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Structural Transformation with “Negative Volume Expansion”: Chemical Bonding and Physical Behavior of TiGePt

Sarah Ackerbauer、Anatoliy Senyshyn、Horst Borrmann 等 16 位作者2012-03-29Chemistry - A European Journal

The synthesis and a joint experimental and theoretical study of the crystal structure and physical properties of the new ternary intermetallic compound TiGePt are presented. Upon heating, TiGePt exhibits an unusual structural phase transition with a huge volume contraction of about 10 %. The transformation is characte…

Intermetallics and Advanced Alloy PropertiesMXene and MAX Phase MaterialsHeusler alloys: electronic and magnetic properties

Effect of iron catalyst thickness on vertically aligned carbon nanotube forest straightness for CNT-MEMS

Kellen Moulton、Nicholas B Morrill、Adam Konneker 等 7 位作者2012-03-29Journal of Micromechanics and Microengineering

This paper examines the effect of iron catalyst thickness on the straightness of growth of carbon nanotubes (CNTs) for microelectromechanical systems fabricated using the CNT-templated-microfabrication (CNT-M) process. SEM images of samples grown using various iron catalyst thicknesses show that both straight sidewall…

Carbon Nanotubes in CompositesAdvanced MEMS and NEMS TechnologiesMechanical and Optical Resonators

A Special Conjugated Model around sp3 Carbon Atoms: Density Functional Theory Study on the Homoaromatic Electron Delocalization and Applications of Benzo‐Fused Tetra(triptycene)porphyrins

Dongdong Qi、Lijuan Zhang、Luyang Zhao 等 5 位作者2012-03-29ChemPhysChem

The three-unit homoaromatic electron-delocalizing nature of the benzo-fused tetra(triptycene)porphyrins (TTPs) with a three-dimensional conjugated model is clarified using density functional theory studies. Due to the electron delocalization, the unidirectional photon-induced current of this kind of TTP molecular skel…

Porphyrin and Phthalocyanine ChemistrySynthesis and Properties of Aromatic CompoundsSurface Chemistry and Catalysis

Coherent Fourier scatterometry: tool for improved sensitivity in semiconductor metrology

N. Kumar、Omar El Gawhary、S. Roy 等 7 位作者2012-03-29Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

Incoherent Optical Scatterometry (IOS) is a well-established metrology technique in the semiconductor industry to retrieve periodic grating structures with high accuracy from the signature of the diffracted optical far field. With shrinking dimensions in the lithography industry, finding possible improvements in wafer…

Optical Coatings and GratingsNear-Field Optical MicroscopySurface Roughness and Optical Measurements

A Combined Finite Element-Multiple Criteria Optimization Approach for Materials Selection of Gas Turbine Components

Ali Shanian、Abbas S. Milani、Natasha Vermaak 等 6 位作者2012-03-29Journal of Applied Mechanics

The design of critical components for aerospace applications involves a number of conflicting functional requirements: reducing fuel consumption, cost, and weight, while enhancing performance, operability and robustness. As several materials systems and concepts remain competitive, a new approach that couples finite e…

Manufacturing Process and OptimizationInjection Molding Process and PropertiesMaterial Selection and Properties

A Solid‐State Combustion Method towards Metallic Cu–ZnO Catalyst without Further Reduction and its Application to Low‐Temperature Methanol Synthesis

Lei Shi、Yisheng Tan、Noritatsu Tsubaki2012-03-29ChemCatChem

Abstract A series of Cu–ZnO catalysts were prepared by using a solid‐state combustion method with metal nitrates and citric acid. This method was simple, waste water free, and did not require a reduction step. If the precursors were burnt in an argon atmosphere, H 2 and CH 4 were emitted in the decomposition of metal…

Catalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsNanomaterials for catalytic reactions

ELECTRONIC STRUCTURE AND MAGNETIC PROPERTIES OF Co2YZ(Y = Cr, Z = Al, Ga) TYPE HEUSLER COMPOUNDS: A FIRST PRINCIPLE STUDY

P. Raics、A. Shankar、Sandeep Sandeep 等 5 位作者2012-03-29International Journal of Modern Physics B

The structural optimization was followed by the calculation of electronic structure and magnetic properties on Co 2 CrAl and Co 2 CrGa . The structure optimization was based on generalized gradient approximation (GGA). The calculation of electronic structure was based on full potential linear augmented plane wave (FPL…

ZnO doping and propertiesMagnetic and transport properties of perovskites and related materialsHeusler alloys: electronic and magnetic properties

Model and simulations of the epitaxial growth of graphene on non-planar 6H–SiC surfaces

Fan Ming、Andrew Zangwill2012-03-29Journal of Physics D Applied Physics

Abstract We study step flow growth of epitaxial graphene on 6H–SiC using a one-dimensional kinetic Monte Carlo model. The model parameters are effective energy barriers for the nucleation and propagation of graphene at the SiC steps. When the model is applied to graphene growth on vicinal surfaces, a strip width distr…

Graphene research and applicationsSilicon Carbide Semiconductor TechnologiesThermal properties of materials

PEDOT Electrochemical Polymerization Improves Electrode Fidelity and Sensitivity

Christopher M. Frost、Benjamin Wei、Ziya Baghmanli 等 5 位作者2012-03-29Plastic & Reconstructive Surgery

BACKGROUND: The goal of the authors is to restore fine motor control and sensation for high-arm amputees. They developed a regenerative peripheral nerve interface with the aim of attaining closed loop neural control by integrating directly with the amputee's residual motor and sensory peripheral nerves. PEDOT, poly(3,…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsNeuroscience and Neural Engineering

A Bimodal Oxobenzene-bridged Bisdithiazolyl Radical Conductor

Xin Yu、Aaron Mailman、Kristina Lekin 等 6 位作者2012-03-29Crystal Growth & Design

The preparation and structural characterization of the methyl-substituted oxobenzene-bridged bisdithiazolyl radical 3b is described. Crystals of 3b belong to the monoclinic space group C 2/ c and contain two distinct radical environments, A and B . There are eight A radicals in the unit cell, which occupy general posi…

Organic Light-Emitting Diodes ResearchMagnetism in coordination complexesOrganic and Molecular Conductors Research

Single‐Molecule Tracking of Fibrinogen Dynamics on Nanostructured Poly(ethylene) Films

Mark Kastantin、Thomas F. Keller、Klaus D. Jandt 等 4 位作者2012-03-29Advanced Functional Materials

Abstract Using fibrinogen (Fg) protein as a probe molecule, mapping using accumulated probe trajectories (MAPT) is performed on nanostructured melt‐drawn high‐density poly(ethylene) (HDPE) films composed of well‐oriented crystalline patches separated by amorphous regions. The spatially grouped molecular trajectories a…

Microfluidic and Capillary Electrophoresis ApplicationsPolymer Surface Interaction StudiesBlood properties and coagulation

Effects of electric parameters on microstructure and properties of MAO coating fabricated on ZK60 Mg alloy in dual electrolyte

Jing Chen、Zexin Wang、Sheng Lu2012-03-29Rare Metals

Abstract Micro‐arc oxidation (MAO) process was carried out in a dual electrolyte system of NaAlO 2 and Na3PO 4 on ZK60 Mg alloys to explore the effect of electric parameters including current density, frequency, duty cycle and oxidation time on the evolution of coatings and other characteristics. The microstructural c…

Corrosion Behavior and InhibitionMagnesium Alloys: Properties and ApplicationsAluminum Alloys Composites Properties

Generalised continuum modelling of grain size effects in polycrystals

Nicolás Cordero、Samuel Forest、Esteban P. Busso2012-03-29Comptes Rendus Mécanique

The effect of the dislocation density tensor is introduced into the classical crystal plasticity framework by means of the micromorphic theory of single crystals. A computational homogenisation strategy is presented in order to describe the global and local responses of two-dimensional polycrystalline aggregates for g…

Microstructure and mechanical propertiesComposite Material MechanicsNonlocal and gradient elasticity in micro/nano structures

Crystal Structures of the Hydration States of Pigment Red 57:1

Sándor L. Bekö、Sonja M. Hammer、Martin U. Schmidt2012-03-29Angewandte Chemie International Edition

The Red carrying the news around the world: Most newspapers and journals worldwide (including Angewandte Chemie) are printed with Pigment Red 57:1. The crystal structures of this pigment in various hydration states have now been determined by X-ray powder diffraction.

Cultural Heritage Materials AnalysisX-ray Diffraction in CrystallographyPigment Synthesis and Properties

Control over the Diameter, Length, and Structure of Carbon Nanotube Carpets Using Aluminum Ferrite and Iron Oxide Nanocrystals as Catalyst Precursors

Seung Soo Lee、Chenguang Zhang、Zuzanna A. Lewicka 等 8 位作者2012-03-29The Journal of Physical Chemistry C

Both colloidal iron oxide and aluminum ferrite nanocrystals can initiate the growth of vertically aligned carbon nanotube (CNT) carpets through water-assisted chemical vapor deposition (CVD). The outer diameters of the CNTs ranged from 3 to 18 nm, and this dimension correlated well with the diameters of the starting n…

Advancements in Battery MaterialsCarbon Nanotubes in CompositesGraphene research and applications

Electrochemical Synthesis of a Thiophene‐Containing Cyclo[9]pyrrole

Thanh‐Tuan Bui、Adriana Iordache、Zhongrui Chen 等 12 位作者2012-03-29Chemistry - A European Journal

A new member of the cyclo[n]pyrrole class of expanded porphyrins could be prepared from the corresponding thiophene-containing terpyrrole precursor through use of a mild electrochemical oxidative procedure. The isolated macrocycle, featuring nine heterocyclic subunits directly connected through their α,α'-positions, i…

Organic Electronics and PhotovoltaicsPhotosynthetic Processes and MechanismsPorphyrin and Phthalocyanine Chemistry

Mechanism of oxide layer growth during annealing of NiTi

Andreas Undisz、Frank Schrempel、W. Wesch 等 4 位作者2012-03-29Journal of Biomedical Materials Research Part A

After annealing at 540°C, NiTi is covered by a characteristic oxide layer with an Ni-containing outer and an Ni-free inner titanium oxide region. To elucidate details of the yet unclear formation process, samples were annealed in an atmosphere containing different oxygen isotopes at a time and analyzed by nondestructi…

Shape Memory Alloy TransformationsHigh Entropy Alloys StudiesTitanium Alloys Microstructure and Properties

Efficacy of highly water-dispersed fabricated nano ZnO against clinically isolated bacterial strains

Shouvik Mitra、Prasun Patra、Sourov Chandra 等 5 位作者2012-03-29Applied Nanoscience

Versatile use of zinc oxide nanoparticles (ZNPs) in semiconductors, optical device and solar cells has already been established. Herein we describe synthesis of surface-functionalized ZNP to highly water dispersible constituent and its antibacterial efficiency against clinically isolated bacterial system. ZNP was synt…

Nanoparticles: synthesis and applicationsAdvanced Nanomaterials in CatalysisAntimicrobial agents and applications

Amphiphilic Folded Dendrimer Discs and Their Thermosensitive Self‐Assembly in Water

Tamer El Malah、Simone Rolf、Steffen M. Weidner 等 5 位作者2012-03-29Chemistry - A European Journal

Folded dendrimers with peripheral ether side chains show a thermally induced hierarchical aggregation process, in which the transition temperature and the dimensions of the aggregates can readily be tuned via the generation number (see figure).

Advanced Polymer Synthesis and CharacterizationPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Isolation and characterization of betel nut leaf fiber: Its potential application in making composites

G. M. Arifuzzaman Khan、S.R. Shahrear Palash、Md. Shamsul Alam 等 6 位作者2012-03-29Polymer Composites

Abstract Betel nut leaf fiber (BNLF) is a new finding as cellulosic filler for polymer composites. Its main constituents are 75% α‐cellulose, 12% hemicelluloses, 10% lignin, and 3% others matter, viscosity average molecular weight 132,000 and degree of crystallinity 70%. In the present work, BNLF reinforced polypropyl…

Natural Fiber Reinforced Composites