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Density Functional Theory Investigations on the Structure and Electronic Properties of Normal Spinel ZnFe 2 O 4

Jinhuan Yao、Xuanhai Li、Yanwei Li 等 4 位作者2013-01-01Integrated ferroelectrics

The structure and electronic properties of normal spinel ZnFe2O4 have been investigated using density functional theory (DFT) within the generalized-gradient approximation (GGA) and the local density approximation (LDA). The calculation results show that GGA/RPBE with ultrasoft pseudopotential method is a good method…

Multiferroics and related materialsMagnetic Properties and Synthesis of FerritesAdvanced Condensed Matter Physics

Immobilization of triazabicyclodecene in surfactant modified Mg/Al layered double hydroxides

Mohammad Rafiqul Islam、Zhanhu Guo、D. S. Rutman 等 4 位作者2013-01-01RSC Advances

In recent years, layered double hydroxides (LDHs) have received much interest as host materials for the construction of organic–inorganic supramolecular structures by an anion exchange method. This study demonstrates the preparation of a series of solid base catalysts through attachment of triazabicyclodecene (TBD) to…

Supercapacitor Materials and FabricationMesoporous Materials and CatalysisLayered Double Hydroxides Synthesis and Applications

Stability of jammed packings I: the rigidity length scale

Carl P. Goodrich、Wouter G. Ellenbroek、Andrea J. Liu2013-01-01Soft Matter

In 2005, Wyart et al. [Europhys. Lett., 2005, 72, 486] showed that the low frequency vibrational properties of jammed amorphous sphere packings can be understood in terms of a length scale, called *, that diverges as the system becomes marginally unstable. Despite the tremendous success of this theory, it has been dif…

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesQuantum Electrodynamics and Casimir Effect

The role of iron oxide in the highly effective Fe-modified Co3O4 catalyst for low-temperature CO oxidation

Jie Li、Guanzhong Lu、Guisheng Wu 等 7 位作者2013-01-01RSC Advances

A series of iron modified cobalt oxide catalysts (FeaCobOx (b : a = MCo : MFe, 10 < x < 15)) were prepared by a co-precipitation method, characterized by nitrogen adsorption–desorption, XRD, Raman spectroscopy, XPS, H2-temperature programmed reduction, CO-temperature-programmed desorption, O2-temperature-programmed de…

Catalytic Processes in Materials ScienceCatalysts for Methane ReformingCatalysis and Oxidation Reactions

Direct two-phase interfacial self-assembly of aligned silver nanowire films for surface enhanced Raman scattering applications

Changfeng Chen、Jumin Hao、Leyun Zhu 等 7 位作者2013-01-01Journal of Materials Chemistry A

Assembly of nanowires into ordered macroscopic structures has attracted great scientific interest in the past decade. In this work, we report on a rapid low-cost scalable oil–water (two-phase) interfacial self-assembly process for fabricating aligned Ag nanowire (AgNW) films on solid substrates. This process is much s…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesBiosensors and Analytical Detection

Ca(BH4)2–LiBH4–MgH2: a novel ternary hydrogen storage system with superior long-term cycling performance

Mingxia Gao、Jian Gu、Hongge Pan 等 7 位作者2013-01-01Journal of Materials Chemistry A

A ternary hydrogen storage system, of superior cyclic stability and high capacity, was developed from a mixture of Ca(BH4)2, LiBH4 and MgH2 in molar ratios of 1 : 2 : 2. Investigation on both non-isothermal and isothermal hydrogen desorption/absorption properties shows that the hydrogen desorption starts from 320 °C a…

Hydrogen Storage and MaterialsHybrid Renewable Energy SystemsAmmonia Synthesis and Nitrogen Reduction

Flower shaped assembly of cobalt ferrite nanoparticles: application as T2 contrast agent in MRI

M Nidhin、Shaiju S. Nazeer、Ramapurath S. Jayasree 等 6 位作者2013-01-01RSC Advances

Material research has moved from generalization to specificity. Progress of nanoscience from synthesis to application oriented tailored synthesis has generated keen interest in the subject. The electrical and magnetic properties of spinel ferrites is one area of nanoscience that is slowing progress towards application…

Nanoparticle-Based Drug DeliveryMagnetic Properties and Synthesis of FerritesIron oxide chemistry and applications

Catalytic Y-tailed amphiphilic homopolymers – aqueous nanoreactors for high activity, low loading SCS pincer catalysts

Joseph P. Patterson、Pepa Cotanda、Elizabeth G. Kelley 等 7 位作者2013-01-01Polymer Chemistry

A new amphiphilic homopolymer bearing an SCS pincer palladium complex has been synthesized by reversible addition fragmentation chain transfer polymerization. The amphiphile has been shown to form spherical and worm-like micelles in water by cryogenic transmission electron microscopy and small angle neutron scattering…

Catalytic Cross-Coupling ReactionsPolyoxometalates: Synthesis and ApplicationsSynthetic Organic Chemistry Methods

Bimetallic molybdenum tungsten oxynitride: structure and electrochemical properties

Olga Kartachova、Alexey M. Glushenkov、Yanhui Chen 等 5 位作者2013-01-01Journal of Materials Chemistry A

Mesoporous molybdenum tungsten oxynitride was synthesised by the temperature-programmed reduction of the bimetallic oxide precursor in ammonia and its electrochemical properties were investigated in 1 M H2SO4 aqueous electrolyte. The reaction product is a single-phase material, in which molybdenum and tungsten are dis…

Electrocatalysts for Energy ConversionSupercapacitor Materials and FabricationMXene and MAX Phase Materials

SYNTHESIS AND CHARACTERIZATION OF Al DOPED ZnO NANOPARTICLES

Wasi Khan、Ziya Ahmad Khan、Abdullah A. Saad 等 6 位作者2013-01-01International Journal of Modern Physics Conference Series

Undoped and Al-doped ZnO (AZO) nanoparticles (NPs) have been successfully synthesized by the simple sol-gel method. The NPs have been characterized by a number of techniques as x-ray diffraction (XRD), UV-visible spectroscopy and scanning electron microscopy (SEM) at room temperature for 0%, 0.5%, 1% and 2% of Al conc…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsCopper-based nanomaterials and applications

The kinetic friction coefficient of neutral and charged polymer brushes

Florent Goujon、Aziz Ghoufi、Patrice Malfreyt 等 4 位作者2013-01-01Soft Matter

The compression-dependence of the friction coefficients of neutral and charged polymer brushes at the same surface coverage is studied using dissipative particle dynamics (DPD) at two different shear rates. The chemical potential of the solvent particles is kept constant along the compression curve in order to mimic t…

Surfactants and Colloidal SystemsPolymer Surface Interaction StudiesElectrostatics and Colloid Interactions

The first “Kuhn verdazyl” ligand and comparative studies of its PdCl2 complex with analogous 6-oxoverdazyl ligands

Cooper W. Johnston、Stephen D. J. McKinnon、Brian O. Patrick 等 4 位作者2013-01-01Dalton Transactions

The synthesis and characterization of two new N,N'-diarylverdazyl radical ligands and their corresponding PdCl2 complexes are described. One of the two radicals is of the "Kuhn verdazyl" structure type and was made by adaptation of standard synthetic procedures for this class of verdazyl. The N,N'-diphenyl-6-oxoverdaz…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesMetal-Catalyzed Oxygenation Mechanisms

Synthesis of Colloidal ZnO Nanoparticles and Deposit of Thin Films by Spin Coating Technique

José Alberto Alvarado、A. Maldonado、H. Juárez 等 4 位作者2013-01-01Journal of Nanomaterials

ZnO colloidal nanoparticles were synthesized, the average size of these nanoparticles is around 25 nm with hexagonal form. It was noted that stabilization depends directly on the purifying process; in this work we do not change the nature of the solution as a difference from Meulekamp′s method, and we do not use any a…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsCopper-based nanomaterials and applications

Performance and NOx Emissions of Refinery Fired Heaters Retrofitted to Hydrogen Combustion

Mario Ditaranto、Rahul Anantharaman、Torleif Weydahl2013-01-01Energy Procedia

Pre-combustion CO2 Capture applied to industrial sources is an alternative for achieving low CO2 emissions at a moderate cost. The potential of the technology to be used as retrofit would further expand its possibilities and could be a real benefit to the industry in terms of achieving CO2 emission reduction at relati…

Catalytic Processes in Materials ScienceCatalysts for Methane ReformingCatalysis and Oxidation Reactions

LnMOF@PVA nanofiber: energy transfer and multicolor light-emitting devices

Etelino Feijó de Melo、Naiana da C. Santana、Kleber Gonçalves Bezerra Alves 等 7 位作者2013-01-01Journal of Materials Chemistry C

In this paper, we report the use of electrospinning methods for the preparation of polymeric nanofibers containing Lanthanide–Organic Frameworks (LnMOFs) and present a detailed investigation of their spectroscopic properties. The nanocomposites were based in polyvinyl alcohol (PVA) and two isotypical 2D LnMOFs ([Ln(DP…

Metal-Organic Frameworks: Synthesis and ApplicationsLuminescence Properties of Advanced MaterialsLanthanide and Transition Metal Complexes

Influence of ferromagnetic connection of Ising-type DyIII-based single ion magnets on their magnetic slow relaxation

Xiaohui Yi、Kévin Bernot、Olivier Cador 等 7 位作者2013-01-01Dalton Transactions

Two Dy(III) ions can be water bridged to form a textbook example of ferromagnetic short-bridged Dy-dimers where strong Ising anisotropy can be evidenced by single-crystal rotating magnetometry. The dimers present both single ion and single molecule magnet behaviour. Magnetic dilution evidences the influence of the fer…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesAdvanced NMR Techniques and Applications

An in situ XAFS study—the formation mechanism of gold nanoparticles from X-ray-irradiated ionic liquid

Jingyuan Ma、Yang Zou、Zheng Jiang 等 8 位作者2013-01-01Physical Chemistry Chemical Physics

An in situ X-ray absorption fine structure (XAFS) experiment has been performed to observe the evolution of gold nanoparticles in the ionic liquid [BMIM][AuCl4], by hard X-ray irradiation. The ionic liquid acts as both a reducing agent and a protective ligand. A synchrotron-based X-ray plays the role of the irradiatio…

Catalytic Processes in Materials ScienceIonic liquids properties and applicationsElectrochemical Analysis and Applications

A stable 16-electron iridium(iii) hydride complex grafted on SBA-15: a single-site catalyst for alkene hydrogenation

Martino Rimoldi、Dániel Fodor、Jeroen A. van Bokhoven 等 4 位作者2013-01-01Chemical Communications

The dihydride pincer complex [IrH2(POCOP)] reacts with surface silanols of mesoporous silica (SBA-15) to give the coordinatively unsaturated, yet stable hydridesiloxo Ir(III) species [IrH(O-SBA-15)(POCOP)]. The silica-grafted complex catalyses the hydrogenation of ethene and propene at low temperature and pressure wit…

Catalytic Processes in Materials ScienceMesoporous Materials and CatalysisCatalysis and Oxidation Reactions

Highly soluble iron- and nickel-substituted decaniobates with tetramethylammonium countercations

Jung‐Ho Son、C. André Ohlin、William H. Casey2013-01-01Dalton Transactions

Iron- and nickel-substituted decaniobates, [H2Fe(III)Nb9O28](6-) and [H3Ni(II)Nb9O(28)](6-) were hydrothermally synthesized as tetramethylammonium salts and the structures were determined by X-ray crystallography. The highly soluble title compounds were characterized by ESI-MS, FT-IR and UV-Vis titration.

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

Effects of oxygen vacancy on the electronic structure and multiferroics in sol–gel derived Pb0.8Co0.2TiO3 thin films

Hanqing Zhao、Jiaou Wang、Linxing Zhang 等 7 位作者2013-01-01Dalton Transactions

The single phase Pb(0.8)Co(0.2)TiO3 thin films were synthesized on a Pt/Ti/SiO2/Si substrate by the sol-gel route. The present films exhibited homogeneous microstructure with low porosity. O 1s X-ray photoelectron spectroscopy (XPS) was used to detect the amount of oxygen vacancies. The ferroelectric measurements show…

Ferroelectric and Piezoelectric MaterialsMagnetic and transport properties of perovskites and related materialsMultiferroics and related materials