Ochoa、Giovanni Esteves、Jacob L. Jones 等 6 位作者2016-04-04Applied Physics Letters

Polymorphic phase boundaries (PPBs) in piezoelectric materials have attracted significant interest in recent years, in particular, because of the unique properties that can be found in their vicinity. However, to fully harness their potential as micro-nanoscale functional entities, it is essential to achieve reliable…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesAdhesion, Friction, and Surface Interactions

Graphene‐Wrapped Graphitic Carbon Hollow Spheres: Bioinspired Synthesis and Applications in Batteries and Supercapacitors

Lei Song、Sen Xin、Dawei Xu 等 6 位作者2016-04-04ChemNanoMat

Abstract Inspired by the egg‐like yolk–shell structure, a novel kind of graphene‐wrapped graphitic hollow carbon spheres (G‐graphitic HCS) was designed and fabricated by iron‐catalyzed carbonization of double‐coated polystyrene (PS) spheres. Herein, a thin carbon shell and hollow, hierarchically porous G‐graphitic HCS…

Advancements in Battery MaterialsSupercapacitor Materials and FabricationGraphene and Nanomaterials Applications

Protein and Bacterial Antifouling Behavior of Melt-Coextruded Nanofiber Mats

Si-Eun Kim、Cong Zhang、Abigail A. Advincula 等 5 位作者2016-04-04ACS Applied Materials & Interfaces

Antifouling surfaces are important for biomedical devices to prevent secondary infections and mitigate the effects of the foreign body response. Herein, we describe melt-coextruded poly(ε-caprolactone) (PCL) nanofiber mats grafted with antifouling polymers. Nonwoven PCL fiber mats are produced using a multilayered mel…

Membrane Separation TechnologiesElectrospun Nanofibers in Biomedical ApplicationsMicroplastics and Plastic Pollution

Alginate dialdehyde (AD)-crosslinked casein films: synthesis, characterization and water absorption behavior

S. K. Bajpai、Meenakshi Bajpai、Farhan Ferooz Shah2016-04-04Designed Monomers & Polymers

In this work, for the first time, alginate dialdehyde (AD) has been used as a cross linker to prepare casein films. The films, synthesized, have been characterized by Fourier transform infrared spectroscopy, X-ray diffraction analysis and scanning electron microscopy and thermogravimetric analysis. The films were inve…

Nanocomposite Films for Food PackagingElectrospun Nanofibers in Biomedical ApplicationsMicroencapsulation and Drying Processes

Aspects of electron–phonon interactions with strong forward scattering in FeSe Thin Films on SrTiO 3 substrates

Y Wang、K Nakatsukasa、L Rademaker 等 5 位作者2016-04-04Superconductor Science and Technology

Abstract Mono- and multilayer FeSe thin films grown on SrTiO 3 and BiTiO 3 substrates exhibit a greatly enhanced superconductivity over that found in bulk FeSe. A number of proposals have been advanced for the mechanism of this enhancement. One possibility is the introduction of a cross-interface electron–phonon (e–ph…

Physics of Superconductivity and MagnetismIron-based superconductors researchElectronic and Structural Properties of Oxides

Shear-induced rigidity of frictional particles: Analysis of emergent order in stress space

Sumantra Sarkar、Dapeng Bi、Jie Zhang 等 6 位作者2016-04-04Physical review. E

Solids are distinguished from fluids by their ability to resist shear. In equilibrium systems, the resistance to shear is associated with the emergence of broken translational symmetry as exhibited by a nonuniform density pattern that is persistent, which in turn results from minimizing the free energy. In this work,…

Material Dynamics and PropertiesTheoretical and Computational PhysicsGranular flow and fluidized beds

Phase-field simulation of domain structures and magnetostrictive response in Tb1−xDyxFe2 alloys near morphotropic phase boundary

Chengchao Hu、Tiannan Yang、Hou-Bing Huang 等 8 位作者2016-04-04Applied Physics Letters

Phase-field method micromagnetic microelastic modeling is employed to simulate the thermal domain stability and enhanced magnetostrictive responses around the ferromagnetic morphotropic phase boundary (MPB) in giant magnetostrictive Tb1−xDyxFe2 (x≈0.27) single crystal. The simulation shows that the rhombohedral and te…

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

Tetra-Antimony(III)-Bridged 18-Tungsto-2-Arsenates(V), [(LSbIII)4(A-α-AsVW9O34)2]10– (L = Ph, OH): Turning Bioactivity On and Off by Ligand Substitution

Peng Yang、Zhengguo Lin、Bassem S. Bassil 等 8 位作者2016-04-04Inorganic Chemistry

Two tetra-antimony(III)-bridged, sandwich-type 18-tungsto-2-arsenates(V), [(LSb(III))4(A-α-As(V)W9O34)2](10-) (L = Ph (1), OH (2)), were prepared and fully characterized in the solid state and in solution. Both polyanions are stable in aqueous physiological medium for at least 24 h (at concentrations ≥2.5 × 10(-6) M).…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsVanadium and Halogenation Chemistry