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Multiferroicity in TTF-CA Organic Molecular Crystals Predicted throughAb InitioCalculations

Gianluca Giovannetti、Sanjeev Kumar、Alessandro Stroppa 等 5 位作者2009-12-28Physical Review Letters

We show by means of ab initio calculations that the organic molecular crystal TTF-CA is multiferroic: it has an instability to develop spontaneously both ferroelectric and magnetic ordering. Ferroelectricity is driven by a Peierls transition of the TTF-CA in its ionic state. Subsequent antiferromagnetic ordering stron…

Perovskite Materials and ApplicationsOrganic and Molecular Conductors ResearchSolid-state spectroscopy and crystallography

Highly Active Mesoporous Nb–W Oxide Solid‐Acid Catalyst

Caio Tagusagawa、Atsushi Takagaki、Ai Iguchi 等 9 位作者2009-12-28Angewandte Chemie International Edition

Pore-ing acid: Mesoporous Nb–W oxides (Nb:W=3:7) are found to be a recyclable, highly active solid acid. They surpass ion-exchange resins (Nafion NR50 and Amberlyst-15) and zeolites (H-ZSM5 and H-Beta) in Friedel–Crafts alkylation and hydrolysis reactions (see picture). The high activity is due to strong acid sites an…

Mesoporous Materials and CatalysisCatalysis for Biomass ConversionPolyoxometalates: Synthesis and Applications

Cluster-Assembled Materials: Toward Nanomaterials with Precise Control over Properties

Meichun Qian、Arthur C. Reber、Angel Ugrinov 等 9 位作者2009-12-28ACS Nano

One pathway toward nanomaterials with controllable band gaps is to assemble solids where atomic clusters serve as building blocks, since the electronic structures of clusters vary with size and composition. To study the role of organization in cluster assemblies, we synthesized multiple architectures incorporating As(…

Catalytic Processes in Materials ScienceQuantum Dots Synthesis And PropertiesNanocluster Synthesis and Applications

First-principles modeling of ferroelectric capacitors via constrained displacement field calculations

Massimiliano Stengel、David Vanderbilt、Nicola A. Spaldin2009-12-28Physical Review B

First-principles modeling of ferroelectric capacitors presents several technical challenges due to the coexistence of metallic electrodes, long-range electrostatic forces, and short-range interface chemistry. Here we show how these aspects can be efficiently and accurately rationalized by using a finite-field density-…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsElectronic and Structural Properties of Oxides

Implementation of Nano-scale Rectifiers: An Exact Study

Santanu K. Maiti2009-12-28arXiv

We propose the possibilities of designing nano-scale rectifiers using mesoscopic rings. A single mesoscopic ring is used for half-wave rectification, while full-wave rectification is achieved using two such rings and in both cases each ring is threaded by a time varying magnetic flux $ϕ$ which plays a central role in…

Mesoscale and Nanoscale PhysicsMaterials Science

Low-temperature ballistic transport in nanoscale epitaxial graphene cross junctions

S. Weingart、C. Bock、U. Kunze 等 6 位作者2009-12-28Applied Physics Letters

We report on the observation of inertial-ballistic transport in nanoscale cross junctions fabricated from epitaxial graphene grown on SiC(0001). Ballistic transport is indicated by a negative bend resistance of R12,43≈−170 Ω, which is measured in a nonlocal, four-terminal configuration at 4.2 Κ and which vanishes as t…

Graphene research and applicationsThermal properties of materialsNanopore and Nanochannel Transport Studies

Oxidation states of graphene: Insights from computational spectroscopy

WenHua Zhang、Vincenzo Carravetta、Zhenyu Li 等 5 位作者2009-12-28The Journal of Chemical Physics

When it is oxidized, graphite can be easily exfoliated forming graphene oxide (GO). GO is a critical intermediate for massive production of graphene, and it is also an important material with various application potentials. With many different oxidation species randomly distributed on the basal plane, GO has a complic…

Graphene research and applicationsFiber-reinforced polymer compositesGraphene and Nanomaterials Applications

Sub-critical model of damage evolution as a phase transition

S. G. Abaimov2009-12-28arXiv

Many studies investigated the application of statistical mechanics to damage phenomena. However, so far the association of damage with statistical mechanics is far from completely developed. One of the most successful approaches maps the strength elements onto the spins of a lattice. This allows applying the formalism…

Materials Sciencecond-mat.stat-mech

Ruthenium Bis(σ‐BH) Aminoborane Complexes from Dehydrogenation of Amine–Boranes: Trapping of H2BNH2

Gilles Alcaraz、Laure Vendier、Eric Clot 等 4 位作者2009-12-28Angewandte Chemie International Edition

One small step for ammonia–borane: The simplest elementary aminoborane compound H2BNH2, which results from dehydrogenation of ammonia–borane, has been trapped by a ruthenium complex fragment leading to the isolation of a bis(σ-BH) aminoborane complex. The analogous H2BNHMe and H2BNMe2 complexes were also prepared. (P…

Hydrogen Storage and MaterialsBoron Compounds in ChemistryAmmonia Synthesis and Nitrogen Reduction

Compact and Light Supercapacitor Electrodes from a Surface‐Only Solid by Opened Carbon Nanotubes with 2 200 m2 g−1 Surface Area

Tatsuki Hiraoka、Ali Izadi‐Najafabadi、Takeo Yamada 等 10 位作者2009-12-28Advanced Functional Materials

Abstract An approach is presented to make a “surface‐only solid” with a surface area of 2 240 m 2 g −1 (1 310 m 2 cm −3 ), corresponding to 85% of the atoms constituting a surface, by opening single‐walled carbon nanotube forests and solids via controlled oxidation. The controllability of the approach is demonstrated…

Graphene research and applicationsSupercapacitor Materials and FabricationAdvanced battery technologies research

New Strategy for Synthesis and Functionalization of Carbon Nanoparticles

Hongquan Jiang、Feng Chen、M. G. Lagally 等 4 位作者2009-12-28Langmuir

We describe a novel "one-step" combined synthesis and functionalization of carbon nanoparticles, using a new generation of all-in-one small submerged-arc plasma reactor that we have developed. We take advantage of long-lived free radicals generated by a submerged-arc helium atmosphere plasma and resident on the nanopa…

Graphene research and applicationsCarbon and Quantum Dots ApplicationsGraphene and Nanomaterials Applications

Biomimetic Chemosensor: Designing Peptide Recognition Elements for Surface Functionalization of Carbon Nanotube Field Effect Transistors

Zhifeng Kuang、Sang N. Kim、Wendy J. Crookes‐Goodson 等 5 位作者2009-12-28ACS Nano

Single-wall carbon nanotube field effect transistors (SWNT-FETs) are ideal candidates for fabricating sensors due to their unique electronic properties and have been widely investigated for chemical and biological sensing applications. The lack of selectivity of SWNT-FETs has prompted extensive research on developing…

Carbon Nanotubes in CompositesMechanical and Optical ResonatorsDiatoms and Algae Research

Second harmonic generation from graphene and graphitic films

Jesse Dean、H. M. van Driel2009-12-28Applied Physics Letters

Optical second harmonic generation (SHG) of 800 nm, 150 fs fundamental pulses is observed from exfoliated graphene and multilayer graphitic films mounted on an oxidized silicon (001) substrate. The SHG anisotropy is observed as a sample is rotated about the surface normal. For p-polarized fundamental and SHG light, th…

Carbon Nanotubes in CompositesGraphene research and applicationsSpectroscopy and Quantum Chemical Studies

Correlation between linear resistivity andTcin the Bechgaard salts and the pnictide superconductorBa(Fe1−xCox)2As2

N. Doiron-Leyraud、Pascale Auban‐Senzier、S. René de Cotret 等 7 位作者2009-12-28Physical Review B

The quasi-one-dimensional organic Bechgaard salt ${(\text{TMTSF})}_{2}{\text{PF}}_{6}$ displays spin-density-wave (SDW) order and superconductivity in close proximity in the temperature-pressure phase diagram. We have measured its normal-state electrical resistivity ${\ensuremath{\rho}}_{a}(T)$ as a function of temper…

Physics of Superconductivity and MagnetismRare-earth and actinide compoundsIron-based superconductors research

Contact resistance between metal and carbon nanotube interconnects: Effect of work function and wettability

Seong Chu Lim、Jin Ho Jang、Dong Jae Bae 等 7 位作者2009-12-28Applied Physics Letters

The contact resistance of 14 different electrode metals with the work function between 3.9 and 5.7 eV has been investigated for carbon nanotube (CNT) interconnects. We observed that the contact resistance was mainly influenced by the two following parameters: the wettability and the work function difference of electro…

Carbon Nanotubes in CompositesGraphene research and applicationsThermal properties of materials

Origin and temperature dependence of radiation damage in biological samples at cryogenic temperatures

Alke Meents、Sascha Gutmann、Armin Wagner 等 4 位作者2009-12-28Proceedings of the National Academy of Sciences

Radiation damage is the major impediment for obtaining structural information from biological samples by using ionizing radiation such as x-rays or electrons. The knowledge of underlying processes especially at cryogenic temperatures is still fragmentary, and a consistent mechanism has not been found yet. By using a c…

Enzyme Structure and FunctionX-ray Spectroscopy and Fluorescence AnalysisNuclear Physics and Applications

The Effect of a Common Purification Procedure on the Chemical Composition of the Surfaces of CdSe Quantum Dots Synthesized with Trioctylphosphine Oxide

Adam J. Morris-Cohen、Martin D. Donakowski、Kathryn E. Knowles 等 4 位作者2009-12-28The Journal of Physical Chemistry C

This paper describes a quantitative analysis of the chemical composition of organic/inorganic interfaces of colloidal 3.1-nm CdSe quantum dots (QDs) synthesized with trioctylphosphine oxide (TOPO) as the coordinating solvent and purified by successive precipitations from a chloroform/methanol solvent/nonsolvent system…

Advanced Photocatalysis TechniquesQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Rheology and extrusion foaming of chain‐branched poly(lactic acid)

Mihaela Mihai、Michel A. Huneault、Basil D. Favis2009-12-28Polymer Engineering and Science

Abstract In this study, the effect of macromolecular chain‐branching on poly(lactic acid) (PLA) rheology, crystallization, and extrusion foaming was investigated. Two PLA grades, an amorphous and a semi‐crystalline one, were branched using a multifunctional styrene‐acrylic‐epoxy copolymer. The branching of PLA and its…

biodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysisPolymer Foaming and Composites

NDTB‐1: A Supertetrahedral Cationic Framework That Removes TcO4− from Solution

Shuao Wang、Evgeny V. Alekseev、Juan Diwu 等 7 位作者2009-12-28Angewandte Chemie International Edition

Cleaning up: A cubic thorium borate possesses a porous supertetrahedral cationic framework with extraframework borate anions. These anions are readily exchanged with a variety of environmental contaminants (see picture), especially those from the nuclear industry, including chromate and pertechnetate.

Crystal Structures and PropertiesLayered Double Hydroxides Synthesis and ApplicationsChemical Synthesis and Characterization

Gd(III)-Nanodiamond Conjugates for MRI Contrast Enhancement

Lisa M. Manus、Daniel J. Mastarone、Emily A. Waters 等 8 位作者2009-12-28OpenAlex

A Gd(III)-nanodiamond conjugate [Gd(III)-ND] was prepared and characterized, enabling detection of nanodiamonds by MR imaging. The Gd(III)-ND particles significantly reduced the T(1) of water protons with a per-Gd(III) relaxivity of 58.82 +/- 1.18 mM(-1) s(-1) at 1.5 T (60 MHz). This represents a 10-fold increase comp…

Advanced MRI Techniques and ApplicationsMagnetism in coordination complexesLanthanide and Transition Metal Complexes