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Doping of Organic Semiconductors: Impact of Dopant Strength and Electronic Coupling

H. Méndez、Georg Heimel、Andreas Opitz 等 14 位作者2013-06-19Angewandte Chemie International Edition

Molecular doping: The standard model for molecular p-doping of organic semiconductors (OSCs) assumes integer charge transfer between OSC and dopant. This is in contrast to an alternative model based on intermolecular complex formation instead. By systematically varying the acceptor strength it was possible to discrimi…

Organic Electronics and PhotovoltaicsOrganic Light-Emitting Diodes ResearchConducting polymers and applications

Functional Groups Determine Biochar Properties (pH and EC) as Studied by Two-Dimensional 13C NMR Correlation Spectroscopy

Xiaoming Li、Qirong Shen、Dongqing Zhang 等 7 位作者2013-06-19PLoS ONE

While the properties of biochar are closely related to its functional groups, it is unclear under what conditions biochar develops its properties. In this study, two-dimensional (2D) (13)C nuclear magnetic resonance (NMR) correlation spectroscopy was for the first time applied to investigate the development of functio…

Soil Carbon and Nitrogen DynamicsAdsorption and biosorption for pollutant removalClay minerals and soil interactions

Rationale of Drug Encapsulation and Release from Biocompatible Porous Metal–Organic Frameworks

Denise Cunha、Mouna Ben Yahia、Shaun Hall 等 9 位作者2013-06-19Chemistry of Materials

A joint experimental and computational systematic exploration of the driving forces that govern (i) encapsulation of active ingredients (solvent, starting material dehydration, drug/material ratio, immersion time, and several consecutive impregnations) and (i) its kinetics of delivery (structure, polarity, ...) was pe…

Nanoparticle-Based Drug DeliveryMetal-Organic Frameworks: Synthesis and ApplicationsCovalent Organic Framework Applications

Vacancy Associates Promoting Solar-Driven Photocatalytic Activity of Ultrathin Bismuth Oxychloride Nanosheets

Meili Guan、Chong Xiao、Jie Zhang 等 10 位作者2013-06-19Journal of the American Chemical Society

Crystal facet engineering of semiconductors is of growing interest and an important strategy for fine-tuning solar-driven photocatalytic activity. However, the primary factor in the exposed active facets that determines the photocatalytic property is still elusive. Herein, we have experimentally achieved high solar ph…

Advanced Photocatalysis TechniquesPerovskite Materials and ApplicationsGa2O3 and related materials

Antiferromagnetic fluctuations and proton Schottky heat capacity in doped organic conductor κ-(BEDT-TTF)4Hg2.78Cl8

Ryo Yoshimoto、Akihito Naito、Satoshi Yamashita 等 4 位作者2013-06-19Physica B Condensed Matter

Low temperature heat capacity measurements of hole-doped organic conducting compound of κ-(BEDT-TTF)4Hg2.78Cl8 were performed by the ac calorimetry and the thermal relaxation technique. It was observed that low temperature electronic heat capacity at 0 T can be fitted by a kind of spin fluctuations model for two-dimen…

Magnetism in coordination complexesOrganic and Molecular Conductors ResearchN-Heterocyclic Carbenes in Organic and Inorganic Chemistry

Differences in chemical properties and reactivity patterns of mono- and dioxomanganese(V) porphyrins as revealed by density functional theory

Sam P. de Visser2013-06-19Journal of Porphyrins and Phthalocyanines

Recent experimental studies of Liu and Groves (J. Am. Chem. Soc. 2010; 132: 12847) on dioxomanganese(V) porphyrin complexes implicated substrate halogenation in good yield. Currently, little is known of this unique mechanism, therefore to gain understanding on the halogenation mechanism and the chemical features of th…

Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Bond distortion effects and electric orders in spiral multiferroic magnets

Hong-Bo Chen、Yi Zhou、You‐Quan Li2013-06-19Journal of Physics Condensed Matter

In this paper we study the bond distortion effect on the electric polarization in spiral multiferroic magnets based on cluster and chain models. The bond distortion breaks the inversion symmetry and modifies the d-p hybridization. Consequently, it will affect the electric polarization, which can be divided into the sp…

Magnetic and transport properties of perovskites and related materialsMultiferroics and related materialsAdvanced Condensed Matter Physics

Full-Scale Hot Cell Test of an Acoustic Sensor Dedicated to Measurement of the Internal Gas Pressure and Composition of a LWR Nuclear Fuel Rod

Jean-Yves Ferrandis、Eric Rosenkrantz、Gaëtan Lévêque 等 7 位作者2013-06-19IEEE Transactions on Nuclear Science

A full-scale hot cell test of the internal gas pressure and composition measurement by an acoustic sensor was carried out successfully between 2008 and 2010 on irradiated fuel rods in the LECA-STAR facility at CADARACHE Centre. The acoustic sensor has been specially designed in order to provide a non-destructive techn…

Nuclear reactor physics and engineeringNuclear Materials and PropertiesNuclear Engineering Thermal-Hydraulics

Tribological Characteristics Improvement of Wear Resistant MAO-Coatings

V. N. Malyshev、A. M. Vol’khin、B. M. Gantimirov2013-06-19Journal of Coatings

Currently, the most promising technology of coating formation is microarc oxidation (MAO) with unique properties of the surface layer, which combine high wear resistance, corrosion resistance, and heat and erosion resistance. Microarc oxidation can be used for parts and components manufacturing in various segments of…

Metal and Thin Film MechanicsMagnesium Alloys: Properties and ApplicationsAluminum Alloys Composites Properties

1‐Alkyl‐2‐{(O‐Thioalkyl)Phenylazo}Imidazole Complexes of PbII and Their Photochromic Property

Shefali Saha Halder、Suman Roy、Tapan Kumar Mondal 等 5 位作者2013-06-19Zeitschrift für anorganische und allgemeine Chemie

Abstract Pb II complexes of 1‐alkyl‐2‐{( o ‐thioalkyl)phenylazo}imidazole (SRaaiNR'), [Pb(SRaaiNR') 2 X 2 ] were characterized by spectroscopic studies. The single‐crystal X‐ray structure of [Pb(SEtaaiNEt) 2 Cl 2 ] (SEtaaiNEt = 1‐ethyl‐2‐{( o ‐thioalkyl)phenylazo}imidazole) proved imidazolyl‐N and –SEt coordination fo…

Photochemistry and Electron Transfer StudiesClick Chemistry and ApplicationsPhotochromic and Fluorescence Chemistry

Research on the preparation and sintering process of (U,Ti)O2 dispersion fuel microsphere

Hui Wang、Changgeng Yin、Jinhong Liu2013-06-19Journal of Alloys and Compounds

This paper discusses the preparation of titanium-doped UO2 microsphere by the method of sol–gel, its microstructure, pore distribution, grain sizes, and the titanium element distribution through metallographic microscope, scanning electron microscope (SEM) and energy diffraction spectrum (EDS) as well as its density w…

Nuclear reactor physics and engineeringRadioactive element chemistry and processingNuclear Materials and Properties

Comparative Theoretical Study on the Positional Preference for Functionalization of Two OH and SH Groups with (5,5) Armchair SWCNT

T. C. Dinadayalane、Jerzy Leszczyński2013-06-19The Journal of Physical Chemistry C

Covalent sidewall functionalization of (5,5) armchair single-walled carbon nanotube by OH and SH groups has been investigated using density functional theory. Two possibilities for each of 1,2- (adjacent), 1,3- (alternate), and 1,4-additions were considered. Strong intramolecular O–H···O hydrogen bond plays an importa…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Synthesis of substituted meso-tetraphenylporphyrins in mixed solvent systems

Zhicheng Sun、Yuanbin She、Meijuan Cao 等 6 位作者2013-06-19ARKIVOC

An efficient synthetic method of substituted meso-tetraphenylporphyrins with better isolated yields was proposed by using propionic acid, valeric acid and m-nitrotoluene as mixed-solvent systems. The porphyrin yields in mixed solvent systems were obviously higher than those in the single propionic acid or valeric acid…

Porphyrin and Phthalocyanine ChemistryPhotodynamic Therapy Research StudiesPhotochemistry and Electron Transfer Studies

Architectural Thermal Energy Harvesting Opportunities for Sustainable Computing

Carole-Jean Wu2013-06-19IEEE Computer Architecture Letters

Increased power dissipation in computing devices has led to a sharp rise in thermal hotspots, creating thermal runaway. To reduce the additional power requirement caused by increased temperature, current approaches apply cooling mechanisms to remove heat or apply management techniques to avoid thermal emergencies by s…

Advanced Sensor and Energy Harvesting MaterialsAdvanced Thermoelectric Materials and DevicesGreen IT and Sustainability

Superlattice structures observed in the extraordinary phase sequence and analyzed by the phenomenological Landau model and the partially molecular model

K. L. Sandhya、A. D. L. Chandani、Atsuo Fukuda 等 5 位作者2013-06-19Physical Review E

We draw several electric-field-temperature (E-T) phase diagrams with electric-field-induced birefringence contours in the nOHFBBB1M7 (n=10) and nOTBBB1M7 (n=11) (C11) mixture system by changing the C11 concentration carefully; some of the mixtures show the unusual extraordinary phase sequence where subphases with the…

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesNonlinear Optical Materials Research

Collagen functionalized with unsaturated cyclic anhydrides—interactions in solution and solid state

S. Potorac、Marcel Popa、Luc Picton 等 6 位作者2013-06-19Biopolymers

Maleic anhydride (CMA) and itaconic anhydride modified collagen (CITA) were prepared as precursors for production of interpenetrated polymer networks (IPN). Calculated values for Huggins coefficient in aqueous diluted and semi-diluted solutions of modified collagen indicated a slightly tendency of aggregation for itac…

biodegradable polymer synthesis and propertiesMarine Biology and Environmental ChemistryCollagen: Extraction and Characterization

Phase transition in porous electrodes. III. For the case of a two component electrolyte

Kenji Kiyohara、Hiroshi Shioyama、Takushi Sugino 等 7 位作者2013-06-19The Journal of Chemical Physics

The electrochemical thermodynamics of electrolytes in porous electrodes is qualitatively different from that in the bulk with planar electrodes when the pore size is comparable to the size of the electrolyte ions. In this paper, we discuss the thermodynamics of a two component electrolyte in a porous electrode by usin…

Supercapacitor Materials and FabricationConducting polymers and applicationsElectrochemical Analysis and Applications

Supramolecular Self‐Assembly of N‐Acetyl‐Capped β‐Peptides Leads to Nano‐ to Macroscale Fiber Formation

Mark P. Del Borgo、Ádám Mechler、Daouda A. K. Traoré 等 8 位作者2013-06-19Angewandte Chemie

Aus kleinen Dingen werden große: 14-Helicale N-Acetyl-β3-peptide bilden in Lösung spontan in einer einzigartigen Kopf-Schwanz-Verknüpfung Fasern. Die Fasergröße lässt sich vom Nano- bis zum Makrobereich einstellen. Die inhärente Flexibilität im Design und die einfache Synthese bieten neue leistungsfähige Möglichkeiten…

Chemical Synthesis and AnalysisSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

Arrangement of Block Copolymer Microdomains Confined inside Hemispherical Cavities

Dusik Bae、Gumhye Jeon、Hiroshi Jinnai 等 5 位作者2013-06-19Macromolecules

We investigated, via scanning and transmission electron microscopy, the arrangement of the microdomains of symmetric polystyrene- block -poly(methyl methacrylate) copolymer (PS- b -PMMA) confined in hemispherical cavities. The hemispherical cavities were prepared by using anodic aluminum oxide (AAO) template, where th…

Polymer Surface Interaction StudiesBlock Copolymer Self-AssemblyNanopore and Nanochannel Transport Studies

Characterization of Thermally Stable Brønsted Acid Sites on Alumina‐Supported Niobium Oxide after Calcination at High Temperatures

Tomoyuki Kitano、Tetsuya Shishido、Kentaro Teramura 等 4 位作者2013-06-19ChemPhysChem

Thermally stable Brønsted acid sites were generated on alumina-supported niobium oxide (Nb2O5/Al2O3) by calcination at high temperatures, such as 1123 K. The results of structural characterization by using Fourier-transform infrared (FTIR) spectroscopy, TEM, scanning transmission electron microscopy (STEM), and energy…

Semiconductor materials and devicesMesoporous Materials and CatalysisCatalysis and Hydrodesulfurization Studies