Gilles Marcou、D. Horvath、Vitaly P. Solov’ev 等 6 位作者2012-08-21Molecular Informatics
Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting informati…
Machine Learning in Materials ScienceNuclear Physics and Applications
Kim Hyeon‐Deuk、Oleg V. Prezhdo2012-08-21Journal of Physics Condensed Matter
Photoexcited dynamics of electrons and holes in semiconductor quantum dots (QD), including phonon-induced relaxation, multiple exciton generation, fission and recombination (MEG, MEF and MER), were simulated by combining ab initio time-dependent density functional theory and non-adiabatic molecular dynamics. These non…
Semiconductor Quantum Structures and DevicesPerovskite Materials and ApplicationsQuantum Dots Synthesis And Properties
Yinghua Jin、Athena Jin、Ryan McCaffrey 等 5 位作者2012-08-21The Journal of Organic Chemistry
A series of dialdehyde compounds were synthesized and reacted with the complementary triamines (either planar or pyramidal with a 109.5° vertex) in a 3:2 ratio to explore the structural requirements on the building blocks for the successful construction of shape-persistent, covalent organic polyhedrons (COPs). Structu…
Metal-Organic Frameworks: Synthesis and ApplicationsSupramolecular Chemistry and ComplexesCovalent Organic Framework Applications
Xin‐Hao Li、Simon Kurasch、Ute Kaiser 等 4 位作者2012-08-21Angewandte Chemie
„Patchwork“-Graphen: Ein einfaches Syntheseverfahren ohne Katalysator und Lösungsmittel wandelt Glucose direkt in polykristalline Kohlenstoffschichten um, die aus 2–15 nm großen „Kristallflecken“ zusammengesetzt sind. Diese Graphene weisen eine hohe Leitfähigkeit und eine große spezifische Oberfläche auf und sind uner…
Graphene research and applicationsSupercapacitor Materials and FabricationCovalent Organic Framework Applications
L. S. Gomez-Villalba、Paula López-Arce、M. Alvarez de Buergo 等 4 位作者2012-08-21Crystal Growth & Design
The defects in calcium carbonate polymorphs forming when portlandite nanocrystals are exposed to high relative humidity were directly observed and analyzed under high-resolution transmission electron microscopy. The findings provided significant insight into aragonite to calcite phase transformation mechanisms. The ar…
Concrete and Cement Materials ResearchCalcium Carbonate Crystallization and InhibitionClay minerals and soil interactions
Andrey Novitsky、V. М. Galynsky、Sergei V. Zhukovsky2012-08-21Physical Review B
The electronic Lorentz theory is employed to explain the optical properties of planar split-ring metamaterials. Starting from the dynamics of individual free carriers, the electromagnetic response of an individual split-ring meta-atom is determined, and the effective permittivity tensor of the metamaterial is calculat…
Metamaterials and Metasurfaces ApplicationsElectromagnetic Scattering and AnalysisAdvanced Antenna and Metasurface Technologies
Sabine Frühbeißer、Franziska Gröhn2012-08-21Journal of the American Chemical Society
A new type of catalytically active self-assembled nanostructures in aqueous solution is presented. Polyelectrolyte-porphyrin nanoscale assemblies consisting of anionic cylindrical poly(styrene sulfonate) brush molecules and cationic tetravalent meso-tetrakis(4-N-methyl-pyridinium)porphyrin (TMPyP) or meso-tetrakis(4-(…
Supramolecular Chemistry and ComplexesPorphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent Materials
Yaokang Lv、Janina Willkomm、Michal Leskes 等 9 位作者2012-08-21Chemistry - A European Journal
The solvothermal reactions of Ti(OEt)(4) with LnCl(3) (Ln = La, Ce) produced new Ti(28) Ln cages, in which the Ln(3+) ions are coordinated within a metallocrown arrangement, which represents the highest nuclearity cages of this type (see figure).
Polyoxometalates: Synthesis and ApplicationsAdvanced Nanomaterials in CatalysisChemical Synthesis and Characterization
David Fernández Rivas、Bram Verhaagen、James R. T. Seddon 等 9 位作者2012-08-21Biomicrofluidics
We present an ultrasonic device with the ability to locally remove deposited layers from a glass slide in a controlled and rapid manner. The cleaning takes place as the result of cavitating bubbles near the deposited layers and not due to acoustic streaming. The bubbles are ejected from air-filled cavities micromachin…
Ultrasound and Hyperthermia ApplicationsMicrofluidic and Bio-sensing TechnologiesUltrasound and Cavitation Phenomena
Md. Ashiqur Rahman、Anthony M. Jacobi2012-08-21Langmuir
In the present study, contact angle hysteresis and sliding behavior of water droplets on parallel, periodic microgrooved brass surfaces are investigated experimentally for enhancement of water drainage and compared to that on flat baseline surfaces. The surfaces (a total of 17 microgrooved samples, with a range of gro…
Surface Modification and SuperhydrophobicityAdvanced Sensor and Energy Harvesting MaterialsAdhesion, Friction, and Surface Interactions
Mario Tagliazucchi、Martin G. Blaber、George C. Schatz 等 5 位作者2012-08-21ACS Nano
This work presents a novel modeling approach to calculate the optical properties of gold nanoparticles coated with stimuli-responsive polymers. This approach combines, for the first time, a molecular description of the soft material with an electrodynamics calculation of the optical properties of the system. A mean-fi…
Gold and Silver Nanoparticles Synthesis and ApplicationsPlasmonic and Surface Plasmon ResearchProtein Interaction Studies and Fluorescence Analysis
Hossein Sojoudi、Jose Baltazar、Laren M. Tolbert 等 5 位作者2012-08-21ACS Applied Materials & Interfaces
3-Aminopropyltriethoxysilane (APTES) and perfluorooctyltriethoxysilane (PFES) were used to modify the interface between transferred CVD graphene films and its supporting dielectric to create n-type and p-type graphene, respectively. A graphene p-n junction was obtained by patterning both modifiers on the same dielectr…
Graphene research and applications2D Materials and ApplicationsGraphene and Nanomaterials Applications
Nor Mas Mira Abd Rahman、Aziz Hassan、Rosiyah Yahya 等 5 位作者2012-08-21Journal of Reinforced Plastics and Composites
Polypropylene/E-glass fiber/nanoclay were compounded with a twin-screw extruder and injection molded. Thermal, dynamic mechanical, and impact tests were carried out. Differential scanning calorimetry investigations showed that the incorporation of nanoclay into polypropylene/glass fiber composite shifted the melting t…
Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesNatural Fiber Reinforced Composites
Reji Thomas、Yohei Yoshida、Takehito Akasaka 等 4 位作者2012-08-21Chemistry - A European Journal
Herein we report a group of five planar chiral molecules as photon-mode chiral switches for the reversible control of the self-assembled superstructures of doped chiral nematic liquid crystals. The chiral switches are composed of an asymmetrically substituted aromatic moiety and a photoisomerizing azobenzene unit conn…
Liquid Crystal Research AdvancementsPhotochromic and Fluorescence ChemistryAdvanced Materials and Mechanics
Sunil Kumar Ramamoorthy、Qin Di、Kayode Adekunle 等 4 位作者2012-08-21Journal of Reinforced Plastics and Composites
Natural fiber composites are known to absorb more water than glass fiber reinforced composites. In this study, hybrid natural fiber composites were prepared by combining different fiber reinforcements, and both the water absorption and the mechanical properties were studied. Compression molding technique was used to m…
Mechanical Behavior of CompositesNatural Fiber Reinforced CompositesTextile materials and evaluations
Alexander Gavriliuk、Ivan Trojan、Viktor V. Struzhkin2012-08-21Physical Review Letters
The insulator-metal transition was observed experimentally in nickel monoxide (NiO) at very high pressures of $\ensuremath{\sim}240\text{ }\text{ }\mathrm{GPa}$. The sample resistance becomes measurable at about 130 GPa and decreases substantially with the pressure increase to $\ensuremath{\sim}240\text{ }\text{ }\mat…
Physics of Superconductivity and MagnetismHigh-pressure geophysics and materialsMagnetic and transport properties of perovskites and related materials
Rana Mohtadi、Masaki Matsui、Timothy S. Arthur 等 4 位作者2012-08-21Angewandte Chemie
Mehr als ein Wasserstoffspeicher: Die erste reversible Abscheidung/Ablösung von Magnesium auf/von einem anorganischen Salz wurde bei einem Magnesiumborhydrid-Elektrolyten beobachtet. In Dimethoxyethan als Solvens wurde eine hohe Coulomb-Effizienz bis 94 % erreicht. Dieser Mg(BH4)2-Elektrolyt wurde in einer wiederaufla…
Hydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen ReductionSuperconductivity in MgB2 and Alloys
Takefumi Yamashita、Yuxing Peng、Chris Knight 等 4 位作者2012-08-21Journal of Chemical Theory and Computation
It is a computationally demanding task to explicitly simulate the electronic degrees of freedom in a system to observe the chemical transformations of interest, while at the same time sampling the time and length scales required to converge statistical properties and thus reduce artifacts due to initial conditions, fi…
Advanced Chemical Physics StudiesProtein Structure and DynamicsMachine Learning in Materials Science
Shun Chi、S. Grothe、Ruixing Liang 等 8 位作者2012-08-21Physical Review Letters
The superconducting compound LiFeAs is studied by scanning tunneling microscopy and spectroscopy. A gap map of the unreconstructed surface indicates a high degree of homogeneity in this system. Spectra at 2 K show two nodeless superconducting gaps with ${\ensuremath{\Delta}}_{1}=5.3\ifmmode\pm\else\textpm\fi{}0.1\text…
Physics of Superconductivity and MagnetismIron-based superconductors researchSuperconductivity in MgB2 and Alloys
Jiseul Chun、Ji Hoon Park、Jieun Kim 等 6 位作者2012-08-21Chemistry of Materials
This work suggests a synthetic method for tubular-shape evolution of amorphous and microporous organic networks. The gradual addition of a dihalo building block to its mixture with tetrakis(4-ethynylphenyl)methane under conventional Sonogashira coupling conditions resulted in the formation of tubular materials. The re…
Metal-Organic Frameworks: Synthesis and ApplicationsLuminescence and Fluorescent MaterialsCovalent Organic Framework Applications