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Fluctuations and local ice structure in model supercooled water

S. D. Overduin、G. N. Patey2015-09-02The Journal of Chemical Physics

Large-scale simulations (up to 32,000 molecules) are used to analyze local structures and fluctuations for the TIP4P/2005 and TIP5P water models, under deeply supercooled conditions, near previously proposed liquid-liquid critical points. Bulk freezing does not occur in our simulations, but correlations between molecu…

Material Dynamics and PropertiesTheoretical and Computational Physicsnanoparticles nucleation surface interactions

Two Mechanisms of Fluorescence Intermittency in Single Core/Shell Quantum Dot

I. S. Osad’ko、Ivan Yu. Eremchev、А. В. Наумов2015-09-02The Journal of Physical Chemistry C

The temporal evolution of fluorescence intensity of a single blinking CdSe/ZnS nanocrystal (quantum dot, QD) has been measured with continuous wave (CW) laser excitation at room temperature. Tracks exhibit ON-/OFF-fluctuations with large amplitude and intensity fluctuations with small amplitude in the ON-interval. The…

Semiconductor Quantum Structures and DevicesQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Enhancing Photoluminescence Performance of SrSi2O2N2:Eu2+ Phosphors by Re (Re = La, Gd, Y, Dy, Lu, Sc) Substitution and Its Thermal Quenching Behavior Investigation

Wei Lü、Mengmeng Jiao、Baiqi Shao 等 5 位作者2015-09-02Inorganic Chemistry

Eu(2+)-doped SrSi2O2N2 has recently been identified as a viable green phosphor that in conjunction with a blue-emitting diode can be used in solid-state white-lighting sources. In this study, we attempt to improve the photoluminescence and thermal quenching behavior by codoping Re(3+) (Re = La, Gd, Y, Dy, Lu, Sc) and…

Luminescence Properties of Advanced MaterialsPerovskite Materials and ApplicationsRadiation Detection and Scintillator Technologies

Efficient Metal-Free Catalytic Reaction Pathway for Selective Oxidation of Substituted Phenols

Yangming Lin、Bo Li、Zhenbao Feng 等 6 位作者2015-09-02ACS Catalysis

Selective oxidation of substituted phenols to p -benzoquinones is known to be inefficient because of the competing C–O coupling reaction caused by phenoxy radicals. The poor stability of conventional metal-based catalysts represents another bottleneck for industrial application. Here, we describe a metal-free reaction…

Catalytic Processes in Materials ScienceMesoporous Materials and CatalysisPolyoxometalates: Synthesis and Applications

Transmission Electron Microscopy for the Characterization of Cellulose Nanocrystals

Madhu Kaushik、Carole Fraschini、Grégory Chauve 等 5 位作者2015-09-02InTech eBooks

Cellulose nanocrystals (CNCs) are high aspect ratio nanomaterials readily obtained from cellulose microfibrils via strong acid hydrolysis. They feature unique properties stemming from their surface chemistry, their crystallinity, and their three-dimensional structure. CNCs have been exploited in a number of applicatio…

Advanced Cellulose Research StudiesAdvanced Electron Microscopy Techniques and ApplicationsPolysaccharides and Plant Cell Walls

Functionalization of Defect Sites in Graphene with RuO2 for High Capacitive Performance

Fan Yang、Lianbing Zhang、Ana Zuzuarregui 等 11 位作者2015-09-02ACS Applied Materials & Interfaces

Graphene is an attractive material for its physicochemical properties, but for many applications only chemically synthesized forms such as graphene oxide (GO) and reduced graphene oxide (rGO) can be produced in sufficient amounts. If considered as electrode material, the intrinsic defects of GO or rGO may have negativ…

Advancements in Battery MaterialsGraphene research and applicationsSupercapacitor Materials and Fabrication

Phototoxic Activity and DNA Interactions of Water‐Soluble Porphyrins and Their Rhenium(I) Conjugates

Giuliana Mion、Teresa Gianferrara、Alberta Bergamo 等 9 位作者2015-09-02ChemMedChem

In the search for alternative photosensitizers for use in photodynamic therapy (PDT), herein we describe two new water-soluble porphyrins, a neutral fourfold-symmetric compound and a +3-charged tris-methylpyridinium derivative, in which either four or one [1,4,7]-triazacyclononane (TACN) units are connected to the por…

Advanced biosensing and bioanalysis techniquesPorphyrin and Phthalocyanine ChemistryPhotodynamic Therapy Research Studies

Effect of Seed Age on Gold Nanorod Formation: A Microfluidic, Real-Time Investigation

John Watt、Bradley G. Hance、Rachel S. Anderson 等 4 位作者2015-09-02Chemistry of Materials

Abstract We report a real time investigation into the effect of seed age on the growth of gold nanorods using a microfluidic reaction apparatus. Through small-angle X-ray scattering (SAXS) and ultraviolet?visible spectroscopy (UV?vis) analysis, we observe the seeds aging in accordance with Ostwald ripening. A seed sol…

Nanoparticles: synthesis and applicationsGold and Silver Nanoparticles Synthesis and ApplicationsNanocluster Synthesis and Applications

Exploration of CO2-Philicity of Poly(vinyl acetate-co-alkyl vinyl ether) through Molecular Modeling and Dissolution Behavior Measurement

Dongdong Hu、Shaojun Sun、Pei‐Qing Yuan 等 5 位作者2015-09-02The Journal of Physical Chemistry B

Hydrocarbon CO2-philes are of great interest for use in expanding CO2 applications as a green solvent. In this work, multiscale molecular modeling and dissolution behavior measurement were both applied to explore CO2-philicity of the poly(vinyl acetate) (PVAc)-based copolymer. Introduction of a favorable comonomer, i.…

biodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysisPolymer Foaming and Composites

Planar Porous Graphene Woven Fabric/Epoxy Composites with Exceptional Electrical, Mechanical Properties, and Fracture Toughness

Xu Liu、Xinying Sun、Zhenyu Wang 等 6 位作者2015-09-02ACS Applied Materials & Interfaces

Planar interconnected graphene woven fabrics (GWFs) are prepared by template-based chemical vapor deposition and the GWFs are employed as multifunctional filler for epoxy-based composites. Apart from flexibility, transparency, lightweight, and high electrical conductivity, the GWFs have unique morphological features c…

Carbon Nanotubes in CompositesGraphene research and applicationsThermal properties of materials

Effects of Nano-CeO2 with Different Nanocrystal Morphologies on Cytotoxicity in HepG2 Cells

Lili Wang、Wenchao Ai、Yanwu Zhai 等 6 位作者2015-09-02International Journal of Environmental Research and Public Health

Cerium oxide nanoparticles (nano-CeO₂) have been reported to cause damage and apoptosis in human primary hepatocytes. Here, we compared the toxicity of three types of nano-CeO₂ with different nanocrystal morphologies (cube-, octahedron-, and rod-like crystals) in human hepatocellular carcinoma cells (HepG2). The cells…

Nanoparticles: synthesis and applicationsAdvanced Nanomaterials in CatalysisGraphene and Nanomaterials Applications

Fabrication of cellulose triacetate/graphene oxide porous membrane

Mariana Ioniţă、Livia Elena Crică、Ștefan Ioan Voicu 等 5 位作者2015-09-02Polymers for Advanced Technologies

Cellulose triacetate (AC)/graphene oxide (GO) porous membranes were successfully fabricated by combining ultrasonication and phase inversion method. The structures and morphologies of the resultant composite membranes were investigated by X-ray diffraction (XRD), scanning electron microscopy, and transmission electron…

Graphene research and applicationsMembrane Separation TechnologiesAdvanced Cellulose Research Studies

The Improvement in Mechanical and Barrier Properties of Poly(Vinyl Alcohol)/Graphene Oxide Packaging Films

Vorrada Loryuenyong、Charinrat Saewong、Chaiyud Aranchaiya 等 4 位作者2015-09-02Packaging Technology and Science

In this study, poly(vinyl alcohol) (PVA)‐graphite oxide and PVA‐graphene oxide (XGO) films were prepared by simple and environmentally friendly method. Fourier transform infrared spectroscopy, X‐ray diffraction and scanning electron microscope revealed the strong hydrogen‐bonding interactions between XGO and PVA matri…

biodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical ApplicationsPolymer Nanocomposite Synthesis and Irradiation

Simultaneous Drug and Gene Delivery from the Biodegradable Poly(ε-caprolactone) Nanofibers for the Treatment of Liver Cancer

Huilian Che、Hwa Jeong Lee、Koichiro Uto 等 7 位作者2015-09-02Journal of Nanoscience and Nanotechnology

In this study, we present anti-cancer drug containing nanofiber-mediated gene delivery to treat liver cancer. Electro-spun nanofibers have big potential for local delivery and sustained release of therapeutic gene and drugs. We reported a temperature-responsive nanofibers mainly compounded by branched poly(ε-caprolact…

RNA Interference and Gene DeliveryElectrospun Nanofibers in Biomedical ApplicationsPancreatic function and diabetes

Designing Bimetallic Co-Catalysts: A Party of Two

Eran Aronovitch、Philip Kalisman、Shai Mangel 等 6 位作者2015-09-02The Journal of Physical Chemistry Letters

The enhanced catalytic properties of bimetallic particles has made them the focus of extensive research. We compare the photocatalytic activity for hydrogen production of core-shell structures of Au@Pd and Au@(Au/Pd alloy) on seeded rods of CdSe@CdS and show that Au@alloy was superior toward hydrogen production. Our f…

Electrocatalysts for Energy ConversionAdvanced Photocatalysis TechniquesCatalytic Processes in Materials Science

Fabrication of Polyurethane and Nylon 66 Hybrid Electrospun Nanofiber Layer for Waterproof Clothing Applications

Golchehr Amini、Samira Samiee、Ali Akbar Gharehaghaji 等 4 位作者2015-09-02Advances in Polymer Technology

ABSTRACT Waterproof textiles have wide applications in many fields such as sportswear, protective clothing, and orthopedic dressing. Breathability is an important factor of clothing comfort. Nanofibrous layers have application in these fields due to their interconnected porous area and high surface area. In this work,…

Surface Modification and SuperhydrophobicityAdvanced Sensor and Energy Harvesting MaterialsElectrospun Nanofibers in Biomedical Applications

Europium Luminescence: Electronic Densities and Superdelocalizabilities for a Unique Adjustment of Theoretical Intensity Parameters

José Diogo L. Dutra、Nathalia Bezerra de Lima、Ricardo O. Freire 等 4 位作者2015-09-02Scientific Reports

We advance the concept that the charge factors of the simple overlap model and the polarizabilities of Judd-Ofelt theory for the luminescence of europium complexes can be effectively and uniquely modeled by perturbation theory on the semiempirical electronic wave function of the complex. With only three adjustable con…

Luminescence Properties of Advanced MaterialsMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Toward Continuous Crystallization of Urea-Barbituric Acid: A Polymorphic Co-Crystal System

Keddon A. Powell、Giulia Bartolini、K. E. Wittering 等 7 位作者2015-09-02Crystal Growth & Design

Pharmaceutical co-crystals are multicomponent molecular systems typically formed through hydrogen bonding of a co-former molecule with the active pharmaceutical ingredient (API). Just as many single component molecular structures can exhibit polymorphism due to the geometry of hydrogen bond donors and acceptors, the s…

Crystallography and molecular interactionsAnalytical Chemistry and ChromatographyCrystallization and Solubility Studies

Highly Efficient and Stable Luminescence from Microbeans Integrated with Cd‐Free Quantum Dots for White‐Light‐Emitting Diodes

Wei Chen、Kai Wang、Junjie Hao 等 8 位作者2015-09-02Particle & Particle Systems Characterization

A high luminous efficiency of quantum dots (QDs) can be attained when incorporating them into mesoporous silica particles by a non-chemical method. The obtained luminescent microbeads can be dispersed into a polymer by physical blending. Composite films demonstrate a high light-conversion efficiency, as well as an exc…

Quantum Dots Synthesis And PropertiesCarbon and Quantum Dots ApplicationsNanocluster Synthesis and Applications

Diameter dependence of the thermal conductivity of InAs nanowires

Milo Yaro Swinkels、M. R. van Delft、Douglas Soares de Oliveira 等 7 位作者2015-09-02Nanotechnology

The diameter dependence of the thermal conductivity of InAs nanowires in the range of 40-1500 nm has been measured. We demonstrate a reduction in thermal conductivity of 80% for 40 nm nanowires, opening the way for further design strategies for nanoscaled thermoelectric materials. Furthermore, we investigate the effec…

Advanced Thermoelectric Materials and DevicesNanowire Synthesis and ApplicationsThermal properties of materials