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A Mononuclear CoII Coordination Complex Locked in a Confined Space and Acting as an Electrochemical Water‐Oxidation Catalyst: A “Ship‐in‐a‐Bottle” Approach

Paulami Manna、Joyashish Debgupta、Suranjana Bose 等 4 位作者2016-01-12Angewandte Chemie

Abstract Preparing efficient and robust water oxidation catalyst (WOC) with inexpensive materials remains a crucial challenge in artificial photosynthesis and for renewable energy. Existing heterogeneous WOCs are mostly metal oxides/hydroxides immobilized on solid supports. Herein we report a newly synthesized and str…

Electrocatalysts for Energy ConversionAdvanced battery technologies researchCopper-based nanomaterials and applications

Carrier-Activated Polarization in Organometal Halide Perovskites

Linkai Li、Feng Wang、Xiaojing Wu 等 6 位作者2016-01-12The Journal of Physical Chemistry C

Organometal halide perovskite solar cells exhibit a strong polarization effect under light illumination. This unique property, although widely observed, has not been well understood. In this work, we carried out a systematic investigation on this phenomenon by varying the perovskite composition and device configuratio…

Perovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsConducting polymers and applications

Influence of Surface Wettability on Microbubble Formation

Daniel J. Wesley、Rachel M. Smith、William Zimmerman 等 4 位作者2016-01-12Langmuir

The production and utilization of microbubbles are rapidly becoming of major importance in a number of global applications, from biofuel production to medical imaging contrast agents. Many aspects of bubble formation have been studied, with diffuser characteristics (such as pore size, pore orientation) and gas flow ra…

Surface Modification and SuperhydrophobicityFluid Dynamics and MixingParticle Dynamics in Fluid Flows

CASP 11 target classification

Lisa N. Kinch、Wenlin Li、R. Dustin Schaeffer 等 7 位作者2016-01-12Proteins Structure Function and Bioinformatics

Protein target structures for the Critical Assessment of Structure Prediction round 11 (CASP11) and CASP ROLL were split into domains and classified into categories suitable for assessment of template-based modeling (TBM) and free modeling (FM) based on their evolutionary relatedness to existing structures classified…

Protein Structure and DynamicsRNA and protein synthesis mechanismsEnzyme Structure and Function

Diffraction gratings generating orders with selective states of polarization

Jeffrey A. Davis、Ignacio Moreno、Marı́a del Mar Sánchez-López 等 6 位作者2016-01-12Optics Express

We propose specially designed double anisotropic polarization diffraction gratings capable of producing a selective number of diffraction orders and with selective different states of polarization. Different polarization diffraction gratings are demonstrated, including linear polarization with horizontal, vertical and…

Liquid Crystal Research AdvancementsOrbital Angular Momentum in OpticsOptical Polarization and Ellipsometry

Hydrothermal Etching Treatment to Rutile TiO2 Nanorod Arrays for Improving the Efficiency of CdS-Sensitized TiO2 Solar Cells

Jingshu Wan、Rong Liu、Yuzhu Tong 等 8 位作者2016-01-12Nanoscale Research Letters

Highly ordered TiO2 nanorod arrays (NRAs) were directly grown on an F:SnO2 (FTO) substrate without any seed layer by hydrothermal route. For a larger surface area, the second-step hydrothermal treatment in hydrochloric acid was carried out to the as-prepared TiO2 NRAs. The results showed that the center portion of the…

TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesQuantum Dots Synthesis And Properties

Water polishing of phenol by walnut green hull as adsorbent: an insight of adsorption isotherm and kinetic

Hatam Godini、Fatemeh Hashemi、L. Mansuri 等 9 位作者2016-01-12Journal of Water Reuse and Desalination

The present paper aims to investigate water purification of phenol by walnut green hull adsorbent. The surface characteristics of the adsorbent were studied using Fourier transform infra-red (FTIR), scanning electron microscope, and X-ray diffraction (XRD) techniques. The presence of functional groups such as hydroxyl…

Adsorption and biosorption for pollutant removalPickering emulsions and particle stabilizationIsotope Analysis in Ecology

Mn5Si3 Nanoparticles: Synthesis and Size-Induced Ferromagnetism

Bhaskar Das、Balamurugan Balasubramanian、Priyanka Manchanda 等 7 位作者2016-01-12Nano Letters

Mn-based silicides are fascinating due to their exotic spin textures and unique crystal structures, but the low magnetic ordering temperatures and/or small magnetic moments of bulk alloys are major impediments to their use in practical applications. In sharp contrast to bulk Mn5Si3, which is paramagnetic at room tempe…

Magnetic properties of thin filmsMagnetic and transport properties of perovskites and related materialsIron-based superconductors research

Ion-Directed Synthesis of Indium-Derived 2,5-Thiophenedicarboxylate Metal?Organic Frameworks: Tuning Framework Dimensionality

Joseph J. Mihaly、Mat­thias Zeller、Douglas T. Genna2016-01-12Crystal Growth & Design

Abstract Template directed synthesis of metal?organic frameworks (MOFs) is of increasing interest. Herein we report the synthesis of six new MOFs synthesized from 2,5-thiophenedicarboxylic acid (TDC) and InCl3. The new frameworks are formally two- (YCM-21) and one-dimensional (YCM-22) anionic, as well as three-dimensi…

Metal-Organic Frameworks: Synthesis and ApplicationsMetal complexes synthesis and propertiesMagnetism in coordination complexes

Synergistic Resistive Switching Mechanism of Oxygen Vacancies and Metal Interstitials in Ta2O5

Linggang Zhu、Jian Zhou、Zhonglu Guo 等 4 位作者2016-01-12The Journal of Physical Chemistry C

Ta 2 O 5 is extensively studied as a data-storage material for resistance random access memory (RRAM). The resistive switching (RS) in Ta 2 O 5 -based RRAM is generally believed to be due to the diffusion of oxygen vacancy (Vo) inside the oxide, while the role of metal interstitials is paid less attention. Here, on th…

Advanced Memory and Neural ComputingElectronic and Structural Properties of OxidesFerroelectric and Negative Capacitance Devices

Insights into the Major Reaction Pathways of Vapor‐Phase Hydrodeoxygenation of m‐Cresol on a Pt/HBeta Catalyst

Qianqian Sun、Guanyi Chen、Hua Wang 等 7 位作者2016-01-12ChemCatChem

Abstract Conversion of m‐cresol was studied on a Pt/HBeta catalyst at 225–350 °C and ambient hydrogen pressure. At 250 °C, the reaction proceeds through two major reaction pathways: (1) direct deoxygenation to toluene (DDO path); (2) hydrogenation of m‐cresol to methylcyclohexanone and methylcyclohexanol on Pt, follow…

Catalytic Processes in Materials ScienceCatalysis for Biomass ConversionCatalysis and Hydrodesulfurization Studies

Modelling the evolution of composition-and stress-depth profiles in austenitic stainless steels during low-temperature nitriding

Freja Nygaard Jespersen、Jesper Henri Hattel、Marcel A.J. Somers2016-01-12Modelling and Simulation in Materials Science and Engineering

Nitriding of stainless steel causes a surface zone of expanded austenite, which improves the wear resistance of the stainless steel while preserving the stainless behaviour. During nitriding huge residual stresses are introduced in the treated zone, arising from the volume expansion that accompanies the dissolution of…

Metal and Thin Film MechanicsMicrostructure and Mechanical Properties of SteelsMetal Alloys Wear and Properties

LA-ICP-MS imaging in multicellular tumor spheroids – a novel tool in the preclinical development of metal-based anticancer drugs

Sarah Theiner、Ekaterina Schreiber‐Brynzak、Michael A. Jakupec 等 6 位作者2016-01-12Metallomics

A novel application of advanced elemental imaging offers cutting edge in vitro assays with more predictive power on the efficacy of anticancer drugs in preclinical development compared to two dimensional cell culture models. We propose LA-ICP-MS analysis of multicellular spheroids, which are increasingly being used as…

Nanoparticle-Based Drug DeliveryAnalytical chemistry methods developmentIon-surface interactions and analysis

Multiscale Study of Sodium Sulfate Soaking Durability of Low Plastic Clay Stabilized by Reactive Magnesia-Activated Ground Granulated Blast-Furnace Slag

Bowei Yu、Yan‐Jun Du、Fei Jin 等 4 位作者2016-01-12Journal of Materials in Civil Engineering

Portland cement (PC) has been used extensively in ground improvement. However, environmental effects caused by PC production and durability of PC-stabilized soils when exposed to sulfate attack are of global concern. Previous studies show that reactive magnesia-activated ground granulated blast-furnace slag (GGBS) is…

Concrete and Cement Materials ResearchInnovative concrete reinforcement materialsMagnesium Oxide Properties and Applications

Supramolecular polymer assembly in aqueous solution arising from cyclodextrin host–guest complexation

Jie Wang、Zhiqiang Qiu、Yiming Wang 等 8 位作者2016-01-12Beilstein Journal of Organic Chemistry

The employment of cyclodextrin host-guest complexation to construct supramolecular assemblies with an emphasis on polymer networks is reviewed. The main driving force for this supramolecular assembly is host-guest complexation between cyclodextrin hosts and guest groups either of which may be discrete molecular specie…

Advanced Polymer Synthesis and CharacterizationSupramolecular Chemistry and Complexesbiodegradable polymer synthesis and properties

Kinetic Model of Calcium-Silicate Hydrate Nucleation and Growth in the Presence of PCE Superplasticizers

Luca Valentini、Marco Favero、Maria Chiara Dalconi 等 6 位作者2016-01-12Crystal Growth & Design

Calcium-silicate hydrate (commonly referred to as C–S–H in cement chemistry) is the main phase and the “glue” of hydrated cement, the binding matrix of building materials such as concrete, which is an essential commodity for modern infrastructures and housing. The basic mechanisms that control cement hydration and the…

Concrete and Cement Materials ResearchCalcium Carbonate Crystallization and InhibitionClay minerals and soil interactions

Free‐Standing Membranes to Study the Optical Properties of Anodic TiO2 Nanotube Layers

Gihoon Cha、Patrik Schmuki、Marco Altomare2016-01-12Chemistry - An Asian Journal

In the present work we investigate various optical properties (such as light absorption and reflectance) of anodic TiO2 nanotube layers directly transferred as self-standing membranes onto quartz substrates. This allows investigation in a transmission geometry which provides significantly more reliable data than measu…

TiO2 Photocatalysis and Solar CellsTransition Metal Oxide NanomaterialsAnodic Oxide Films and Nanostructures

The Triplet State of 6‐thio‐2′‐deoxyguanosine: Intrinsic Properties and Reactivity Toward Molecular Oxygen

Marvin Pollum、Luis A. Ortiz‐Rodríguez、Steffen Jockusch 等 4 位作者2016-01-12Photochemistry and Photobiology

Abstract Thiopurine prodrugs are currently among the leading treatment options for leukemia, immunosuppression, and arthritis. Patients undergoing long‐term thiopurine treatment are at a higher risk of developing sunlight‐induced skin cancers than the general population. This side effect originates from the cellular m…

Porphyrin and Phthalocyanine ChemistryPhotodynamic Therapy Research StudiesPhotochemistry and Electron Transfer Studies

Simulation and Experimental on the Solvation Interaction between the GAP Matrix and Insensitive Energetic Plasticizers in Solid Propellants

Yu Zhao、Xiaohong Zhang、Wei Zhang 等 7 位作者2016-01-12The Journal of Physical Chemistry A

Multimethods of simulation and experiment have been performed to investigate the interaction between glycidyl azide polymer (GAP) matrix and insensitive energetic plasticizers N-butyl-N-(2-nitroxy-ethyl)nitramine (Bu-NENA) and bis(2,2-dinitropropyl)formal/acetal (BDNPF/A). To start with, the blending energy distributi…

Energetic Materials and CombustionThermal and Kinetic AnalysisRocket and propulsion systems research

Enhanced Performance of Inverted Polymer Solar Cells by Combining ZnO Nanoparticles and Poly[(9,9-bis(3′-(N,N-dimethylamino)propyl)-2,7-fluorene)-alt-2,7-(9,9-dioctyfluorene)] as Electron Transport Layer

Changfeng Han、Yuanyuan Cheng、Ling Chen 等 9 位作者2016-01-12ACS Applied Materials & Interfaces

A highly efficient inverted polymer solar cell (PSC) has been successfully demonstrated by using a ZnO nanoparticle (NP) and poly[(9,9-bis(3'-(N,N-dimethylamino)propyl)-2,7-fluorene)-alt-2,7-(9,9-dioctyfluorene)] (PFN) bilayer structure as an effective electron collecting layer. This ZnO/PFN bilayer structure is desig…

Organic Electronics and PhotovoltaicsPerovskite Materials and ApplicationsConducting polymers and applications