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Hybrid density functional study of oligothiophene/ZnO interface for photovoltaics

Na Sai、Kevin Leung、James R. Chelikowsky2011-03-21Physical Review B

Organic-inorganic donor-acceptor interfaces are gaining growing attention in organic photovoltaic applications as each component of the interface offers unique attributes. Here we use hybrid density functional theory to examine the electronic structure of sexithiophene/ZnO interfaces. We find that interfacial molecula…

ZnO doping and propertiesQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Lattice modelling of corrosion induced cracking and bond in reinforced concrete

Peter Grassl、Trevor Davies2011-03-21arXiv

A lattice approach is used to describe the mechanical interaction of a corroding reinforcement bar, the surrounding concrete and the interface between steel reinforcement and concrete. The cross-section of the ribbed reinforcement bar is taken to be circular, assuming that the interaction of the ribs of the deformed r…

Materials Science

Few graphene layers/carbon nanotube composites grown at complementary-metal-oxide-semiconductor compatible temperature

V. Jousseaume、J. Cuzzocrea、Nicolas Bernier 等 4 位作者2011-03-21Applied Physics Letters

We investigate the growth of the recently demonstrated composite material composed of vertically aligned carbon nanotubes capped by few graphene layers. We show that the carbon nanotubes grow epitaxially under the few graphene layers. By using a catalyst and gaseous carbon precursor different from those used originall…

Advancements in Battery MaterialsCarbon Nanotubes in CompositesGraphene research and applications

Quantum Confinement in CdTe Quantum Dots: Investigation through Cyclic Voltammetry Supported by Density Functional Theory (DFT)

Santosh K. Haram、Anjali Kshirsagar、Yogini D. Gujarathi 等 7 位作者2011-03-21The Journal of Physical Chemistry C

Cyclic voltammetry has been used as a tool to study the quantum confinement in oleic acid stabilized CdTe quantum dot dispersions. The band structure parameters, conduction band edge, valence band edge, and quasi-particle gap, have been estimated as a function of quantum dot size, ranging from ca. 2.4 to 4.7 nm and co…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsMolecular Junctions and Nanostructures

Amphiphilic Crescent-Moon-Shaped Microparticles Formed by Selective Adsorption of Colloids

Shin‐Hyun Kim、Alireza Abbaspourrad、David A. Weitz2011-03-21Journal of the American Chemical Society

We use a microfluidic device to prepare monodisperse amphiphilic particles in the shape of a crescent-moon and use these particles to stabilize oil droplets in water. The microfluidic device is comprised of a tapered capillary in a theta (θ) shape that injects two oil phases into water in a single receiving capillary.…

Surfactants and Colloidal SystemsInnovative Microfluidic and Catalytic Techniques InnovationPickering emulsions and particle stabilization

High‐Spin Cyclopentadienyl Complexes: A Single‐Molecule Magnet Based on the Aryl‐Iron(II) Cyclopentadienyl Type

Daniel Weismann、Yu Sun、Yanhua Lan 等 6 位作者2011-03-21Chemistry - A European Journal

The mononuclear high-spin iron(II) complex 1, coordinated by a pentaisopropylcyclopentadienide and an aryl group (see graphic), has been prepared and characterized by X-ray diffraction analysis. AC magnetic studies have revealed that this species exhibits slow magnetic relaxation and has the characteristics of a singl…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryLanthanide and Transition Metal Complexes

Injectable Multidomain Peptide Nanofiber Hydrogel as a Delivery Agent for Stem Cell Secretome

Erica L. Bakota、Yin Wang、Farhad R. Danesh 等 4 位作者2011-03-21Biomacromolecules

Peptide hydrogels show immense promise as therapeutic materials. Here we present a rationally designed multidomain peptide that self-assembles into nanofibers approximately 8 nm wide, 2 nm high, and micrometers in length in the presence of Mg(2+). At a concentration of 1% by weight, the peptide forms an extensive nano…

Hydrogels: synthesis, properties, applicationsRNA Interference and Gene DeliverySupramolecular Self-Assembly in Materials

Suppression of the Plasmon Resonance in Au/CdS Colloidal Nanocomposites

Elena Khon、Andrey S. Mereshchenko、Alexander N. Tarnovsky 等 8 位作者2011-03-21Nano Letters

The nature of exciton-plasmon interactions in Au-tipped CdS nanorods has been investigated using femtosecond transient absorption spectroscopy. The study demonstrates that the key optoelectronic properties of composite heterostructures comprising electrically coupled metal and semiconductor domains are substantially d…

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

Inflammatory responses of RAW 264.7 macrophages upon exposure to nanoparticles: Role of ROS-NFκB signaling pathway

Reddy P. Nishanth、Radhika G. Jyotsna、John J. Schlager 等 5 位作者2011-03-21Nanotoxicology

Recent advances in particle-forming chemistries used for developing nanotechnology has not only widened novel applications for nanoscale materials but also has provided significant concern regarding their biological effects. The present study investigates the inflammatory responses of RAW 264.7 mouse macrophages expos…

Nanoparticles: synthesis and applicationsPharmacological Effects of Medicinal PlantsBiomarkers in Disease Mechanisms

Synthesis and Capacitive Properties of Manganese Oxide Nanosheets Dispersed on Functionalized Graphene Sheets

Jintao Zhang、Jianwen Jiang、Xin Zhao2011-03-21OpenAlex

Functionalized graphene was prepared by reducing functionalized graphene oxide with poly(diallyldimethylammonium chloride) (PDDA), transferring the surface charge of reduced graphene oxide (RGO) from negative to positive. A composite material of functionalized RGO with manganese dioxide (MnO 2 ) nanosheets can be obta…

Advancements in Battery MaterialsSupercapacitor Materials and FabricationConducting polymers and applications

Single-Layer Behavior and Its Breakdown in Twisted Graphene Layers

Adina Luican、Guohong Li、Alfonso Reina 等 8 位作者2011-03-21OpenAlex

We report high magnetic field scanning tunneling microscopy and Landau level spectroscopy of twisted graphene layers grown by chemical vapor deposition. For twist angles exceeding ~3° the low energy carriers exhibit Landau level spectra characteristic of massless Dirac fermions. Above 20° the layers effectively decoup…

Graphene research and applicationsQuantum and electron transport phenomenaTopological Materials and Phenomena

Electromagnetic Heat-induced in Meso-structures: Computation of Temperature in Metallic Dimers

Dominique Barchiesi、Thomas Grosges、Eric J. Kremer 等 4 位作者2011-03-20OpenAlex

Abstract — The illumination of a dimer metallic nanostructure is known to produce an in-tense source of light, with nanometric size. This confinement of light in the gap between the two material structures can induce an increase of the absorption of the electromagnetic energy in the nanaoantenna itself, and therefore…

GaN-based semiconductor devices and materialsPhotonic Crystals and ApplicationsOptical Coatings and Gratings

Competitive Adsorption of CO2and H2O Molecules on the BaO (100) Surface: A First-Principle Study

Soonchul Kwon、Wang-Ro Lee、Hanna Lee 等 5 位作者2011-03-20Bulletin of the Korean Chemical Society

<TEX>$CO_2$</TEX> adsorption on mineral sorbents has a potential to sequester <TEX>$CO_2$</TEX>. This study used a density functional theory (DFT) study of <TEX>$CO_2$</TEX> adsorption on barium oxide (BaO) in the presence of <TEX>$H_2O$</TEX> to determine the role of <TEX>$H_2O$</TEX> on the <TEX>$CO_2$</TEX> adsorpt…

Catalytic Processes in Materials ScienceCarbon Dioxide Capture TechnologiesChemical Looping and Thermochemical Processes

Thermal Effect on Characteristics of IZTO Thin Films Deposited by Pulsed DC Magnetron Sputtering

Dong-Jin Son、Yoon-Duk Ko、Donggeun Jung 等 6 位作者2011-03-20Bulletin of the Korean Chemical Society

This study examined In-Zn-Sn-O (IZTO) films deposited on glass substrates by pulsed DC magnetron sputtering with various substrate temperatures. The structural, electrical, optical properties were analyzed. Xray diffraction showed that the IZTO films prepared at temperatures > <TEX>$150^{\circ}C$</TEX> were crystallin…

ZnO doping and propertiesOrganic Light-Emitting Diodes ResearchThin-Film Transistor Technologies

Fabrication of Superhydrophobic Metal Surfaces with Self-Assembled Monolayers of Silane Derivatives Having Inter-Hydrogen Bonding

Yeon-Hwa Park、Moon Hee Han、Yonghyun Ahn2011-03-20Bulletin of the Korean Chemical Society

In recent times, there has been an increasing interest in superhydrophobic surfaces, as these surfaces have applications in various fields. 1,2Many different methods for the fabrication of superhydrophobic surfaces have been reported; these include a sol-gel method, 3-6 chemical etching, 7,8 the application of a polym…

Surface Modification and SuperhydrophobicityMolecular Junctions and NanostructuresAdhesion, Friction, and Surface Interactions

Morphology and Charge Transport Properties of Chemically Synthesized Polyaniline-poly(ε-caprolactone) Polymer Films

C. Basavaraja、Dae‐Gun Kim、Won‐Jeong Kim 等 5 位作者2011-03-20Bulletin of the Korean Chemical Society

Conducting polyaniline-poly(<TEX>$\varepsilon$</TEX>-caprolactone) polymer composites were synthesized via in situ deposition techniques. By dissolving different weight percentages of poly(<TEX>$\varepsilon$</TEX>-caprolactone) (PCL) (10%, 20%, 30%, 40%, and 50%), the oxidative polymerization of aniline was achieved u…

Supercapacitor Materials and FabricationAdvanced Sensor and Energy Harvesting MaterialsConducting polymers and applications

Unveiling Stability Criteria of DNA-Carbon Nanotubes Constructs by Scanning Tunneling Microscopy and Computational Modeling

Svetlana Kilina、Dmitry Yarotski、A. Alec Talin 等 6 位作者2011-03-20Journal of Drug Delivery

We present a combined approach that relies on computational simulations and scanning tunneling microscopy (STM) measurements to reveal morphological properties and stability criteria of carbon nanotube-DNA (CNT-DNA) constructs. Application of STM allows direct observation of very stable CNT-DNA hybrid structures with…

Carbon Nanotubes in CompositesMolecular Junctions and NanostructuresMechanical and Optical Resonators

Post-Annealing Effects on Properties of ZnO Nanorods Grown on Au Seed Layers

Min-Young Cho、Minsu Kim、Hyun-Young Choi 等 5 位作者2011-03-20Bulletin of the Korean Chemical Society

ZnO nanorods were grown by hydrothermal method. Two kinds of seed layers, Au film and island seed layers were prepared to investigate the effect of seed layer on ZnO nanorods. The ZnO nanorod on Au island seed layer has more unifom diameter and higher density compared to that of ZnO nanorod on Au film seed layer. The…

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