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Prediction of Structure and Properties of Boron-Based Covalent Organic Frameworks by a First-Principles Derived Force Field

Saeed Amirjalayer、Randall Q. Snurr、Rochus Schmid2012-01-23The Journal of Physical Chemistry C

We present a method to theoretically predict structures in arbitrary network topologies for all currently known boron based covalent organic frameworks (COFs). This is particularly useful because these materials are accessible experimentally only as polycrystalline powders. The method is based on a new fully flexible…

Metal-Organic Frameworks: Synthesis and ApplicationsMembrane Separation and Gas TransportCovalent Organic Framework Applications

Plasmonic light trapping leads to responsivity increase in colloidal quantum dot photodetectors

F. Pelayo Garcı́a de Arquer、Fiona J. Beck、M. Bernechea 等 4 位作者2012-01-23Applied Physics Letters

We report broadband responsivity enhancement in PbS colloidal quantum dot (CQDs) photoconductive photodetectors due to absorption increase offered by a plasmonic scattering layer of Ag metal nanoparticles. Responsivity enhancements are observed in the near infrared with a maximum 2.4-fold increase near the absorption…

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

Large anisotropic remnant magnetization tunability in (011)-La2/3Sr1/3MnO3/0.7Pb(Mg2/3Nb1/3)O3-0.3PbTiO3 multiferroic epitaxial heterostructures

Yuanjun Yang、Mengmeng Yang、Zhenlin Luo 等 14 位作者2012-01-23Applied Physics Letters

A large anisotropic remnant magnetization tunability was observed in multiferroic (011)-La2/3Sr1/3MnO3/0.7Pb(Mg2/3Nb1/3)O3-0.3PbTiO3 (LSMO/PMN-0.3PT) epitaxial heterostructures. The remnant magnetization along [100] direction was suppressed by an electric field applied to the substrate while the remnant magnetization…

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

Stable p-Type Conduction from Sb-Decorated Head-to-Head Basal Plane Inversion Domain Boundaries in ZnO Nanowires

Andrew B. Yankovich、Brian Puchala、Fei Wang 等 9 位作者2012-01-23Nano Letters

We report that Sb-decorated head-to-head (H-H) basal plane inversion domain boundaries (b-IDBs) lead to stable p-type conduction in Sb-doped ZnO nanowires (NWs) due to Sb and O codoping. Aberration-corrected Z-contrast scanning transmission electron microscopy shows that all of the Sb in the NWs is incorporated into H…

ZnO doping and propertiesGa2O3 and related materialsElectronic and Structural Properties of Oxides

Reducing Oxidation of Foods Through Antioxidant Active Packaging Based on Ethyl Vinyl Alcohol and Natural Flavonoids

Carol López‐de‐Dicastillo、Davinson Pezo、Cristina Nerı́n 等 7 位作者2012-01-23Packaging Technology and Science

The development of antioxidant active packaging systems is attracting considerable attention as one of the preferred emerging technologies for reducing the incidence of lipid peroxidation. This work presents the use of ethylene vinyl alcohol copolymer films containing two natural flavonoids, catechin and quercetin, to…

Phytochemicals and Antioxidant ActivitiesPostharvest Quality and Shelf Life ManagementNanocomposite Films for Food Packaging

Evidence of ferroelectricity and phase transition in pressed diphenylalanine peptide nanotubes

Igor Bdikin、Vladimir Bystrov、Svitlana Kopyl 等 9 位作者2012-01-23Applied Physics Letters

Self-assembled peptide nanotubes (PNT) are unique nanoscale objects having a great potential for a multitude of applications. Strong piezoactivity and polar properties in aromatic dipeptides were recently observed in stand-alone nanotubes using piezoresponse force microscopy and 2nd harmonic generation. In this work,…

Acoustic Wave Resonator TechnologiesSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

Nanoscale Ferroelectric and Piezoelectric Properties of Sb2S3 Nanowire Arrays

Justin M. Varghese、Sven Barth、Lynette Keeney 等 5 位作者2012-01-23Nano Letters

We report the first observation of piezoelectricity and ferroelectricity in individual Sb(2)S(3) nanowires embedded in anodic alumina templates. Switching spectroscopy-piezoresponse force microscopy (SS-PFM) measurements demonstrate that individual, c-axis-oriented Sb(2)S(3) nanowires exhibit ferroelectric as well as…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsAcoustic Wave Resonator Technologies

Bioinspired High-Potential Porphyrin Photoanodes

Gary F. Moore、Steven J. Konezny、Hee-eun Song 等 10 位作者2012-01-23The Journal of Physical Chemistry C

We report a selection of high-potential porphyrin photoanodes (HPPPs) for use in photoelectrochemical cells (PECs). The anodes consist of bispentafluorophenyl free-base and metallo-porphyrin sensitizers bearing anchoring groups for attachment to metal-oxide surfaces including TiO 2 and SnO 2 nanoparticles. The term “h…

TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesPorphyrin and Phthalocyanine Chemistry

Communication: Improving the density functional theory+U description of CeO2 by including the contribution of the O 2p electrons

José J. Plata、Antonio M. Márquez、Javier Fdez. Sanz2012-01-23The Journal of Chemical Physics

Density functional theory (DFT) based approaches within the local-density approximation or generalized gradient approximation frameworks fail to predict the correct electron localization in strongly correlated systems due to the lack of cancellation of the Coulomb self-interaction. This problem might be circumvented e…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Crystallographic Evidence for Reversible Symmetry Breaking in a Spin‐Crossover d7 Cobalt(II) Coordination Polymer

Kishalay Bhar、Sumitava Khan、José Sánchez Costa 等 7 位作者2012-01-23Angewandte Chemie International Edition

All in a spin: A cobalt(II) coordination polymer has a highly cooperative spin-crossover (SCO) behavior with a small hysteresis loop (see picture; HS=high spin, LS=low spin). The correlation of the magnetic properties with the crystal structures was determined at different temperatures. This study reveals an unprecede…

Magnetism in coordination complexesOrganic and Molecular Conductors ResearchElectron Spin Resonance Studies

Template-Free One-Pot Synthesis of Porous Binary and Ternary Metal Nitride@N-Doped Carbon Composites from Ionic Liquids

Nina Fechler、Tim‐Patrick Fellinger、Markus Antonietti2012-01-23Chemistry of Materials

Herein we present a straightforward synthesis approach toward composites of titanium, vanadium, and titanium–vanadium nitride nanoparticles embedded in nitrogen-doped carbon. These materials can be easily prepared via the heat treatment of mixtures of the corresponding metal precursors TiCl 4 or VOCl 3 dissolved in th…

Advanced Photocatalysis TechniquesSemiconductor materials and devicesMXene and MAX Phase Materials

High-temperature thermoelectric properties of Cu1–xInTe2 with a chalcopyrite structure

Atsuko Kosuga、Theerayuth Plirdpring、Ryosuke Higashine 等 6 位作者2012-01-23Applied Physics Letters

We investigated the high-temperature thermoelectric properties of Cu1–xInTe2 (x = 0, 0.05, 0.1, 0.2) at 310–710 K. The electrical properties of this system were optimized by the presence of substoichiometric amounts of copper and additional phonon scattering by lattice defects and a secondary phase reduced the thermal…

Advanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin FilmsAdvanced Semiconductor Detectors and Materials

Spectrally resolved size-dependent third-order nonlinear optical properties of colloidal CdSe quantum dots

Marcin Nyk、Dominika Wawrzyńczyk、Janusz Szeremeta 等 4 位作者2012-01-23Applied Physics Letters

Nonlinear absorption and nonlinear refraction of colloidal CdSe quantum dots (QDs) of two sizes were investigated in a wide spectral range with the Z-scan technique using a tunable femtosecond laser system. The nonlinear absorption was found to be the strongest close to twice the wavelength of the second exciton absor…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsNonlinear Optical Materials Studies

Biomimetic, Mild Chemical Synthesis of CdTe-GSH Quantum Dots with Improved Biocompatibility

José M. Pérez‐Donoso、J. P. Monrás、Denisse Bravo 等 9 位作者2012-01-23PLoS ONE

Multiple applications of nanotechnology, especially those involving highly fluorescent nanoparticles (NPs) or quantum dots (QDs) have stimulated the research to develop simple, rapid and environmentally friendly protocols for synthesizing NPs exhibiting novel properties and increased biocompatibility. In this study, a…

Quantum Dots Synthesis And PropertiesNanocluster Synthesis and ApplicationsAdvanced Nanomaterials in Catalysis

A Polar Corundum Oxide Displaying Weak Ferromagnetism at Room Temperature

Man‐Rong Li、Umut Adem、S. R. C. McMitchell 等 20 位作者2012-01-23Journal of the American Chemical Society

Combining long-range magnetic order with polarity in the same structure is a prerequisite for the design of (magnetoelectric) multiferroic materials. There are now several demonstrated strategies to achieve this goal, but retaining magnetic order above room temperature remains a difficult target. Iron oxides in the +3…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsAdvanced Condensed Matter Physics

Microstructural Characterization of Next Generation Nuclear Graphites

C. Karthik、Joshua J. Kane、Darryl P. Butt 等 5 位作者2012-01-23Microscopy and Microanalysis

This article reports the microstructural characteristics of various petroleum and pitch based nuclear graphites (IG-110, NBG-18, and PCEA) that are of interest to the next generation nuclear plant program. Bright-field transmission electron microscopy imaging was used to identify and understand the different features…

Radiation Shielding Materials AnalysisGraphite, nuclear technology, radiation studiesNuclear and radioactivity studies

Coloration and application of pH‐sensitive dyes on textile materials

Lien Van der Schueren、Karen De Clerck2012-01-23Coloration Technology

A large number of studies have been devoted to the development of chromic textile materials because of their wide applicability as sensor systems. More recently, pH‐sensitive chromic textiles have also been investigated to a considerable extent, as the pH value is an important parameter in various circumstances. This…

Luminescence and Fluorescent MaterialsPhotochromic and Fluorescence ChemistryPolydiacetylene-based materials and applications

Enhanced magnetic properties of Dy3+ substituted Ni-Cu-Zn ferrite nanoparticles

Sagar E. Shirsath、R.H. Kadam、Sunil M. Patange 等 6 位作者2012-01-23Applied Physics Letters

Dy3+ substituted Ni-Cu-Zn (Ni0.4Cu0.4Zn0.2DyxFe2−xO4) ferrite nanoparticles were obtained at 600 °C by synthesizing sol-gel auto-combustion method, and they exhibit a particle size of 12–21 nm. X-ray diffraction patterns confirm the presence of secondary phase of DyFeO3 and Fe2O3 for the Dy3+ substituted samples. Ni-C…

Magnetic properties of thin filmsMagnetic Properties and Synthesis of FerritesMagneto-Optical Properties and Applications

Giant electro-mechanical energy conversion in [011] cut ferroelectric single crystals

Wen Dong、Peter Finkel、Ahmed Amin 等 4 位作者2012-01-23Applied Physics Letters

Giant electro-mechanical energy conversion is demonstrated under a ferroelectric/ferroelectric phase transformation in [011] cut and poled lead titanate-based relaxor perovskite morphotropic single crystals. It is found that under mechanical pre-stress, a relatively small oscillatory stress drives the material reversi…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsAcoustic Wave Resonator Technologies

Yellow-emitting γ-Ca_2SiO_4:Ce^3+, Li^+ phosphor for solid-state lighting: luminescent properties, electronic structure, and white light-emitting diode application

Ho Seong Jang、Hyun You Kim、Yang‐Soo Kim 等 5 位作者2012-01-23Optics Express

A new yellow-emitting γ-Ca2SiO4:Ce3+,Li+ phosphor was synthesized via a solid-state reaction. The phosphor showed a strong yellow emission with a wide bandwidth of 135.4 nm under blue light excitation. Absorption and photoluminescence measurements and density functional theory calculations suggest that the luminescenc…

Luminescence Properties of Advanced MaterialsLuminescence and Fluorescent MaterialsAmmonia Synthesis and Nitrogen Reduction