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Recent Progress in Modeling, Simulation, and Optimization of Polymer Solar Cells

Guangyong Li、Liming Liu、Fanan Wei 等 5 位作者2012-06-18IEEE Journal of Photovoltaics

The power conversion efficiency of polymer solar cells today has passed 10%, the commonly acceptable value for commercial usage. However, in general labs, the power conversion efficiency routinely achievable is only at 3–5% because of the lack of effective tools to optimize the device design and the fabrication proces…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsNanowire Synthesis and Applications

Luminosity and propagation characteristics of sprite streamers initiated from small ionospheric disturbances at subbreakdown conditions

Burcu Kosar、Ningyu Liu、H. K. Rassoul2012-06-18Journal of Geophysical Research Atmospheres

This paper reports a modeling study on sprite streamer formation at subbreakdown conditions, i.e., the initiation of sprite streamers in a lightning field below the breakdown threshold field Ek. Successful formation of streamers is observed for a variety of electric fields with the lowest field of 0.3Ekwhen an appropr…

High voltage insulation and dielectric phenomenaLightning and Electromagnetic PhenomenaAerosol Filtration and Electrostatic Precipitation

Remarkable Effects of Terminal Groups and Solvents on Helical Folding of o-Phenylene Oligomers

Shinji Ando、Eisuke Ohta、Atsuko Kosaka 等 7 位作者2012-06-18Journal of the American Chemical Society

Although o-phenylene oligomers (OP(n)R) made of dimethoxyphenylene units are thought to be intrinsically dynamic due to π-electronic repulsion, we show that they fold into a regular helical geometry in CH(3)CN when they carry terminal groups such as CH(3), CH(2)OH, Br, CO(2)Bn, and NO(2). We evaluated their helical in…

Chemical Synthesis and AnalysisSynthesis and Properties of Aromatic CompoundsSupramolecular Self-Assembly in Materials

Atomistic mechanisms of cyclic hardening in metallic glass

Chuang Deng、Christopher A. Schuh2012-06-18Applied Physics Letters

Molecular dynamics with an embedded-atom method potential is used to simulate the nanoindentation of Cu[subscript 63.5]Zr[subscript 36.5] metallic glasses. In particular, the effects of cyclic loading within the nominal elastic range on the overall strength and plasticity of metallic glass are studied. The simulated r…

Glass properties and applicationsTheoretical and Computational PhysicsMetallic Glasses and Amorphous Alloys

Screening of Heterogeneous Multimetallic Nanoparticle Catalysts Supported on Metal Oxides for Mono-, Poly-, and Heteroaromatic Hydrogenation Activity

Nicole A. Beckers、Steven Huynh、Xiaojiang Zhang 等 5 位作者2012-06-18ACS Catalysis

A series of oxide supported mono-, bi-, and trimetallic nanoparticle catalysts were synthesized and screened for catalytic activity for the hydrogenation of mono-, poly-, and heteroaromatic substrates. Seventy-two different catalysts were screened for catalytic activity for the hydrogenation of toluene, naphthalene, p…

Catalytic Processes in Materials ScienceCatalysis and Hydrodesulfurization StudiesNanomaterials for catalytic reactions

Synthesis of rhenium nitride crystals with MoS2 structure

Fumio Kawamura、Hitoshi Yusa、Takashi Taniguchi2012-06-18Applied Physics Letters

Views Icon Views Article contents Figures & tables Video Audio Supplementary Data Peer Review Share Icon Share Twitter Facebook Reddit LinkedIn Tools Icon Tools Reprints and Permissions Cite Icon Cite Search Site Citation Fumio Kawamura, Hitoshi Yusa, Takashi Taniguchi; Synthesis of rhenium nitride crystals with MoS2…

Metal and Thin Film MechanicsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials

UV-Photo Graft Functionalization of Polyethersulfone Membrane with Strong Polyelectrolyte Hydrogel and Its Application for Nanofiltration

Roy Bernstein、Enrique Antón、Mathias Ulbricht2012-06-18ACS Applied Materials & Interfaces

A strong polyelectrolyte hydrogel was graft copolymerized on a polyethersulfone (PES) ultrafiltration (UF) membrane using vinyl sulfonic acid (VSA) as the functional monomer, and N,N'-methylenbisacrylamide (MBAA) as the cross-linker monomer. This was carried out in one simple step using the UV photoirradiation method.…

Membrane Separation TechnologiesAdvanced Polymer Synthesis and CharacterizationPolymer Surface Interaction Studies

Synthesis and Properties of Anion Conductive Ionomers Containing Tetraphenyl Methane Moieties

Xiuhua Li、Yingfeng Yu、Qunfang Liu 等 4 位作者2012-06-18ACS Applied Materials & Interfaces

A series of anion conductive aromatic ionomers, poly(arylene ether)s containing various polymer backbones and quaternary ammonium basic group functioned tetraphenyl methane moieties, were synthesized via nucleophilic substitution polycondensation, chloromethylation, quaternization, and the subsequent alkalization reac…

Fuel Cells and Related MaterialsConducting polymers and applicationsAnalytical Chemistry and Sensors

Vibrational Stark Effect of the Electric-Field Reporter 4-Mercaptobenzonitrile as a Tool for Investigating Electrostatics at Electrode/SAM/Solution Interfaces

Gal Schkolnik、Johannes Salewski、Diego Millo 等 6 位作者2012-06-18International Journal of Molecular Sciences

4-mercaptobenzonitrile (MBN) in self-assembled monolayers (SAMs) on Au and Ag electrodes was studied by surface enhanced infrared absorption and Raman spectroscopy, to correlate the nitrile stretching frequency with the local electric field exploiting the vibrational Stark effect (VSE). Using MBN SAMs in different met…

Quantum Dots Synthesis And PropertiesMolecular Junctions and NanostructuresSpectroscopy and Quantum Chemical Studies

[FeIV═O(TBC)(CH3CN)]2+: Comparative Reactivity of Iron(IV)-Oxo Species with Constrained Equatorial Cyclam Ligation

Samuel A. Wilson、Junying Chen、Seungwoo Hong 等 13 位作者2012-06-18Journal of the American Chemical Society

[Fe(IV)═O(TBC)(CH(3)CN)](2+) (TBC = 1,4,8,11-tetrabenzyl-1,4,8,11-tetraazacyclotetradecane) is characterized, and its reactivity differences relative to [Fe(IV)═O(TMC)(CH(3)CN)](2+) (TMC = 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane) are evaluated in hydrogen atom (H-atom) abstraction and oxo-transfer react…

Metal complexes synthesis and propertiesMagnetism in coordination complexesMetal-Catalyzed Oxygenation Mechanisms

Fluorescent magnetic nanoparticle-labeled mesenchymal stem cells for targeted imaging and hyperthermia therapy of in vivo gastric cancer

Jing Ruan、Jiajia Ji、Hua Song 等 7 位作者2012-06-18Nanoscale Research Letters

How to find early gastric cancer cells in vivo is a great challenge for the diagnosis and therapy of gastric cancer. This study is aimed at investigating the feasibility of using fluorescent magnetic nanoparticle (FMNP)-labeled mesenchymal stem cells (MSCs) to realize targeted imaging and hyperthermia therapy of in vi…

Nanoparticle-Based Drug DeliveryMesenchymal stem cell researchElectrospun Nanofibers in Biomedical Applications

Inhibition of Proinflammatory Biomarkers in THP1 Macrophages by Polyphenols Derived From Chamomile, Meadowsweet and Willow bark

Elaine Drummond、Niamh Harbourne、Eunice Marete 等 7 位作者2012-06-18Phytotherapy Research

Antiinflammatory compounds in the diet can alleviate excessive inflammation, a factor in the pathogenesis of common diseases such as rheumatoid arthritis, atherosclerosis and diabetes. This study examined three European herbs, chamomile (Matricaria chamomilla), meadowsweet (Filipendula ulmaria L.) and willow bark (Sal…

Natural product bioactivities and synthesisPhytochemistry and Biological ActivitiesPhytochemistry and Bioactive Compounds

Experimental and Modeling Study of the Oxidation Kinetics of n-Undecane and n-Dodecane in a Jet-Stirred Reactor

Amir Mzé-Ahmed、K. Hadj-Ali、Philippe Dagaut 等 4 位作者2012-06-18Energy & Fuels

The kinetics of oxidation of two large n -alkanes ( n -undecane and n -dodecane) was studied experimentally in a jet-stirred reactor (JSR) at high pressure ( P = 10 bar), at temperatures ranging from 550 to 1150 K, at a constant residence time (τ) of 1 s, and for three equivalence ratios (ϕ = 0.5, 1.0, and 2.0). Chemi…

Advanced Combustion Engine TechnologiesCatalytic Processes in Materials ScienceHeat transfer and supercritical fluids

Synthesis of Polyyne Rotaxanes

Levon D. Movsisyan、Dmitry V. Kondratuk、Michael Franz 等 6 位作者2012-06-18Organic Letters

Active-metal templating has been used to synthesize rotaxanes consisting of a phenanthroline-based macrocycle threaded around a C8, C12, or C20 polyyne chain. The crystal structure of the C12 rotaxane has been determined. In the rhenium(I) carbonyl complex of this rotaxane, with Re(CO)(3)Cl coordinated to the phenanth…

Supramolecular Chemistry and ComplexesPorphyrin and Phthalocyanine ChemistrySilicone and Siloxane Chemistry

Chiral symmetry breaking and pair-creation mediated Walker breakdown in magnetic nanotubes

Ming Yan、Christian Andreas、Attila Kákay 等 5 位作者2012-06-18Applied Physics Letters

Field-driven domain wall (DW) propagation in ferromagnetic nanotubes displays unusual effects, as revealed by a micromagnetic study. The left-right symmetry of the DW dynamics is broken, yielding markedly different DW mobilities for opposite propagation directions. This asymmetry arises from the tubular geometry and i…

Physics of Superconductivity and MagnetismMagnetic properties of thin filmsZnO doping and properties

Oxygen migration induced resistive switching effect and its thermal stability in W/TaOx/Pt structure

C. Chen、Chen Song、Jaesung Yang 等 5 位作者2012-06-18Applied Physics Letters

We investigate the resistive switching mechanism and the thermal stability in room temperature-fabricated nonvolatile memory consisting of W/TaOx/Pt. By comparing the chemical bonding of Ta 4f between high and low resistance states at W/TaOx and TaOx/Pt interfaces, the switching mechanism is confirmed to be dominated…

Advanced Memory and Neural ComputingTransition Metal Oxide NanomaterialsFerroelectric and Negative Capacitance Devices

Dye‐Sensitized TiO2 Nanotube Solar Cells: Rational Structural and Surface Engineering on TiO2 Nanotubes

Jun Wang、Zhiqun Lin2012-06-18Chemistry - An Asian Journal

Owing to well-defined structural parameters and enhanced electronic properties, highly ordered TiO(2) nanotube arrays have been employed to substitute TiO(2) nanoparticles for use in dye-sensitized solar cells. To further improve the performance of dye-sensitized TiO(2) nanotube solar cells, efforts have been directed…

TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesAdvanced Nanomaterials in Catalysis

Structural Modulation in the High Capacity Battery Cathode Material LiFeBO3

Y. Janssen、Derek S. Middlemiss、Shou‐Hang Bo 等 5 位作者2012-06-18Journal of the American Chemical Society

The crystal structure of the promising Li-ion battery cathode material LiFeBO(3) has been redetermined based on the results of single crystal X-ray diffraction data. A commensurate modulation that doubles the periodicity of the lattice in the a-axis direction is observed. When the structure of LiFeBO(3) is refined in…

Advancements in Battery MaterialsBoron and Carbon Nanomaterials ResearchX-ray Diffraction in Crystallography

Magnetic anisotropy in ordered textured Co nanowires

L. Vivas、Juan Escrig、Daniel G. Trabada 等 5 位作者2012-06-18Applied Physics Letters

The magnetization reversal in ordered arrays of Co nanowires with tailored hcp-phase texture, controlled by pH synthesis and nanowires length, has been investigated. The angular dependence of coercivity has been experimentally determined for different crystal textures, and the corresponding magnetization reversal mode…

Magnetic properties of thin filmsZnO doping and propertiesMagnetic Properties and Applications

Poly(dimethyl siloxane) (PDMS) network blends of amphiphilic acrylic copolymers with poly(ethylene glycol)-fluoroalkyl side chains for fouling-release coatings. II. Laboratory assays and field immersion trials

Elisa Martinelli、Mahesh K. Sarvothaman、Giancarlo Galli 等 11 位作者2012-06-18Biofouling

Amphiphilic copolymers containing different amounts of poly(ethylene glycol)-fluoroalkyl acrylate and polysiloxane methacrylate units were blended with a poly(dimethyl siloxane) (PDMS) matrix in different proportions to investigate the effect of both copolymer composition and loading on the biological performance of t…

Polymer Surface Interaction StudiesMarine Biology and Environmental ChemistryEnvironmental Chemistry and Analysis