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First-principles calculations of the initial incorporation of carbon into flat and stepped Pd surfaces

L. Nykänen、Jenni Andersin、Karoliina Honkala2010-02-17Physical Review B

We employ density-functional-theory calculations to examine carbon adsorption and diffusion in Pd bulk, and on Pd(111) and Pd(211) surfaces. Different possible subsurface and on-surface structures are explored and the most stable structures are analyzed. We calculate various diffusion paths: lateral diffusion on a sur…

Advanced Chemical Physics StudiesGraphene research and applicationsCatalytic Processes in Materials Science

Effect of calcination on microstructure and antibacterial activity of silver‐containing silica coatings

Caner Durucan、Betul Akkopru2010-02-17Journal of Biomedical Materials Research Part B Applied Biomaterials

Silver nanoparticle containing silica coatings on soda-lime glass were prepared by the sol-gel process. The effect of thermal densification treatment at different temperatures in the range of 100-700 degrees C on microstructure and antibacterial properties of the coatings were examined. The structural characterization…

Nanoparticles: synthesis and applicationsGold and Silver Nanoparticles Synthesis and ApplicationsLaser-Ablation Synthesis of Nanoparticles

Biocomposites: Their multifunctionality

Kin-tak Lau、Mei-po Ho、Chi-ting Au-Yeung 等 4 位作者2010-02-17International Journal of Smart and Nano Materials

During the last decade, tissue engineering has shown a considerable promise in providing more viable alternatives to surgical procedures for harvested tissues, implants and prostheses. Due to the fast development on nano- and biomaterial technologies, it is now possible for doctors to use patients' cells to repair ort…

Bone Tissue Engineering MaterialsElectrospun Nanofibers in Biomedical ApplicationsSilk-based biomaterials and applications

Dielectric Functions of Semiconductor Nanoparticles from the Optical Absorption Spectrum: The Case of CdSe and CdS

Marcelo Alves‐Santos、Rosa Di Felice、Guido Goldoni2010-02-17The Journal of Physical Chemistry C

We propose a new method to extract the complete size-dependent complex dielectric function ε( E ) of semiconductor nanoparticles (NPs) from spectroscopic data. Typical experimental absorption spectra are available in a limited energy range near the absorption edge. We show that this limitation can be overcome by match…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Evaluating Energy Storage Efficiency by Modeling the Voltage and Temperature Dependency in EDLC Electrical Characteristics

Tsuyoshi Funaki2010-02-17IEEE Transactions on Power Electronics

This study characterizes and models the temperature and charge voltage dependency in the electrical characteristics of a packed electric double layer capacitor (EDLC). The characterized results indicate that the frequency response of the terminal impedance in a packed EDLC varies with the charge voltage and temperatur…

Supercapacitor Materials and FabricationFuel Cells and Related MaterialsAdvanced Battery Technologies Research

Synthesis of Amphipathic YVO4:Eu3+ Nanophosphors by Oleate-Modified Nucleation/Hydrothermal-Growth Process

Takaaki Taniguchi、Tomoaki Watanabe、Ken‐ichi Katsumata 等 5 位作者2010-02-17The Journal of Physical Chemistry C

We have successfully employed an oleate-modified nucleation/hydrothermal growth process for the synthesis of YVO 4:Eu 3+ nanoparticles. Oleate-passivated YVO 4:Eu 3+ nanoparticles, formed by precipitation of Y/Eu-oleate complex by Na 3 VO 4 solution, were subjected to hydrothermal treatment at 200 °C for 6 h to initia…

Advanced Photocatalysis TechniquesLuminescence Properties of Advanced MaterialsQuantum Dots Synthesis And Properties

Direct Visualization of Water-Induced Relocation of Au Atoms from Oxygen Vacancies on a TiO2(110) Surface

Xiao Tong、Lauren Benz、Steeve Chrétien 等 6 位作者2010-02-17The Journal of Physical Chemistry C

Variable-temperature scanning tunneling microscopy (STM) is used to show that Au 1 + deposited onto a TiO 2 (110)-(1 × 1) surface under soft-landing conditions at 600 K results in a surface decorated with isolated gold atoms bound to oxygen vacancies. This result is in sharp contrast to the large, sintered islands whi…

Catalytic Processes in Materials ScienceCopper-based nanomaterials and applicationsElectronic and Structural Properties of Oxides

Cobalt Silicide Nanoparticles in Mesoporous Silica as Efficient Naphthalene Hydrogenation Catalysts by Chemical Vapor Deposition

Anqi Zhao、Xiaofei Zhang、Xiao Chen 等 5 位作者2010-02-17The Journal of Physical Chemistry C

Cobalt silicide nanoparticles in mesoporous silica SBA-15 were successfully prepared by metal-organic chemical vapor deposition of a single-source precursor and were characterized by nitrogen physorption, X-ray diffraction, temperature-programmed reduction, temperature-programmed desorption, and transmission electron…

Catalytic Processes in Materials ScienceMesoporous Materials and CatalysisCatalysis and Hydrodesulfurization Studies

Afterglow Luminescence of Lu2O3:Eu Ceramics Synthesized at Different Atmospheres

Joanna Trojan–Piegza、Eugeniusz Zych2010-02-17The Journal of Physical Chemistry C

Three series of Lu 2 O 3:Eu ceramic materials doped with different concentrations of Eu 3+ ions (0.05−5 atom %) were prepared by sintering at the temperature of 1700 °C of nanocrystalline powders. The heat-treatments were performed in oxidizing, slightly reducing, and strongly reducing atmosphere of air, vacuum, and a…

Luminescence Properties of Advanced MaterialsRadiation Detection and Scintillator TechnologiesGa2O3 and related materials

Effect of Pore Shape on Freezing and Melting Temperatures of Water

Kunimitsu Morishige、Hiroaki Yasunaga、Yuki Matsutani2010-02-17The Journal of Physical Chemistry C

To examine the effect of pore shape on freezing and melting temperatures of water, we measured X-ray diffraction patterns from water confined in four kinds of ordered mesoporous silicas with thin carbon films on the pore wall and three kinds of the inverse carbon replicas during freezing and melting processes. The mel…

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisAerogels and thermal insulation

Fluorescent Coordination Polymeric Gel from Tartaric Acid-Assisted Self-Assembly

Sudip K. Batabyal、Wei Lee Leong、Jagadese J. Vittal2010-02-17Langmuir

A fluorescent organogel is obtained from the reaction of Zn(OAc)(2) x 2 H(2)O, 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene (bpd), and tartaric acid (H(4)tar) in methanol. The gel is proposed to have formed by the cross-linking of linear 1D coordination polymers [Zn(bpd)](n) with tartarate coligand in a highly random fa…

Metal-Organic Frameworks: Synthesis and ApplicationsSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

Tests for the Use of La2Mo2O9‐based Oxides as Multipurpose SOFC Core Materials

J. Jacquens、David Farrusseng、S GEORGES 等 7 位作者2010-02-17Fuel Cells

Abstract The mixed ionic–electronic conductivity under dilute hydrogen, the stability and the catalytic activity under propane:air type mixtures of a series of LAMOX oxide‐ion conductors have been studied. The effect of exposure to dilute hydrogen on the conductivity of the β‐La 2 (Mo 2 – y W y )O 9 series at 600 °C d…

Advancements in Solid Oxide Fuel CellsCatalysis and Oxidation ReactionsElectronic and Structural Properties of Oxides

Controllable Modulation of the Electronic Structure of ZnO(1010) Surface by Carboxylic Acids

Xiaoqing Tian、Jianbin Xu、Weiguang Xie2010-02-17The Journal of Physical Chemistry C

A systematic investigation of the correlation between bonding geometries and electronic structures of mercapto-acetic acid molecule on the ZnO(101̅0) nonpolar surface is reported. The geometric structure calculation results are consistent with the recent Fourier transform infrared attenuated total reflectance (FT-IR-A…

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

Highly Condensed Fluorinated Methacrylate Hybrid Material for Transparent Low-k Passivation Layer in LCD-TFT

Jihoon Oh、Seung‐Yeon Kwak、SeungCheol Yang 等 4 位作者2010-02-17ACS Applied Materials & Interfaces

Photocurable and highly condensed fluorinated methacrylate oligosiloxane, with a low dielectric constant (kappa = 2.54), was prepared by a nonhydrolytic sol-gel condensation reaction. The oligosiloxane resin was then spin-coated, photocured, and thermally baked in order to fabricate a fluorinated methacrylate hybrid m…

Semiconductor materials and devicesThin-Film Transistor TechnologiesCopper Interconnects and Reliability

Gold Nanoparticle Aggregates Immobilized on High Surface Area Silica Substrate for Efficient and Clean SERS Applications

Andriy P. Budnyk、Alessandro Damin、Giovanni Agostini 等 4 位作者2010-02-17The Journal of Physical Chemistry C

A simple synthesis route based on the incipient wetness impregnation method originally designed for catalytic purposes has been developed to synthesize Au/SiO 2 samples containing increasing amounts of gold (0−50% by weight). In all cases, nanoparticles having about the same size distribution (with majority about 10 n…

Gold and Silver Nanoparticles Synthesis and ApplicationsLaser-induced spectroscopy and plasmaLaser-Ablation Synthesis of Nanoparticles

Polyoxometallate aus Gold – das Polyoxoaurat [AuIII4AsV4O20]8−

Natalya V. Izarova、Nina Vankova、Thomas Heine 等 7 位作者2010-02-17Angewandte Chemie

Nobler denn je: Der erste komplett anorganische, diskrete, vielkernige Gold(III)-Oxo-Komplex, [AuIII4AsV4O20]8− (siehe Struktur; Au gelb, As blau, O rot), wurde durch Kondensation von [Au(OH)4]− in Gegenwart von AsO43−-Ionen unter milden Reaktionsbedingungen erhalten. Das resultierende Polyoxoaurat ist ein Tetramer mi…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsNanocluster Synthesis and Applications

DFT Study of H Adsorption on Magnesium-Doped Aluminum Clusters

Adrian Varano、David J. Henry、Irene Yarovsky2010-02-17The Journal of Physical Chemistry A

In this study we use density functional theory (DFT) to investigate the properties and H adsorption characteristics of structural isomers of the magnesium-doped aluminum cluster, Al 12 Mg. Our results show that the exohedral structure ( exo -MgAl 12 ) is significantly lower in energy (1.59 eV) than the endohedral stru…

Hydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchSuperconductivity in MgB2 and Alloys

ITER Storage and Delivery System R&D in Korea

Seungyon Cho、Min Ho Chang、Sei-Hun Yun 等 13 位作者2010-02-17IEEE Transactions on Plasma Science

Korea is supposed to develop the ITER tritium storage and delivery system (SDS), which is one of the main components of the ITER tritium plant. For successful procurement, there are several ongoing R&D activities in the detailed design phase. Investigation of design parameters of the storage and delivery beds has been…

Fusion materials and technologiesNuclear reactor physics and engineeringMuon and positron interactions and applications

The Concept of a Low‐Temperature Synthesis for Superparamagnetic BaFe 12 O 19 Particles

Miha Drofenik、Irena Ban、Gregor Ferk 等 7 位作者2010-02-17Journal of the American Ceramic Society

Superparamagnetic Ba‐hexaferrite, BaFe 12 O 19 , nanoparticles were prepared by reacting tetrahydroxoferrates (III), [Fe(OH) 4 ] − ( aq ), and barium ions, Ba 2+ ( aq ), in an autoclave in the presence of a high concentration of hydroxide ions OH − . The synthesis temperature was between 80° and 140°C. The size and th…

Multiferroics and related materialsMagnetic Properties and Synthesis of FerritesIron oxide chemistry and applications

Fabrication of Silicon Nitride Nanoceramics and their Tribological Properties

Jae‐Hee Kim、B. Venkata Manoj Kumar、Seong‐Hyeon Hong 等 4 位作者2010-02-17Journal of the American Ceramic Society

Si 2 N 2 O secondary phase‐free, fully dense nano‐Si 3 N 4 ceramics (≥97% of theoretical density) were developed by combining carbothermal reduction treatment and spark plasma sintering (SPS), and their tribological properties were investigated by subjecting to self‐mated sliding under unlubricated conditions. Commerc…

Advanced ceramic materials synthesisMXene and MAX Phase MaterialsAdvanced materials and composites