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Density Functional Theory Study of H and CO Adsorption on Alkali-Promoted Mo 2 C Surfaces

Jeong Woo Han、Liwei Li、David S. Sholl2011-03-21The Journal of Physical Chemistry C

Using alkali metals as promoters is known to strongly influence the selectivity of catalytic reactions on Mo 2 C catalysts. To provide fundamental information about this observation, density functional theory calculations have been performed to study K and Rb adsorption of seven low-index α-Mo 2 C surfaces and the equ…

Catalysis and Hydrodesulfurization StudiesMXene and MAX Phase MaterialsAdvanced materials and composites

Structural water in ferrihydrite and constraints this provides on possible structure models

Wenqian Xu、Douglas B. Hausner、R. Harrington 等 6 位作者2011-03-21American Mineralogist

The dry thermal transformation of 2-line ferrihydrite to hematite was investigated using combinations of thermogravimetric (TG) and differential scanning calorimetric (DSC) analysis, along with in situ DSC and pair distribution function (PDF) analysis of X-ray total scattering data and in situ temperature controlled i…

Clay minerals and soil interactionsIron oxide chemistry and applicationsMine drainage and remediation techniques

A Family of Heterometallic Cubane‐Type Clusters with an exo ‐Fe(CO) 3 Fragment Anchored to the Cubane

K. Geetharani、Shubhankar Kumar Bose、Satyanarayan Sahoo 等 4 位作者2011-03-21Angewandte Chemie International Edition

Metal-rich metallaboranes: An exo-Fe(CO)3 moiety linked to a cubane core is the most prominent feature of complexes [(Cp*M)2(μ3-E)2B2H(μ-H){Fe(CO)2}2Fe(CO)3] (M=Mo, E=S, Se; M=Ru, E=CO; Cp*=η5-C5Me5), which are the first heterobimetallic cubane-type clusters with a boride unit (see structure).

Organometallic Complex Synthesis and CatalysisMagnetism in coordination complexesMetalloenzymes and iron-sulfur proteins

Interlaminar fracture toughness of woven fabric composite laminates with carbon nanotube/epoxy interleaf films

Ryan Sager、Patrick Klein、D. Davis 等 6 位作者2011-03-21Journal of Applied Polymer Science

Abstract The Mode I interlaminar fracture behavior of woven carbon fiber/epoxy composite laminates incorporating partially cured carbon nanotube/epoxy composite films has been investigated. Laminates with films containing carbon nanotubes (CNTs) in the as‐received state and functionalized with polyamidoamine were eval…

Carbon Nanotubes in CompositesMechanical Behavior of CompositesFiber-reinforced polymer composites

Role of ZrO2 incorporation in the suppression of negative bias illumination-induced instability in Zn–Sn–O thin film transistors

Bong Seob Yang、Myung Soo Huh、Seung Ha Oh 等 9 位作者2011-03-21Applied Physics Letters

Thin film transistors (TFTs) with In and Ga-free multicomponent Zn–Sn–Zr–O (ZTZO) channel layers were fabricated using the cosputtering approach. The incorporation of ZrO2 into the Zn–Sn–O (ZTO) films increased the contact resistance, which led to the degradation of the transport properties. In contrast, the threshold…

ZnO doping and propertiesSemiconductor materials and devicesThin-Film Transistor Technologies

Absence of vapor-liquid-solid growth during molecular beam epitaxy of self-induced InAs nanowires on Si

Simon Hertenberger、Daniel Rudolph、S. Bolte 等 9 位作者2011-03-21Applied Physics Letters

The growth mechanism of self-induced InAs nanowires (NWs) grown on Si (111) by molecular beam epitaxy was investigated by in situ reflection high energy electron diffraction and ex situ scanning and transmission electron microscopy. Abrupt morphology transition and in-plane strain relaxation revealed that InAs NWs nuc…

Advancements in Semiconductor Devices and Circuit DesignNanowire Synthesis and ApplicationsElectronic and Structural Properties of Oxides

Quantum Chemistry Studies of the Oxidative Stability of Carbonate, Sulfone and Sulfonate-Based Electrolytes Doped with BF4 -, PF6 - Anions

Oleg Borodin、T. Richard Jow2011-03-21ECS Transactions

Quantum chemistry studies of the oxidative stability of carbonate, sulfonate and sulfone-based solvents with and without BF4-, PF6- anions were performed using M05-2X Minnesota density functional and cc-pvTz basis set. Presence of BF4- and PF6- anions was found to significantly decrease oxidative stability of a number…

Electrocatalysts for Energy ConversionConducting polymers and applicationsAnalytical Chemistry and Sensors

Nimodipine (NM) tablets with high dissolution containing NM solid dispersions prepared by hot-melt extrusion

Jijun Fu、Xu Lishuang、Wang Xiaoli 等 8 位作者2011-03-21Drug Development and Industrial Pharmacy

Using a mixture of Eudragit EPO and polyvinylpyrrolidone/vinyl acetate copolymer (PVP/VA) (Kollidon VA64) as carriers, a nimodipine solid dispersion (NM-SD) was prepared by hot-melt extrusion (HME) to achieve high dissolution. The dissolution profiles in 900 mL 0.1 mol/L HCl showed that the drug release of NM-SD reach…

Drug Solubulity and Delivery SystemsAnalytical Methods in PharmaceuticalsCrystallization and Solubility Studies

Topological Arrangement of Fluorenyl-Substituted Carbazole Triads and Starbursts: Synthesis and Optoelectronic Properties

Hongyu Wang、Feng Liu、Linghai Xie 等 7 位作者2011-03-21The Journal of Physical Chemistry C

A series of fluorenyl-substituted carbazole linear triads and starbursts were synthesized by the Suzuki and Sonogashira coupling reactions. In these compounds, a fluorene unit is connected to the 1,8; 2,7; or 3,6 positions of the central carbazole ring to form linear triads or linked to the 1,3,6,8 positions to form s…

Organic Electronics and PhotovoltaicsOrganic Light-Emitting Diodes ResearchLuminescence and Fluorescent Materials

Dichotomy in the T -linear resistivity in hole-doped cuprates

N. E. Hussey、Rachel Cooper、Xiaofeng Xu 等 7 位作者2011-03-21Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences

From analysis of the in-plane resistivity ρ(ab)(T) of La(2-x)Sr(x)CuO(4), we show that normal state transport in overdoped cuprates can be delineated into two regimes in which the electrical resistivity varies approximately linearly with temperature. In the low-temperature limit, the T-linear resistivity extends over…

Physics of Superconductivity and MagnetismMagnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter Physics

Polarization Coulomb field scattering in AlGaN/AlN/GaN heterostructure field-effect transistors

Yuanjie Lv、Zhaojun Lin、Yu Zhang 等 8 位作者2011-03-21Applied Physics Letters

Using the measured capacitance-voltage curves of Ni Schottky contacts with different contact areas and the current-voltage characteristics for the circular and rectangular AlGaN/AlN/GaN heterostructure field-effect transistors (HFETs) at low drain-source voltage, we found that the polarization Coulomb field scattering…

GaN-based semiconductor devices and materialsSemiconductor materials and devicesGa2O3 and related materials

ANCA: A Family of Fluorescent Probes that Bind and Stain Amyloid Plaques in Human Tissue

Willy M. Chang、Marianna Dakanali、Christina C. Capule 等 6 位作者2011-03-21ACS Chemical Neuroscience

A new family of fluorescent markers containing an Amino Naphthalenyl-2-Cyano-Acrylate (ANCA) motif has been synthesized and evaluated for its capability to associate with aggregated β-amyloid (Aβ) peptides. These fluorescent probes contain a nitrogen donor group that is connected via a naphthalene unit to an electron…

Alzheimer's disease research and treatmentsSupramolecular Self-Assembly in MaterialsClick Chemistry and Applications

Assessing the fractions of tautomeric forms of the imidazole ring of histidine in proteins as a function of pH

Jorge A. Vila、Yelena A. Arnautova、Yury N. Vorobjev 等 4 位作者2011-03-21Proceedings of the National Academy of Sciences

A method is proposed to determine the fraction of the tautomeric forms of the imidazole ring of histidine in proteins as a function of pH, provided that the observed and chemical shifts and the protein structure, or the fraction of H(+) form, are known. This method is based on the use of quantum chemical methods to co…

Protein Structure and DynamicsRNA and protein synthesis mechanismsEnzyme Structure and Function

Measurement of valley splitting in high-symmetry Si/SiGe quantum dots

M. G. Borselli、R. S. Ross、A. A. Kiselev 等 15 位作者2011-03-21Applied Physics Letters

We have demonstrated few-electron quantum dots in Si/SiGe and InGaAs, with occupation number controllable from N=0. These display a high degree of spatial symmetry and identifiable shell structure. Magnetospectroscopy measurements show that two Si-based devices possess a singlet N=2 ground state at low magnetic field,…

Semiconductor Quantum Structures and DevicesQuantum and electron transport phenomenaSilicon Nanostructures and Photoluminescence

Self-assembled monolayers (SAMs) of carboxylic acids: an overview

Sushilkumar A. Jadhav2011-03-21Open Chemistry

Abstract The field of self-assembled monolayers (SAMs) of organic compounds on different substrates is of importance because it provides a suitable and efficient method of surface modification. The formation of robust, stable monolayers from carboxylic acids on two and three dimensional surfaces of different substrate…

Quantum Dots Synthesis And PropertiesPolymer Surface Interaction StudiesMolecular Junctions and Nanostructures

High-quality reduced graphene oxide-nanocrystalline platinum hybrid materials prepared by simultaneous co-reduction of graphene oxide and chloroplatinic acid

Yinjie Wang、Jincheng Liu、Lei Liu 等 4 位作者2011-03-21Nanoscale Research Letters

Reduced graphene oxide-nanocrystalline platinum (RGO-Pt) hybrid materials were synthesized by simultaneous co-reduction of graphene oxide (GO) and chloroplatinic acid with sodium citrate in water at 80°C, of pH 7 and 10. The resultant RGO-Pt hybrid materials were characterized using transmission electron microscopy (T…

Graphene research and applicationsElectrochemical sensors and biosensorsGraphene and Nanomaterials Applications

Effect of channel thickness on density of states in amorphous InGaZnO thin film transistor

Sang Yeol Lee、Do Hyung Kim、Eugene Chong 等 5 位作者2011-03-21Applied Physics Letters

We report on the origin of threshold voltage shift with the thickness of amorphous InGaZnO channel layer deposited by rf magnetron sputter at room temperature, using density of states extracted from multi frequency method and falling rates of activation energy, which of trends are entirely consistent each other in res…

Thin-Film Transistor TechnologiesSilicon Nanostructures and PhotoluminescenceElectrical and Thermal Properties of Materials

Superiority of Branched Side Chains in Spontaneous Nanowire Formation: Exemplified by Poly(3‐2‐methylbutylthiophene) for High‐Performance Solar Cells

Hsieh‐Chih Chen、I‐Che Wu、Jui‐Hsiang Hung 等 11 位作者2011-03-21Small

One-dimensional nanostructures containing heterojunctions by conjugated polymers, such as nanowires, are expected to greatly facilitate efficient charge transfer in bulk-heterojunction (BHJ) solar cells. Thus, a combined theoretical and experimental approach is pursued to explore spontaneous nanowire formation. A diss…

Organic Electronics and PhotovoltaicsPerovskite Materials and ApplicationsConducting polymers and applications

XPS and ToF-SIMS Study of Electrode Processes on Sn−Ni Alloy Anodes for Li-Ion Batteries

Jun‐Tao Li、Jolanta Światowska、Vincent Maurice 等 7 位作者2011-03-21The Journal of Physical Chemistry C

The characterization of electrode processes induced by lithiation/delithiation of Sn−Ni alloy films electroplated on a copper substrate is presented. Galvanostatic discharge/charge measurements were combined with X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). XPS…

Advancements in Battery MaterialsSupercapacitor Materials and FabricationExtraction and Separation Processes

Suppressed Compressibility at Large Scale in Jammed Packings of Size-Disperse Spheres

Ludovic Berthier、Pinaki Chaudhuri、Corentin Coulais 等 5 位作者2011-03-21Physical Review Letters

We analyze the large-scale structure and fluctuations of jammed packings of size-disperse spheres, produced in a granular experiment as well as numerically. While the structure factor of the packings reveals no unusual behavior for small wave vectors, the compressibility displays an anomalous linear dependence at low…

Material Dynamics and PropertiesRheology and Fluid Dynamics StudiesComposite Material Mechanics