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First-Principle Study of the Intercalation Process in the LixV2O5 System

Xavier Rocquefelte、Florent Boucher、P. Gressier 等 4 位作者2003-04-11Chemistry of Materials

A theoretical study of the lithium intercalated Li x V 2 O 5 system has been performed using a dual approach, based on ab initio calculations and experimental data. Two main aspects have been investigated: the atomic structure of each phase and the voltage of a lithium battery with a positive electrode made of Li x V…

Gas Sensing Nanomaterials and SensorsTransition Metal Oxide NanomaterialsCatalysis and Oxidation Reactions

Polarized Infrared Study of Hybrid Langmuir−Blodgett Monolayers Containing Clay Mineral Nanoparticles

Robin H. A. Ras、Cliff T. Johnston、Elias I. Franses 等 8 位作者2003-04-11Langmuir

Hybrid clay-organic monolayers prepared using the Langmuir−Blodgett (LB) method are examined by polarized infrared attenuated total reflection spectroscopy (ATR), polarized grazing angle infrared reflection absorption spectroscopy (IRRAS), and atomic force microscopy (AFM). These spectra represent the first reported I…

Mesoporous Materials and CatalysisClay minerals and soil interactionsIron oxide chemistry and applications

A New Series of Sr(Co,Fe,Zr)O3-δ Perovskite-Type Membrane Materials for Oxygen Permeation

Li Yang、Liang Tan、Xuehong Gu 等 6 位作者2003-04-11Industrial & Engineering Chemistry Research

A new series of SrCo 0.4 Fe 0.6 - x Zr x O 3 - δ (0 ≤ x ≤ 0.2) and SrCo 0.95 - x Fe x Zr 0.05 O 3 - δ (0.1 ≤ x ≤ 0.8) oxides were synthesized by the solid-state reaction method. The incorporation of Zr and its effect on the crystal chemistry, oxygen permeation, and structural stability of SrCo 0.4 Fe 0.6 - x Zr x O 3…

Advancements in Solid Oxide Fuel CellsMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

Fluctuation effects in block copolymer melts

Oleg N. Vassiliev、M. W. Matsen2003-04-11The Journal of Chemical Physics

Fluctuation effects in symmetric diblock copolymer melts are quantitatively examined with the first direct comparison between Monte Carlo simulations and mean-field theory where both are performed on the same identical model. The simulations provide the most conclusive evidence to date that fluctuations transform the…

Material Dynamics and PropertiesTheoretical and Computational PhysicsBlock Copolymer Self-Assembly

NMR Studies of the Effect of Adsorbed Water on Polyelectrolyte Multilayer Films in the Solid State

Mark McCormick、R. N. Smith、Robert Graf 等 6 位作者2003-04-11Macromolecules

Fast-MAS 1 H NMR is used to probe the structure and dynamics of the adsorbed water and polymer components in polyelectrolyte multilayer (PEM) films and the bulk polyelectrolyte complex (PEC). The films, ranging in size from a single layer to 5 bilayers, consist of poly(diallyl dimethylammonium chloride), PDADMAC, and…

Advanced Polymer Synthesis and CharacterizationPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Active Sites and Active Oxygen Species for Photocatalytic Epoxidation of Propene by Molecular Oxygen over TiO2−SiO2Binary Oxides

Chizu Murata、Hisao Yoshida、Jun Kumagai 等 4 位作者2003-04-11The Journal of Physical Chemistry B

TiO 2 −SiO 2 binary oxides of low Ti content promoted photocatalytic epoxidation of propene by molecular oxygen. By catalytic runs and UV spectra, it was revealed that the isolated tetrahedral Ti species on the TiO 2 −SiO 2 samples are active for the photoepoxidation of propene, while the aggregated titanium oxide spe…

TiO2 Photocatalysis and Solar CellsCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Laser-Induced Growth and Deposition of Noble-Metal Nanoparticles for Surface-Enhanced Raman Scattering

Erik J. Bjerneld、Fredrik Svedberg、Mikael Käll2003-04-11Nano Letters

We describe laser-induced growth and deposition of gold and silver nanoparticles for use as surface-enhanced Raman scattering (SERS) substrates. The nanoparticles form at a glass surface in contact with an aqueous solution with metal ions and a reducing agent if the interface is illuminated with visible laser light. T…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesLaser-Ablation Synthesis of Nanoparticles

Controlling the Color of Cholesteric Liquid‐Crystalline Films by Photoirradiation of a Chiroptical Molecular Switch Used as Dopant

RA van Delden、M.B. van Gelder、Npm Huck 等 4 位作者2003-04-11Advanced Functional Materials

Abstract Using thin films of a cholesteric mixture of acrylates 2 and 3 doped with the chiroptical molecular switch ( M )‐ trans ‐ 1 , photocontrol of the reflection color between red and green is possible. This doped liquid‐crystal (LC) film can be used for photoinduced writing, color reading, and photoinduced lockin…

Supramolecular Chemistry and ComplexesPorphyrin and Phthalocyanine ChemistryPhotoreceptor and optogenetics research

Nearest-Neighbor Configuration in (GaIn)(NAs) Probed by X-Ray Absorption Spectroscopy

Vincenzo Lordi、Vincent Gambin、S. Friedrich 等 7 位作者2003-04-11Physical Review Letters

Ga(1-x)In(x)N(y)As(1-y) is a promising material system for the fabrication of inexpensive "last-mile" optoelectronic components. However, details of its atomic arrangement and the relationship to observed optical properties is not fully known. Particularly, a blueshift of emission wavelength is observed after annealin…

Advanced Chemical Physics StudiesSemiconductor Quantum Structures and DevicesMachine Learning in Materials Science

Diffusion-controlled kinetics of carbon nanotube forest growth by chemical vapor deposition

Oleg A. Louchev、Thomas Laude、Yoichiro Sato 等 4 位作者2003-04-11The Journal of Chemical Physics

A detailed theoretical study of carbon nanotube (NT) forest growth by chemical vapor deposition is given, including (i) ballistic mode of carbon species impingement into the NT surface, (ii) the carbon diffusion over NT surface and through the metal nanoparticle, and (iii) the temperature drop at the NT tip occurring…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

High‐Quality Electrochromic Polythiophenes via BF3·Et2O Electropolymerization

S. Alkan、Charlotte Cutler、John R. Reynolds2003-04-11Advanced Functional Materials

Abstract Electrochemical polymerization in the strong Lewis acid, boron trifluoride ethylether (BFEE), has been used to prepare electrochromic polythiophene (PTh) and its derivatives: poly(3‐methylthiophene) (PMeTh), poly(3‐bromothiophene) (PBrTh), and poly(3,4‐dibromothiophene) (PDBrTh). The polymerization processes…

Conducting polymers and applicationsTransition Metal Oxide NanomaterialsPolyoxometalates: Synthesis and Applications

X-ray-induced electrical conduction in the insulating phase of thiospinel CuIr2S4

Takao Furubayashi、Hiroyuki Suzuki、Takehiko Matsumoto 等 4 位作者2003-04-11arXiv

Effects of x-ray irradiation on the crystal structure and the electrical resistance were examined at low temperatures for the insulating phase of spinel compound CuIr2S4. We found that the resistance decreases by more than five decades by irradiation at 8.5 K. The structural change from triclinic to tetragonal was obs…

Materials ScienceStrongly Correlated Electrons

Direct calculation of the crystal-melt interfacial free energies for continuous potentials: Application to the Lennard-Jones system

Ruslan L. Davidchack、Brian B. Laird2003-04-11Figshare

Extending to continuous potentials a cleaving wall molecular dynamics simulation method recently developed for the hard-sphere system [Phys. Rev. Lett. 85, 4751 (2000)], we calculate the crystal–melt interfacial free energies, γ, for a Lennard-Jones system as functions of both crystal orientation and temperature. At t…

High-pressure geophysics and materialsMaterial Dynamics and PropertiesTheoretical and Computational Physics

Encapsulation of Metal (Au, Ag, Pt) Nanoparticles into the Mesoporous SBA-15 Structure

Ji Zhu、Zoltán Kónya、Víctor Puntes 等 8 位作者2003-04-11Langmuir

Mesoporous silica was synthesized in the presence of metal (Au, Pt, and Ag) nanoparticles in the 2−20 nm range. Sample characterization was performed by X-ray diffraction and electron microscopy. The metal nanoparticles in the 2−10 nm range were successfully incorporated into the ordered mesoporous SBA-15 structures;…

Catalytic Processes in Materials ScienceMesoporous Materials and CatalysisCatalysis and Oxidation Reactions

Coupled plasmon-phonon modes in a two-dimensional electron gas in the presence of Rashba effect

W. Xu、M. P. Das、L. B. Lin2003-04-11arXiv

Elementary electronic excitation is studied theoretically for a 2DEG in the presence of spin orbit (SO) interaction induced by Rashba effect. In such a system, coupled plasmon-phonon excitation can be achieved via intra- and inter-SO electronic transitions. As a result, six branches of the coupled plasmon-phonon oscil…

Materials Science

Positional disorder of Ba in the thermoelectric germanium clathrate Ba6Ge25

V. Petkov、T. Vogt2003-04-11arXiv

The local structure of Ba6Ge25 has been studied by x-ray diffraction and the atomic pair distribution function technique at 40 K and room temperature. Unambiguous evidence has been found that two out of three types of Ba atoms in Ba6Ge25 move off their positions and become locked in split sites at low temperatures.

Materials Science

Role of scattering in nanotransistors

Alexei Svizhenko、M. P. Anantram2003-04-11arXiv

We model the influence of scattering along the channel and extension regions of dual gate nanotransistor. It is found that the reduction in drain current due to scattering in the right half of the channel is comparable to the reduction in drain current due to scattering in the left half of the channel, when the channe…

Mesoscale and Nanoscale PhysicsMaterials Science

RGD‐grafted poly‐l‐lysine‐graft‐(polyethylene glycol) copolymers block non‐specific protein adsorption while promoting cell adhesion

Stephanie VandeVondele、János Vörös、Jeffrey A. Hubbell2003-04-11OpenAlex

A novel class of surface-active copolymers is described, designed to protect surfaces from nonspecific protein adsorption while still inducing specific cell attachment and spreading. A graft copolymer was synthesized, containing poly-(L-lysine) (PLL) as the backbone and substrate binding and poly(ethylene glycol) (PEG…

Polymer Surface Interaction StudiesNanofabrication and Lithography TechniquesAdvanced Biosensing Techniques and Applications

Electrochemical and XPS Studies toward the Role of Monomeric and Polymeric Sulfonate Counterions in the Synthesis, Composition, and Properties of Poly(3,4-ethylenedioxythiophene)

Gianni Zotti、Sandro Zecchin、Gilberto Schiavon 等 9 位作者2003-04-11OpenAlex

Electrochemically prepared poly(3,4-ethylenedioxythiophene) (PEDT) poly(styrenesulfonate) (PSS), produced from acidic (PSSH) and basic (PSSNa) PSS, was characterized by cyclic voltammetry CV, UV−vis spectroscopy, in situ conductivity, and XPS spectroscopy and was compared with electrochemically prepared PEDT/tosylate…

Organic Electronics and PhotovoltaicsAdvanced Battery Materials and TechnologiesConducting polymers and applications