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Dissipative particle dynamics simulation study of poly(2-oxazoline)-based multicompartment micelle nanoreactor

Byeong Jae Chun、Christina Clare Fisher、Seung Soon Jang2016-01-01Physical Chemistry Chemical Physics

We investigate multicompartment micelles consisting of poly(2-oxazoline)-based triblock copolymers for nanoreactor applications, using the DPD simulation method to characterize the internal structure of the micelles and the distribution of reactant. The DPD simulation parameters are determined from the Flory-Huggins i…

Advanced Polymer Synthesis and CharacterizationSurfactants and Colloidal SystemsBlock Copolymer Self-Assembly

Optical properties and electronic structure of alloys Co2Cr1–x Fe x Al (x = 0, 0.4, 0.6, 1.0)

E. I. Shreder、A. V. Lukoyanov、В. В. Марченков2016-01-01Physics of the Solid State

The results of the investigation of the optical properties and calculations of the density of states N(E) of the Heusler alloys Co2Cr1–x Fe x Al (x = 0, 0.4, 0.6, 1.0) have been presented. It has been found that the band spectrum substantially changes, especially in the vicinity of the Fermi level, due to the concentr…

Intermetallics and Advanced Alloy PropertiesMXene and MAX Phase MaterialsHeusler alloys: electronic and magnetic properties

Dehydrogenation of methanol to formaldehyde catalyzed by pristine and defective ceria surfaces

Ariana Beste、Steven H. Overbury2016-01-01Physical Chemistry Chemical Physics

We have explored the dehydrogenation of methoxy on pristine and defective (111), (100), and (110) ceria surfaces with density functional methods. Methanol conversion is used as a probe reaction to understand structure sensitivity of the oxide catalysis. Differences in reaction selectivity have been observed experiment…

Catalytic Processes in Materials ScienceCO2 Reduction Techniques and CatalystsCatalysis and Oxidation Reactions

Towards the Determination of the Origin of Sulfur Compounds in Marine Zones by Means of the Chloride/Sulfate Ratio: Applications in Atmospheric Corrosion Studies

M. Echeverría、C.M. Abreu、A. González 等 5 位作者2016-01-01Journal of The Electrochemical Society

Towards the Determination of the Origin of Sulfur Compounds in Marine Zones by Means of the Chloride/Sulfate Ratio: Applications in Atmospheric Corrosion Studies, Echeverría, M., Abreu, C. M., González, A., Ortega, A., Echeverría, C. A.

Corrosion Behavior and InhibitionOdor and Emission Control TechnologiesSmart Materials for Construction

Programmed assembly of oppositely charged homogeneously decorated and Janus particles

Alina Kirillova、Georgi Stoychev、Alla Synytska2016-01-01Faraday Discussions

The exploitation of colloidal building blocks with morphological and functional anisotropy facilitates the generation of complex structures with unique properties, which are not exhibited by isotropic particle assemblies. Herein, we demonstrate an easy and scalable bottom-up approach for the programmed assembly of hai…

Proteins in Food SystemsMicro and Nano RoboticsPickering emulsions and particle stabilization

Flexible transition metal dichalcogenide field-effect transistors: A circuit-level simulation study of delay and power under bending, process variation, and scaling

Yingyu Chen、Morteza Gholipour、Deming Chen2016-01-01OpenAlex

In this paper, a new and efficient SPICE model of flexible transition metal dichalcogenide field-effect transistors (TMDFETs) is developed for different types of materials, considering effects when scaling the transistor size down to the 16-nm technology node. Extensive circuit-level simulations are performed using th…

2D Materials and ApplicationsAdvanced Memory and Neural ComputingFerroelectric and Negative Capacitance Devices

Tri- and tetranuclear Ru II –GdIII2 and Ru II –GdIII3 d–f heterometallic complexes as potential bimodal imaging probes for MRI and optical imaging

A. Nithyakumar、V. Alexander2016-01-01New Journal of Chemistry

Tri- and tetranuclear Ru <sup>II</sup> –GdII2 and Ru <sup>II</sup> –GdIII3 d–f heterometallic complexes, which function as contrast agents for MRI and as optical probes for fluorescence imaging, are reported. <italic>In vitro</italic> studies using the HeLa cell lines show that these complexes exhibit anticancer activ…

Metal complexes synthesis and propertiesMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Investigations of ion transport through nanoscale polymer membranes by fluorescence quenching of CdSe/CdS quantum dot/quantum rods

Jan‐Philip Merkl、Christopher Wolter、Sandra Flessau 等 8 位作者2016-01-01Nanoscale

Detailed steady-state and time-resolved fluorescence quenching measurements give deep insight into ion transport through nanometer thick diblock copolymer membranes, which were assembled as biocompatible shell material around CdSe/CdS quantum dot in quantum rods. We discuss the role of polymer chain length, intermolec…

Organic Electronics and PhotovoltaicsAdvanced biosensing and bioanalysis techniquesConducting polymers and applications

Aging Effect of Mg-Sc Alloy with &alpha;+&beta; Two-Phase Microstructure

Yukiko Ogawa、Daisuke Ando、Yuji Sutou 等 4 位作者2016-01-01Journal of the Japan Institute of Metals and Materials

Mg-20.5 at% Sc alloy with hcp (α)+bcc (β) two-phase alloy was investigated to understand the effects of aging treatment at 200℃ on microstructure, hardness and tensile properties. The Mg-Sc alloy ingot was prepared by induction melting in Ar atmosphere, and then hot rolled at 600℃ followed by cold rolling into a sheet…

Metal and Thin Film MechanicsMagnesium Alloys: Properties and ApplicationsAdvanced Welding Techniques Analysis

Formation of Nanocrystallized Structure in Worn Surface Layer of T10 Steel against 20CrMnTi Steel during Dry Rubbing

Xin Wang、Xicheng Wei、Jing Zhang 等 6 位作者2016-01-01Journal of Nanomaterials

T10 steel slid against 20CrMnTi steel on a pin-on-disc wear test rig. Optical Microscope (OM), scanning electron microscope (SEM), and High Resolution Transmission Electron Microscope (HRTEM) methods were used to analyze the microstructures in the worn surface layers. The microstructures in the worn surface layers of…

Metal and Thin Film MechanicsMechanical stress and fatigue analysisMetal Alloys Wear and Properties

Hydrogen generation enhanced by nano-forest structures

Keumyoung Seo、Taekyung Lim、Edmund M. Mills 等 5 位作者2016-01-01RSC Advances

A hierarchical structure of one-dimensional CeO <sub>2</sub> /SnO <sub>2</sub> core–shell nanowires on a three-dimensional porous disk (namely the “nanowire forest”) could maximize the reaction surface area and avoid coarsening during hydrogen generation.

Advanced Photocatalysis TechniquesCatalytic Processes in Materials ScienceChemical Looping and Thermochemical Processes

In SituDetection of Trace Furfural in Aqueous Solution Based on Au Nanoparticle/Au Film Surface-Enhanced Raman Spectroscopy

Wei Qi、Weigen Chen、Fu Wan 等 5 位作者2016-01-01Journal of Nanomaterials

Furfural is an important chemical solvent and intermediate. Sensitive detection of this compound has attracted great interest in various fields. Surface-enhanced Raman spectroscopy (SERS) is a highly sensitive method for material detection because of its optical enhancement effect of plasmonic nanostructures. This stu…

Gold and Silver Nanoparticles Synthesis and ApplicationsSpectroscopy Techniques in Biomedical and Chemical ResearchProtein Interaction Studies and Fluorescence Analysis

A stable open-shell redox active ditopic ligand

Nico M. Bonanno、Alan J. Lough、Kathleen E. Prosser 等 6 位作者2016-01-01Dalton Transactions

Herein we describe the synthesis, structure and electronic properties of an unusual redox-active ditopic ligand with a stable open-shell configuration. This stable phenoxyl radical features intense and very low energy electronic transitions in the near infrared (NIR) part of the spectrum and is structurally set up to…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryLanthanide and Transition Metal Complexes

Synthesis and Characterization of BNT Thin Films Prepared by Sol-gel Method1

Sara Abou Dargham、Freddy Ponchel、Y. Zaatar 等 6 位作者2016-01-01Materials Today Proceedings

Polycrystalline piezoelectric lead-free Bi0.5Na0.5TiO3 (abbreviated as BNT) thin films were deposited on Pt/TiO2/SiO2/Si substrates by an optimized Sol-Gel process. The phase structure and morphology of the as-prepared product were examined by X-ray diffraction (XRD), Raman spectroscopy and scanning electron microscop…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesMicrowave Dielectric Ceramics Synthesis

Reversible transformation of self-assemblies and fluorescence by protonation–deprotonation in pyrimidinylene–phenylene macrocycles

Duoduo Xiao、Siqi Zhang、Dengqing Zhang 等 9 位作者2016-01-01Chemical Communications

We describe herein that the self-assembled nanoobjects based on pyrimidinylene-phenylene macrocycles, 1 and 2, which possess the capability to respond to acid-stimuli by proton binding, can undergo reversible transformation of self-assemblies and fluorescence switching by protonation-deprotonation.

Porphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent MaterialsSupramolecular Self-Assembly in Materials

Microphase separation of short wormlike diblock copolymers with a finite interaction range

Ying Jiang、Xinghua Zhang、Bing Miao 等 5 位作者2016-01-01Soft Matter

We investigate several structural properties of low-molecular weight AB diblock copolymer melts, focusing on a number of features that substantially deviate from those of high-molecular weight copolymer melts. The study is based on the wormlike chain formalism aided by random phase approximation and self-consistent fi…

Theoretical and Computational PhysicsSurfactants and Colloidal SystemsBlock Copolymer Self-Assembly

Recent advances in meso-alkylidenyl carbaporphyrinoids

Kamaljit Singh、Abeje Abebayehu、Endale Mulugeta 等 5 位作者2016-01-01Journal of Porphyrins and Phthalocyanines

Porphyrins and their structural analogs have drawn continuous attention owing to their physico-chemical properties associated with biological, medical and material chemistry. Consequently, many structural modifications of the porphyrin skeleton have been reported as a fundamental tool for tuning the physico-chemical p…

Porphyrin and Phthalocyanine ChemistryPhotodynamic Therapy Research StudiesPorphyrin Metabolism and Disorders