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Density Functional Theory Predictions of the Nonlinear Optical Properties in α-Quartz-type Germanium Dioxide

P. Hermet、G. Fraysse、Adrien Lignie 等 5 位作者2012-03-15The Journal of Physical Chemistry C

We calculated the lattice dynamics, the second-order nonlinear susceptibility, and the electro-optic response of the germanium dioxide in its α-quartz-type form (α-GeO 2 ) from first-principles calculations based on density functional theory. No theoretical or experimental investigations of these nonlinear optical pro…

Glass properties and applicationsCrystal Structures and PropertiesPhotorefractive and Nonlinear Optics

Energy levels of exciton traps in yttrium aluminum garnet single crystals

C. R. Varney、David T. Mackay、Autumn Pratt 等 5 位作者2012-03-15Journal of Applied Physics

Electronic defects and exciton traps were studied in yttrium aluminum garnet (YAG) single crystals by wavelength and temperature resolved thermoluminescence (TL). Measurements were carried out from room temperature to 400 °C on a number of rare earth (RE) doped and undoped YAG crystals, and the trap parameters were de…

Luminescence Properties of Advanced MaterialsRadiation Detection and Scintillator TechnologiesSolid-state spectroscopy and crystallography

Environment-dependent surface structures and stabilities of SnO2 from the first principles

Canhui Xu、Yong Jiang、Danqing Yi 等 5 位作者2012-03-15Journal of Applied Physics

We have employed density functional theory to investigate the (110), (101), (100), and (001) surfaces of SnO2 within the pseudopotential, plane-wave method. Based on a thermodynamic defect model, the surface stabilities were evaluated as functions of oxygen partial pressure and temperature. Calculations showed that, b…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsElectronic and Structural Properties of Oxides

Complementary metal-oxide-semiconductor-compatible and self-aligned catalyst formation for carbon nanotube synthesis and interconnect fabrication

Can Zhang、Feng Yan、Bernhard C. Bayer 等 13 位作者2012-03-15Journal of Applied Physics

We have for the first time developed a self-aligned metal catalyst formation process using fully CMOS (complementary metal-oxide-semiconductor) compatible materials and techniques, for the synthesis of aligned carbon nanotubes (CNTs). By employing an electrically conductive cobalt disilicide (CoSi2) layer as the start…

Carbon Nanotubes in CompositesNanowire Synthesis and ApplicationsSemiconductor materials and interfaces

Optical Characterization of Luminescence Polymer Blends Using Tauc/Davis-Mott Model

Ahmad Nazib Alias、T.T.I Kudin、Zubainun Mohamed Zabidi 等 5 位作者2012-03-15Advanced materials research

The optical and electronic structures of poly (N-carbazole) (PVK) blend with poly(vinylidene fluoride-co-hexafluoropropene) (PVDF-HFP) and polyvinylpyrrolidone (PVP) in the same composition were investigated. Polymer coating was carried out using doctor blade technique on a glass substrate. Uv-vis and photoluminescenc…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsPolymer Nanocomposite Synthesis and Irradiation

Preparation and Formation Mechanism of Elongated ( Ca , Dy )‐α‐Sialon Powder via Carbothermal Reduction and Nitridation

Juntong Huang、Heping Zhou、Zhaohui Huang 等 6 位作者2012-03-15Journal of the American Ceramic Society

( Ca , Dy ) co‐stabilized α‐Sialon with elongated grains was prepared from SiO 2 – AlN – CaF 2 – Dy 2 O 3 powders by carbothermal reduction‐nitridation ( CRN ) at 1700°C. Detailed investigations on the formation process of ( Ca , Dy )‐α‐Sialon elongated grains performed under various firing conditions revealed that th…

Luminescence Properties of Advanced MaterialsAdvanced ceramic materials synthesisGlass properties and applications

n‐Type Reduced Graphene Oxide Field‐Effect Transistors (FETs) from Photoactive Metal Oxides

Heejoun Yoo、Young‐Min Kim、Junghyun Lee 等 9 位作者2012-03-15Chemistry - A European Journal

Graphene is of considerable interest as a next-generation semiconductor material to serve as a possible substitute for silicon. For real device applications with complete circuits, effective n-type graphene field effect transistors (FETs) capable of operating even under atmospheric conditions are necessary. In this st…

Advanced Photocatalysis TechniquesGraphene research and applications

Structural phase transitions in Ti-doped Bi1-xNdxFeO3 ceramics

Kambiz Kalantari、Iasmi Sterianou、Derek C. Sinclair 等 6 位作者2012-03-15Journal of Applied Physics

Recently, it was demonstrated that donor doping with Ti on the B-site significantly reduces the conductivity in Bi0.85Nd0.15FeO3 ceramics [Kalantari et al., Adv. Funct. Mater. 21, 3737 (2011)]. In this contribution, the phase transitions as a function of Nd concentration are investigated in 3% Ti doped Bi1-xNdxFeO3 ce…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsDielectric properties of ceramics

Application of DEN refinement and automated model building to a difficult case of molecular-replacement phasing: the structure of a putative succinyl-diaminopimelate desuccinylase from Corynebacterium glutamicum

Axel T. Brünger、Debanu Das、Ashley M. Deacon 等 9 位作者2012-03-15Acta Crystallographica Section D Biological Crystallography

Phasing by molecular replacement remains difficult for targets that are far from the search model or in situations where the crystal diffracts only weakly or to low resolution. Here, the process of determining and refining the structure of Cgl1109, a putative succinyl-diaminopimelate desuccinylase from Corynebacterium…

Genomics and Phylogenetic StudiesProtein Structure and DynamicsEnzyme Structure and Function

La0.7Ca0.3MnO3 / Mn3O4 composites: Does an insulating secondary phase always enhance the low field magnetoresistance of manganites?

Shekhar D. Bhame、Jean-François Fagnard、M. Pękała 等 5 位作者2012-03-15Journal of Applied Physics

Composites of magnetoresistive La0.7Ca0.3MnO3 (LCMO) with insulating Mn3O4 are useful as a model system because no foreign cation is introduced in the LCMO phase by interdiffusion during the heat treatment. Here we report the magnetotransport properties as a function of sintering temperature Tsinter for a fixed LCMO/M…

Magnetic and transport properties of perovskites and related materialsRare-earth and actinide compoundsMagnetic Properties of Alloys

Synthesis and Antifungal Studies on CuO Nanostructures

M. Hussain Beevi、S. Vignesh、T. Pandiyarajan 等 7 位作者2012-03-15Advanced materials research

We report, synthesis and antifungal activities of CuO nanoparticles. Particles are prepared through sol-gel method. X-ray diffraction studies show the particles are monoclinic (crystalline) in nature. Scanning electron microscopic measurements are carried out to understand the morphology of the prepared particles. Ene…

ZnO doping and propertiesCopper-based nanomaterials and applicationsElectronic and Structural Properties of Oxides

Matrix Isolation Spectroscopic and Theoretical Study of Carbon Dioxide Activation by Titanium Oxide Molecules

Jia Zhuang、Zhen Hua Li、Kangnian Fan 等 4 位作者2012-03-15The Journal of Physical Chemistry A

The reactions of titanium monoxide and dioxide molecules with carbon dioxide were investigated by matrix isolation infrared spectroscopy. It was found that the titanium monoxide molecule is able to activate carbon dioxide to form the titanium dioxide-carbon monoxide complex upon visible light excitation via a weakly b…

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

Upgrade of automated sample exchanger SPACE

Hironori Murakami、Go Ueno、Nobutaka Shimizu 等 5 位作者2012-03-15Journal of Applied Crystallography

SPACE (SPring-8 precise automatic cryo-sample exchanger) is an automated sample exchanger for cryo-cooled protein crystals, developed at SPring-8. Since the start of its operation, SPACE has been continuously improved and upgraded to cope with the requirements of new beamlines and users. One important upgrade of SPACE…

Protein Structure and DynamicsEnzyme Structure and FunctionBiochemical and Molecular Research

Energy transfer and energy level decay processes in Tm3+-doped tellurite glass

Laércio Gomes、Joris Lousteau、Daniel Milanese 等 5 位作者2012-03-15Journal of Applied Physics

The primary excited state decay and energy transfer processes in singly Tm3+-doped TeO2:ZnO:Bi2O3:GeO2 (TZBG) glass relating to the 3F4 → 3H6 ∼1.85 μm laser transition have been investigated in detail using time-resolved fluorescence spectroscopy. Selective laser excitation of the 3H4 manifold at 794 nm, the 3H5 manif…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsSolid State Laser Technologies

Piezoresponse force microscopy and vibrating sample magnetometer study of single phased Mn induced multiferroic BiFeO3 thin film

Surbhi Gupta、Anjali Sharma、Monika Tomar 等 7 位作者2012-03-15Journal of Applied Physics

The effect of Bi excess (0 to 15%) and subsequently Mn doping (0 to 20%) on the structural, ferroelectric, and magnetic properties of BiFeO3 (BFO) thin films deposited by chemical solution deposition technique on low cost substrates are reported in the present work. No significant changes in crystallographic structure…

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

High quality p-type Ag-doped ZnO thin films achieved under elevated growth temperatures

Michelle A. Myers、Joon Hwan Lee、Zhenxing Bi 等 4 位作者2012-03-15Journal of Physics Condensed Matter

By correlating the effects of substrate temperature, oxygen pressure and laser energy on the electrical and microstructural properties of Ag-doped ZnO films grown on a sapphire (0001) substrate, p-type conductivity is achieved under various substrate temperatures in the wide range of 250-750 °C. All of the samples wer…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsElectronic and Structural Properties of Oxides

Dynamic response of a polymer-stabilized blue-phase liquid crystal

Jin Yan、Yuan Chen、Shin‐Tson Wu 等 6 位作者2012-03-15Journal of Applied Physics

Fast response time is the most attractive feature of polymer-stabilized blue phase liquid crystals (PS-BPLCs). We have investigated the dynamic response of a PS-BPLC under various electric fields and found that the response time becomes slower as the applied electric field exceeds a critical field. Further analyses of…

Liquid Crystal Research AdvancementsSurfactants and Colloidal SystemsMolecular spectroscopy and chirality

Half‐Metallic Carbon Nanotubes

Kyu Won Lee、Cheol Eui Lee2012-03-15Advanced Materials

Half-metallicity in carbon nanotubes is achieved and controlled by hydrogen adsorption patterns. The edge states in carbon nanotubes are unstable under an electric field due to the spin-conserving electron transfer between the edges, but a large enough transfer barrier between the edge states, obtained by controlling…

Advancements in Battery MaterialsCarbon Nanotubes in CompositesGraphene research and applications

On the origin of an additional Raman mode at 275 cm−1 in N-doped ZnO thin films

Keyue Wu、Qingqing Fang、Weina Wang 等 5 位作者2012-03-15Journal of Applied Physics

A systematic investigation on the optical properties of N-doped ZnO thin films was performed in order to understand the origin of an additional Raman mode at 275 cm−1. This Raman peak was observable only at N2 pressures lower than 30 Pa during pulsed laser deposition. Its intensity decreased with an increase of N2 pre…

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

Characterization of phosphorus-doped multiwalled carbon nanotubes

Dunieskys G. Larrudé、M.E.H. Maia da Costa、F. H. Monteiro 等 5 位作者2012-03-15Journal of Applied Physics

Phosphorus-doped multiwalled carbon nanotubes (P-MWNTs) have been successfully synthesized by spray pyrolysis methods using a solution of ferrocene and triphenylphosphine in toluene. Electron microscopy images reveal corrugated tubes with a special morphology, similar to a carbon necklace. P-MWNTs are shorter compared…

Carbon Nanotubes in CompositesGraphene research and applicationsBoron and Carbon Nanomaterials Research