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Use of Bayesian Inference in Crystallographic Structure Refinement via Full Diffraction Profile Analysis

Chris M. Fancher、Zhen Han、Igor Levin 等 8 位作者2016-08-23Scientific Reports

A Bayesian inference method for refining crystallographic structures is presented. The distribution of model parameters is stochastically sampled using Markov chain Monte Carlo. Posterior probability distributions are constructed for all model parameters to properly quantify uncertainty by appropriately modeling the h…

Nuclear Physics and ApplicationsElectron and X-Ray Spectroscopy TechniquesX-ray Diffraction in Crystallography

Building Materials from Colloidal Nanocrystal Arrays: Evolution of Structure, Composition, and Mechanical Properties upon the Removal of Ligands by O2 Plasma

Santosh Shaw、Julien L. Colaux、Jennifer L. Hay 等 5 位作者2016-08-23Advanced Materials

The mechanical properties of colloidal nanocrystal superlattices can be tailored through exposure to low-pressure plasma. The elastic modulus and hardness of the ligand-free 3.7 nm ZrO2 superlattice are found to be similar to bulk yttria-stabilized tetragonal polycrystals of the same relative density but without any d…

Material Dynamics and PropertiesPolymer Surface Interaction StudiesPickering emulsions and particle stabilization

Molecular Dynamics Study on the Photothermal Actuation of a Glassy Photoresponsive Polymer Reinforced with Gold Nanoparticles with Size Effect

Joonmyung Choi、Hayoung Chung、Jung-Hoon Yun 等 4 位作者2016-08-23ACS Applied Materials & Interfaces

We investigated the optical and thermal actuation behavior of densely cross-linked photoresponsive polymer (PRP) and polymer nanocomposites containing gold nanoparticles (PRP/Au) using all-atom molecular dynamics (MD) simulations. The modeled molecular structures contain a large number of photoreactive mesogens with l…

Polymer composites and self-healingPhotochromic and Fluorescence ChemistryAdvanced Materials and Mechanics

UV-mediated thiol-ene click reactions for the synthesis of drug-loadable and degradable gels based on copoly(2-oxazoline)s

Klaus Peter Luef、Charlotte Petit、Bettina Ottersböck 等 8 位作者2016-08-23European Polymer Journal

An 80-membered library of gels composed of monofunctional 2-ethyl-2-oxazoline and 2-nonyl-2-oxazoline and one of four selected difunctional 2-oxazolines (containing either ether or ester bonds) were synthesized by microwave-assisted ring-opening polymerizations. The difunctional 2-oxazolines were prepared from the thi…

biodegradable polymer synthesis and propertiesClick Chemistry and ApplicationsSynthesis and properties of polymers

Reduction Sensitive PEG Hydrogels for Codelivery of Antigen and Adjuvant To Induce Potent CTLs

Chintan H. Kapadia、Shaomin Tian、Jillian L. Perry 等 5 位作者2016-08-23Molecular Pharmaceutics

Educating our immune system via vaccination is an attractive approach to combat infectious diseases. Eliciting antigen specific cytotoxic T cells (CTLs), CD8 + effector T cells, is essential in controlling intracellular infectious diseases such as influenza (Flu), tuberculosis (TB), hepatitis, and HIV/AIDS, as well as…

Nanoparticle-Based Drug DeliveryDendrimers and Hyperbranched PolymersSynthesis and properties of polymers

Semiconducting response in single‐walled carbon nanotubes filled with cadmium chloride

Marianna V. Kharlamova、Christian Kramberger、Thomas Pichler2016-08-23physica status solidi (b)

Abstract Here, we report on filling of single‐walled carbon nanotubes (SWCNTs) with cadmium chloride by a capillary filling method. Changes in the electronic properties of the filled nanotubes were traced by multifrequency Raman spectroscopy using seven excitation laser wavelengths. A detailed analysis of the Raman re…

Carbon Nanotubes in CompositesGraphene research and applicationsSupercapacitor Materials and Fabrication

D6h‐Au42 Isomer: A Golden Aromatic Toroid Involving Superatomic π‐Orbitals that Follow the Hückel (4n+2)π rule

Alvaro Muñoz‐Castro2016-08-23ChemPhysChem

Abstract Recently, it has been shown that the superatom concept is intimately connected to relevant tools of great chemical significance, such as the Lewis structure model and the VSEPR theory, which has been employed to understand hybridized and dimeric‐like molecules. This suggests a potential rational construction…

Metal-Organic Frameworks: Synthesis and ApplicationsMetal complexes synthesis and propertiesNanocluster Synthesis and Applications

Fabrication of Long-Term Underwater Superoleophobic Al Surfaces and Application on Underwater Lossless Manipulation of Non-Polar Organic Liquids

Jinlong Song、Liu Huang、Yao Lu 等 10 位作者2016-08-23Scientific Reports

Underwater superoleophobic surfaces have different applications in fields from oil/water separation to underwater lossless manipulation. This kind of surfaces can be easily transformed from superhydrophilic surfaces in air, which means the stability of superhydrophilicity in air determines the stability of underwater…

Surface Modification and SuperhydrophobicityAdvanced Sensor and Energy Harvesting MaterialsFluid Dynamics and Heat Transfer

Superconductivity and Dirac fermions in 112‐phase pnictides

S. J. Ray、Lambert Alff2016-08-23physica status solidi (b)

Abstract This article reviews the current research on the 112‐phase of pnictides. The 112‐phase has gained augmented attention due to the recent discovery of high‐temperature superconductivity in with a maximum critical temperature upon Sb substitution. The structural, magnetic, and electronic properties of bear some…

Rare-earth and actinide compoundsIron-based superconductors researchSuperconductivity in MgB2 and Alloys

Superamphiphobic, Magnetic, and Elastic Silicone Sponges with Excellent Temperature Stability

Lingxiao Li、Junping Zhang2016-08-23Advanced Materials Interfaces

It is very challenging to create bioinspired superamphiphobic 3D porous materials that resist wetting of organic liquids with low surface tension. Here, preparation of superamphiphobic, magnetic, and elastic (SAME) silicone sponges is reported with excellent temperature stability. The SAME silicone sponges are prepare…

Surface Modification and SuperhydrophobicityAdvanced Sensor and Energy Harvesting MaterialsPickering emulsions and particle stabilization

Competing Interfacial Reconstruction Mechanisms in La 0.7 Sr 0.3 MnO 3 /SrTiO 3 Heterostructures

Zhipeng Li、Dongsheng Song、Rong Yu 等 8 位作者2016-08-23ACS Applied Materials & Interfaces

Interface coupling between complex oxides offers unique possibilities to tailor materials properties and stabilize novel ground states. Understanding the structural reconstruction of the corner-shared octahedral framework and the charge redistribution are crucial for controlling interfacial properties in oxide electro…

Magnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter PhysicsElectronic and Structural Properties of Oxides

Tuning the Structure and Photophysics of a Fluorous Phthalocyanine Platform

Christopher Farley、N. V. S. Dinesh K. Bhupathiraju、Bianca K. John 等 4 位作者2016-08-23The Journal of Physical Chemistry A

Phthalocyanines are an important class of industrial dyes with potential commercial applications ranging from photovoltaics to biomedical imaging and therapeutics. We previously demonstrated the versatility of the commercially available zinc(II) hexadecafluorophthalocyanine (ZnF16Pc) as a platform for rapidly developi…

Porphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer StudiesPhotochromic and Fluorescence Chemistry

An advanced three-dimensional RHEED mapping approach to the diffraction study of Co/MnF2/CaF2/Si(001) epitaxial heterostructures

С.М. Сутурин、Aleksandr E. Korovin、Vladimir Fedorov 等 6 位作者2016-08-23Journal of Applied Crystallography

An advanced three-dimensional mapping approach utilizing reflection high-energy electron diffraction (RHEED) is introduced. The application of the method is demonstrated in detail by resolving the crystal structure and epitaxial relations of individual components within epitaxially grown magnetically ordered Co/MnF 2…

ZnO doping and propertiesElectron and X-Ray Spectroscopy TechniquesX-ray Diffraction in Crystallography

Plasma Polymerization of 3‐Aminopropyltrietoxysilane (APTES) by Open‐Air Atmospheric Arc Plasma Jet for In‐Line Treatments

Sarab Ben Saïd、Farzaneh Arefi‐Khonsari、Jérôme Pulpytel2016-08-23Plasma Processes and Polymers

In this work, an open‐air arc plasma jet has been studied to polymerize 3‐aminopropyelthrietoxysilane (APTES), which is the most commonly used aminosilane to functionalize surfaces with amine groups. Although the discharge produced from air is highly oxidative and the gas temperature is high as compared to other atmos…

Surface Modification and SuperhydrophobicityDiamond and Carbon-based Materials ResearchPlasma Applications and Diagnostics

Synthesis of Vertically Standing MoS2 Triangles on SiC

Feifei Lan、Zhanping Lai、Yongkuan Xu 等 8 位作者2016-08-23Scientific Reports

Layered material MoS2 has been attracting much attention due to its excellent electronical properties and catalytic property. Here we report the synthesis of vertically standing MoS2 triangles on silicon carbon(SiC), through a rapid sulfidation process. Such edge-terminated films are metastable structures of MoS2, whi…

Electrocatalysts for Energy Conversion2D Materials and ApplicationsMXene and MAX Phase Materials

Characterization of Rice Husk-Incorporated Recycled Thermoplastic Blend Composites

Shan Chen、Sahrim Ahmad、Sinyee Gan2016-08-23BioResources

High-fiber-content composites made from rice husk (RH) (from 50 up to 80 wt%) as well as a recycled thermoplastic blend (rTPB) were fabricated using a two-step extrusion and hot/cold press molding technique. The temperature dependency of the thermal degradation and dynamic-mechanical behavior was investigated using th…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesNatural Fiber Reinforced Composites

Nucleophilic Aromatic Substitution on Pentafluorophenyl‐Substituted Dipyrranes and Tetrapyrroles as a Route to Multifunctionalized Chromophores for Potential Application in Photodynamic Therapy

Claudia S. Gutsche、Marlene Ortwerth、Susanna Gräfe 等 8 位作者2016-08-23Chemistry - A European Journal

Abstract The application of porphyrinoids in biomedical fields, such as photodynamic therapy (PDT), requires the introduction of functional groups to tune their solubility for the biological environment and to allow a coupling to other active moieties or carrier systems. A valuable motif in this regard is the pentaflu…

Porphyrin and Phthalocyanine ChemistryPhotodynamic Therapy Research StudiesLuminescence and Fluorescent Materials

Epitaxial growth and electronic structure of oxyhydride SrVO2H thin films

Tsukasa Katayama、Akira Chikamatsu、Keisuke YAMADA 等 9 位作者2016-08-23Journal of Applied Physics

Oxyhydride SrVO2H epitaxial thin films were fabricated on SrTiO3 substrates via topotactic hydridation of oxide SrVO3 films using CaH2. Structural and composition analyses suggested that the SrVO2H film possessed one-dimensionally ordered V-H−-V bonds along the out-of-plane direction. The synthesis temperature could b…

Magnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter PhysicsElectronic and Structural Properties of Oxides

Magnetically Assembled SERS Substrates Composed of Iron–Silver Nanoparticles Obtained by Laser Ablation in Liquid

Stefano Scaramuzza、Denis Badocco、Paolo Pastore 等 6 位作者2016-08-23ChemPhysChem

The widespread application of surface-enhanced Raman scattering (SERS) would benefit from simple and scalable self-assembly procedures for the realization of plasmonic arrays with a high density of electromagnetic hot-spots. To this aim, the exploitation of iron-doped silver nanoparticles (NPs) synthesized by laser ab…

Gold and Silver Nanoparticles Synthesis and ApplicationsNanocluster Synthesis and ApplicationsLaser-Ablation Synthesis of Nanoparticles

Electrospinning Fabrication and Performance Evaluation of Polyacrylonitrile Nanofiber for Air Filter Applications

Nguyen Vinh、Hyung-Man Kim2016-08-23Applied Sciences

Nano materials possess unique mechanical, physical, and chemical properties. They are small, and have an ultrahigh surface area, making them suitable for air filter applications since air filtration is necessary to protect sensitive components from harmful particulates and gaseous contaminants. The electrospinning met…

Advanced Sensor and Energy Harvesting MaterialsElectrospun Nanofibers in Biomedical ApplicationsElectrohydrodynamics and Fluid Dynamics