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All-Electron <I>GW</I> Calculations of Silicon, Diamond, and Silicon Carbide

Soh Ishii、Shohei Iwata、Kaoru Ohno2010-01-01MATERIALS TRANSACTIONS

All-electron GW calculations of Si, diamond, and SiC were carried out to obtain the quasiparticle energy spectra, for the first time, including both valence and core levels, corresponding to the ultraviolet and X-ray photoemission spectra (UPS and XPS). We used an all-electron mixed basis approach, in which wave funct…

High-pressure geophysics and materialsDiamond and Carbon-based Materials ResearchBoron and Carbon Nanomaterials Research

A new spin crossover heterometallic FeIIAgI coordination polymer with the [Ag2(CN)3]− unit: crystallographic and magnetic study

Takashi Kosone、Yusuke SUZUKI、Syota Ono 等 6 位作者2010-01-01Dalton Transactions

The novel bimetallic Fe(II)Ag(I) thermal-induced spin crossover coordination polymer {Fe(II)(3,5-dimethylpyridine)(2)[Ag(I)(2)(CN)(3)][Ag(I)(CN)(2)]}(n) was synthesized by one-pot reactions between 3,5-dimethylpyridine and K[Ag(I)(CN)(2)] in the presence of Fe(II) salt (FeSO(4).(NH(4))(2)SO(4).6H(2)O). Magnetic studie…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Natural Polysaccharides as Active Biomaterials in Nanostructured Films for Sensing

Carla Eiras、Amanda Costa Santos、Maysa F. Zampa 等 7 位作者2010-01-01Journal of Biomaterials Science Polymer Edition

The search for natural, biocompatible and degradable materials amenable to be used in biomedical/analytical applications has attracted attention, either from the environmental or medical point of view. Examples are the polysaccharides extracted from natural gums, which have found applications in the food and pharmaceu…

Nanocomposite Films for Food Packaging

Turning up the lights—fabrication of brighter SERRS nanotags

Laura C. Martin、Iain A. Larmour、Karen Faulds 等 4 位作者2010-01-01Chemical Communications

Brighter SERRS nanotags ideal for improved SERRS imaging were prepared by the controlled addition of electrolyte producing a dimer enriched solution, which was incubated with a Raman reporter before being stabilised by a polyethylene glycol (PEG) shell.

Gold and Silver Nanoparticles Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniquesSpectroscopy Techniques in Biomedical and Chemical Research

Biomimetic fabrication of pseudohexagonal aragonite tablets through a temperature-varying approach

Fenglin Liu、Yanyan Gao、Shiqiang Zhao 等 6 位作者2010-01-01Chemical Communications

Pseudohexagonal and single-crystal-like aragonite tablets, found in nacre, could be uniformly fabricated through a temperature-varying approach for the first time, indicating the triplet twinning nature and implying a potential significance in biomineralization.

Paleontology and Stratigraphy of FossilsCalcium Carbonate Crystallization and InhibitionCephalopods and Marine Biology

Maxillofacial Materials Reinforced with Various Concentrations of Polyhedral Silsesquioxanes

Sharif A. Mohammad、Alvin G. Wee、Deborah J. Rumsey 等 4 位作者2010-01-01Journal of Dental Biomechanics

This study evaluates two mechanical properties, tensile strength and tear strength, of maxillofacial materials reinforced with functional polyhedral silsesquioxane (POSS) nanoparticles at 0.0, 0.5, 1.0, 2.0, and 5.0% (mass/mass) loading. Adding POSS was found to significantly affect the overall tensile strength and ex…

Bone Tissue Engineering MaterialsFacial Trauma and Fracture ManagementSilicone and Siloxane Chemistry

Morphology control of calcium phosphate by mineralization on the β-sheet peptide template

Takayuki Nonoyama、Masayoshi Tanaka、Takatoshi Kinoshita 等 6 位作者2010-01-01Chemical Communications

To investigate the influence of the spatial placement of the organic functional groups in mineralization, an amphiphilic peptide assembled monolayer with strictly arrayed carboxyl groups was applied to a mineralization system of calcium phosphate.

Bone Tissue Engineering MaterialsCalcium Carbonate Crystallization and InhibitionSupramolecular Self-Assembly in Materials

Hencky Strain as a Measure to Evaluate Large Deformations Caused by Giant Straining Processes

Susumu Onaka2010-01-01Journal of the Japan Institute of Metals and Materials

The Hencky strain is a logarithmic strain extended to a three-dimensional analysis. By considering logarithm of matrix, components of the Hencky strain are calculated for tensile and shear deformations. ECAP (Equal-Channel Angular Pressing) and HPT (High Pressure Torsion) are giant straining processes based on simple…

Microstructure and mechanical propertiesElasticity and Material ModelingHigh-Velocity Impact and Material Behavior

Studies on Chemical Stability and Electrical Properties of Proton Conducting Perovskite-Like Doped BaCeO[sub 3]

Jasmine Dauter、N. Maffei、Surinderjit Singh Bhella 等 4 位作者2010-01-01Journal of The Electrochemical Society

The chemical stability and electrical properties of three promising perovskite-related structures , , and were tested in air, humidified and , as well as in . Powder X-ray diffraction studies confirmed the formation of a cubic perovskite-like structure. The change in the lattice constant was consistent with B-site sub…

Advancements in Solid Oxide Fuel CellsMagnetic and transport properties of perovskites and related materialsThermal Expansion and Ionic Conductivity

Interchromophore orientation scaffolding by m-terphenyl oxacyclophanes

Anshuman Mangalum、B. Paul Morgan、Jessica Hanley 等 7 位作者2010-01-01Chemical Communications

Modular oxacyclophanes featuring m-terphenyl units scaffold inter-pi-system interaction in face-to-face stacked or orthogonal orientations, leading to distinct photophysical properties.

Advanced Fluorescence Microscopy TechniquesPorphyrin and Phthalocyanine ChemistrySynthesis and Properties of Aromatic Compounds

Dual optical responses of phenothiazine derivatives: near-IR chromophore and water-soluble fluorescent organic nanoparticles

Sheng-Yuan Su、Hsin‐Hung Lin、Cheng‐Chung Chang2010-01-01Journal of Materials Chemistry

We have designed a conventional one-step organic coupling synthetic method to prepare a series of 10H-phenothiazine (PTZ) derivative fluorophores and investigated their optical behavior under alkaline conditions. The unexpected proton detachment at N-10 position (10N-H) of these PTZ derivatives provides switching betw…

Molecular Sensors and Ion DetectionPorphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent Materials

Probing the electronic structure of carbon nanotubes by nanoscale spectroscopy

P. Castrucci、Manuela Scarselli、M. De Crescenzi 等 5 位作者2010-01-01Nanoscale

Among the carbon allotropes newly discovered during the last few decades, carbon nanotubes (CNTs) have attracted enormous attention due to their structural and electronic properties with strong one dimensional character. The physical and chemical features of such systems are intrinsically rich and complex, and can onl…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

On the elastic characteristics of graphene and silicene

S. Yu. Davydov2010-01-01Physics of the Solid State

Analytical expressions for the central k 0 and noncentral k 1 force constants of two-dimensional (graphene, silicene) and three-dimensional (diamond, silicon) structures have been obtained within the previously proposed model of the binding energy of carbon atoms in graphene. The Kleinman internal displacement paramet…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Cross-Linking and Depolymerisation of γ-Irradiated Fish Gelatin and Porcine Gelatin Studied by SEC-MALLS and SDS-PAGE: A Comparative Study

Masayuki Hara、Naoki Koshimizu、Mayumi Yoshida 等 6 位作者2010-01-01Journal of Biomaterials Science Polymer Edition

gamma-Irradiation of gelatin and collagen hydrogels can be used for sterilization and mechanical stabilization, providing biomaterials suitable for both tissue engineering and drug-delivery systems. Controversial results have been reported regarding the extent of irradiation-induced cross-linking and degradation, whic…

Meat and Animal Product QualityProteins in Food SystemsCollagen: Extraction and Characterization

Solid-state 31P NMR characterisation of phosphinine-stabilised gold nanoparticles and a phosphinine-gold complex

Samith Komath Mallissery、Dietrich Gudat2010-01-01Dalton Transactions

Solid-State (31)P NMR studies reveal that phosphinine ligands employed for the stabilisation of gold nanoparticles react in part during the synthesis, and that the particles are stabilised by a mixture of intact phosphinine units together with several other surface-bound species. The spectral data of these species are…

Metal complexes synthesis and propertiesAdvanced biosensing and bioanalysis techniquesNanocluster Synthesis and Applications

Electrochemical absorption and oxidation of hydrogen on palladium alloys with platinum, gold and rhodium

Mariusz Łukaszewski、K. Hubkowska、A. Czerwiński2010-01-01Physical Chemistry Chemical Physics

Thin layers of Pd and its alloys with Pt, Au and Rh were prepared by electrodeposition on a Au substrate. Hydrogen electrosorption by the obtained electrodes was studied in 0.5 M H(2)SO(4) solution using cyclic voltammetry and chronoamperometry. The influence of the alloying process on selected thermodynamic (the amou…

Electrocatalysts for Energy ConversionHydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen Reduction

Monitoring early stages of silver particle formation in a polymer solution by in situ and time resolved small angle X-ray scattering

Gaetano Campi、Alessandra Mari、Heinz Amenitsch 等 6 位作者2010-01-01Nanoscale

Silver particles have been prepared by reduction of silver nitrate with ascorbic acid in acidic aqueous solution containing a low concentration of a commercial polynaphthalene sulfonate polymer (Daxad 19) as dispersant agent. The reduction has been induced and controlled by the slow addition of ascorbic acid at a fixe…

Gold and Silver Nanoparticles Synthesis and ApplicationsIron oxide chemistry and applicationsElectron and X-Ray Spectroscopy Techniques

Study on the air filtration performance of nanofibrous membranes compared with conventional fibrous filters

Han Wang、Gaofeng Zheng、Xiang Wang 等 4 位作者2010-01-01OpenAlex

Compared with conventional fibrous filters made of microfibers, the nanofibrous filters exhibit some special performances. Here, PVA nanofibrous membrane with thickness 28.37um was made by electrospinning 8% PVA solution on conventional cotton scaffold. The air filtration test system was built to test the filtration p…

Advanced Sensor and Energy Harvesting MaterialsElectrospun Nanofibers in Biomedical ApplicationsAerosol Filtration and Electrostatic Precipitation

Mono-substituted Keggin, Wells-Dawson and {P2W21}-type polyoxometalates without positional disorder

Rui Cao、Kevin P. O’Halloran、Daniel A. Hillesheim 等 5 位作者2010-01-01CrystEngComm

Three new phenyltin-substituted polyoxometalates, ((CH3)2NH2)4[Sn(C6H5)PW11O39] (1), K7[Sn(C6H5)P2W17O61] (2), and ((CH3)2NH2)6K[Sn(C6H5)(H2O)P2W20O70(H2O)2] (3), have been synthesized and characterized by single crystal X-ray diffraction, 31P and 1H NMR, and FT-IR spectroscopy. Significantly, the mono-substituted phe…

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

Structural and magnetic studies of Cu-doped ZnO films synthesized via a hydrothermal route

Tong Li、Haiming Fan、Jiabao Yi 等 8 位作者2010-01-01Journal of Materials Chemistry

Highly-textured n-type ZnO:Cu films with room-temperature ferromagnetism have been hydrothermally grown in aqueous solution at 90 °C using PLD-derived ZnO seed layers on different substrates (quartz, silicon, glass and sapphire). The crystallinity of the ZnO seed layers on different substrates plays an important role…

ZnO doping and propertiesCopper-based nanomaterials and applicationsGa2O3 and related materials