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Density Functional Theory and Reaction Kinetics Studies of the Water–Gas Shift Reaction on Pt–Re Catalysts

Ronald Carrasquillo‐Flores、Jean Marcel R. Gallo、Konstanze R. Hahn 等 5 位作者2013-11-05ChemCatChem

Abstract Periodic, self‐consistent density functional theory calculations (DFT‐GGA‐PW91) on Pt(1 1 1) and Pt3Re(1 1 1) surfaces, reaction kinetics measurements, and microkinetic modeling are employed to study the mechanism of the water–gas shift (WGS) reaction over Pt and Pt–Re catalysts. The values of the reaction ra…

Electrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceCatalysis and Hydrodesulfurization Studies

Remarkable Regioisomer Control in the Hydrogel Formation from a Two‐Component Mixture of Pyridine‐End Oligo(p‐phenylenevinylene)s and N‐Decanoyl‐ L ‐alanine

Subham Bhattacharjee、Sougata Datta、Santanu Bhattacharya2013-11-05Chemistry - A European Journal

N-Decanoyl-L-alanine (DA) was mixed with either colorless 4,4'-bipyridine (BP) or various derivatives such as chromogenic oligo(p-phenylenevinylene) (OPV) functionalized with isomeric pyridine termini in specific molar ratios. This mixtures form salt-type gels in a water/ethanol (2:1, v/v) mixture. The gelation proper…

Metal-Organic Frameworks: Synthesis and ApplicationsLipid Membrane Structure and BehaviorSupramolecular Self-Assembly in Materials

Fabrication and characterization of TiO 2 –ZrO 2 –ZrTiO 4 nanotubes on TiZr alloy manufactured via anodization

Sepideh Minagar、Christopher C. Berndt、Thomas R. Gengenbach 等 4 位作者2013-11-05Journal of Materials Chemistry B

Titanium and its alloys are able to grow a stable oxide layer on their surfaces and have been used frequently as substrates for anodization in an electrochemical surface treatment. A nanotubular oxide layer is formed in the presence of fluorine anion (F−) via anodization due to the competition between oxide formation…

TiO2 Photocatalysis and Solar CellsBone Tissue Engineering MaterialsAnodic Oxide Films and Nanostructures

Electropolishing behaviour of pure titanium in perchloric acid–methanol–ethylene glycol mixed solution

Naeimeh Sadat Peighambardoust、Farzad Nasirpouri2013-11-05Transactions of the IMF

An electropolishing procedure for pure titanium in a methanol–perchloric acid–ethylene glycol electrolyte and the resulting surface characteristics are described. Based on the potential–current curves, and optical and atomic force microscopy examinations, it is shown that commercially available pure titanium can be el…

Corrosion Behavior and InhibitionSemiconductor materials and devicesAnodic Oxide Films and Nanostructures

Designing the Redox-Driven Switching of Ferro- to Antiferromagnetic Couplings in Organic Diradicals

Md. Ehesan Ali、Volker Staemmler、Francesc Illas 等 4 位作者2013-11-05Journal of Chemical Theory and Computation

Switching of the magnetic exchange coupling from ferro- to antiferromagnetic or vice versa in a single molecule is an appealing but rarely occurring phenomenon in molecular magnetism. Here, we report this for an unprecedented pure organic system, computationally designed by tailoring a conformationally restricted, kno…

Organometallic Complex Synthesis and CatalysisMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Water-soluble hemicelluloses for high humidity applications – enzymatic modification of xyloglucan for mechanical and oxygen barrier properties

Joby J. Kochumalayil、Lars A. Berglund2013-11-05Green Chemistry

Bio-based polymers are of increasing interest in packaging applications as alternatives to petroleum-based polymers. Xyloglucan (XG) derived from tamarind seed waste was recently explored as a high performance biopolymer for packaging applications. Xyloglucan films have high strength, stiffness and oxygen barrier perf…

Advanced Cellulose Research StudiesPolysaccharides and Plant Cell WallsPolysaccharides Composition and Applications

Time-Dependent Susceptibility of the Growth of Gold Nanorods to the Addition of a Cosurfactant

Robert C. Wadams、Laura Fabris、Richard A. Vaia 等 4 位作者2013-11-05Chemistry of Materials

Gold nanorods have attracted more attention than other gold particle morphologies because of their tunable optical response, which is a product of simply changing the rod’s aspect ratio. Advances in bottom-up synthetic methods of gold nanorods have greatly improved yields as well as allowed access to a range of aspect…

Gold and Silver Nanoparticles Synthesis and ApplicationsPickering emulsions and particle stabilizationNanocluster Synthesis and Applications

Conservation of chemically degraded waterlogged wood with sugars

Anthony Kennedy、Edward Ross Pennington2013-11-05Studies in Conservation

The effectiveness of two non-reducing sugars, both analogues of sucrose, to conserve degraded waterlogged wood was examined. The two sugars examined are trehalose and sucralose, both stable and relatively unreactive. The ability of these sugars to conserve a series of degraded tongue depressors was measured by determi…

Advanced Cellulose Research StudiesBotanical Research and ApplicationsBamboo properties and applications

How to Decrease the Viscosity of Suspension with the Second Fluid and Nanoparticles?

Menghan Xu、Haifeng Liu、Hui Zhao 等 4 位作者2013-11-05Scientific Reports

According to recent research reports, addition of small amounts of a secondary fluid to a suspension could dramatically increase viscosity of suspension. Results of this study indicate another interesting behavior that the secondary fluid could form a thin hydrophobic membrane around particle surface and significantly…

Surface Modification and SuperhydrophobicityPolymer Nanocomposites and PropertiesPickering emulsions and particle stabilization

Improved Polymer Encapsulation on Multiwalled Carbon Nanotubes by Selective Plasma Induced Controlled Polymer Grafting

Sunanda Roy、Tanya Das、C. Y. Yue 等 4 位作者2013-11-05ACS Applied Materials & Interfaces

Surface graft polymerization on multiwalled carbon nanotubes (MWCNTs) with several grafting mechanisms is nowadays a demanding field of nanocomposites in order to enhance the load carrying capacity, thus improving the overall performance of the composites. Here, we demonstrate the covalent grafting of a sulfonic acid…

Carbon Nanotubes in CompositesGraphene research and applicationsDiamond and Carbon-based Materials Research

Crystal and local structure refinement in Ca 2 Al 3 O 6 F explored by X-ray diffraction and Raman spectroscopy

Zhiguo Xia、Мaxim S. Моlokeev、Aleksandr S. Oreshonkov 等 6 位作者2013-11-05Physical Chemistry Chemical Physics

We present a combined structural analysis on the powder of the Ca2Al3O6F phase using X-ray diffraction (XRD) and Raman spectroscopy techniques. The crystal structure of Ca2Al3O6F has been refined in the rhombohedral system, R3[combining macron] space group, a = 17.3237(7) Å, c = 7.00017(4) Å, V = 1819.38(2) Å(3), Z =…

Luminescence Properties of Advanced MaterialsNuclear materials and radiation effectsX-ray Diffraction in Crystallography

Cascading One-Pot Synthesis of Single-Tailed and Asymmetric Multitailed Giant Surfactants

Yiwen Li、Zhao Wang、Jukuan Zheng 等 11 位作者2013-11-05ACS Macro Letters

Rapid and precise synthesis of macromolecules has been a grand challenge in polymer chemistry. In this letter, we describe a convenient, rapid, and robust strategy for a one-pot synthesis of various precisely defined giant surfactants based on polyhedral oligomeric silsesquioxane (POSS). The method combines orthogonal…

Advanced Polymer Synthesis and CharacterizationLuminescence and Fluorescent MaterialsSilicone and Siloxane Chemistry

Early Damage Mechanisms in Nuclear Grade Graphite under Irradiation

Jacob Eapen、Ram Krishna、T.D. Burchell 等 4 位作者2013-11-05Materials Research Letters

Using Raman and X-ray photoelectron spectroscopy, we delineate the bond and defect structures in nuclear block graphite (NBG-18) under neutron and ion irradiation. The strengthening of the defect (D) peak in the Raman spectra under irradiation is attributed to an increase in the topological, sp2-hybridized defects. Us…

Advancements in Battery MaterialsGraphene research and applicationsGraphite, nuclear technology, radiation studies

First-principles prediction of magnetic superatoms in 4d-transition-metal-doped magnesium clusters

Guixian Ge、Yan Han、Jianguo Wan 等 5 位作者2013-11-05The Journal of Chemical Physics

We theoretically predict magnetic superatoms in the 4d-transition-metal-doped Mg8 clusters using a spin-polarized density functional theory method. We demonstrate that TcMg8 is highly energetically stable in both structure and magnetic states, and identify it as a magnetic superatom with a magnetic moment as large as…

Iron-based superconductors researchNanocluster Synthesis and ApplicationsInorganic Chemistry and Materials

Functional Molecular Gels

作者信息未提供2013-11-05Royal Society of Chemistry eBooks

There is much recent interest in the field of molecular gels because of their potential use in many different applications, including biomedicine and electronic materials. Functional Molecular Gels details the latest research on molecular gels from the fundamentals of molecular gel formation to their uses in a variety…

Supramolecular Self-Assembly in Materials

Nitrogen Doping Mechanism in Small Diameter Single-Walled Carbon Nanotubes: Impact on Electronic Properties and Growth Selectivity

Hamid Reza Barzegar、Eduardo Gracia‐Espino、Tiva Sharifi 等 5 位作者2013-11-05The Journal of Physical Chemistry C

Nitrogen doping in carbon nanostructures has attracted interest for more than a decade, and recent implementation of such structures in energy conversion systems has boosted the interest even more. Despite numerous studies, the structural conformation and stability of nitrogen functionalities in small diameter single-…

Advancements in Battery MaterialsCarbon Nanotubes in CompositesGraphene research and applications

Ca2+ Ion Responsive Pickering Emulsions Stabilized by PSSMA Nanoaggregates

Chunhua Zhao、Junjun Tan、Wei Li 等 6 位作者2013-11-05Langmuir

A novel Ca(2+) ion responsive particulate emulsifier, which is based on copolymer nanoaggregates, is reported in this work. Results from dynamic light scattering (DLS) and cryo-transmission electron microscopy (cryo-TEM) indicate that the formation of poly (4-styrenesulfonic acid-co-maleic acid) sodium salt (PSSMA) na…

Proteins in Food SystemsSurfactants and Colloidal SystemsPickering emulsions and particle stabilization

Highly flexible, transparent and self-cleanable superhydrophobic films prepared by a facile and scalable nanopyramid formation technique

Jeong-Ho Kong、Tae‐Hyun Kim、Ji Hoon Kim 等 9 位作者2013-11-05Nanoscale

A facile and scalable technique to fabricate optically transparent, mechanically flexible and self-cleanable superhydrophobic films for practical solar cell applications is proposed. The superhydrophobic films were fabricated simply by transferring a transparent porous alumina layer, which was prepared using an anodic…

Surface Modification and SuperhydrophobicityAdvanced Sensor and Energy Harvesting MaterialsIcing and De-icing Technologies

Differential Toxicity of Rod and Spherical Zinc Oxide Nanoparticles on Human Peripheral Blood Mononuclear Cells

Debalina Bhattacharya、Chitta Ranjan Santra、Amar N. Ghosh 等 4 位作者2013-11-05Journal of Biomedical Nanotechnology

The cytotoxic and genotoxic potential of rod and spherical zinc oxide nanoparticles (ZnO NPs) were evaluated on human peripheral blood mononuclear cells (PBMCs). Their sizes and shapes were determined by Transmission electron microscopy (TEM) and physical characterizations were done by X-ray diffraction (XRD) and Dyna…

Nanoparticles: synthesis and applications