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Photoabsorption of dioxasilyrane and silanone groups at the surface of silica

Krishnan Raghavachari、Gianfranco Pacchioni2001-03-08The Journal of Chemical Physics

The lowest singlet→singlet and singlet→triplet transitions of two point defects observed at the surface of amorphous silica, the dioxasilyrane group, =Si(O2), and the silanone group, =Si=O, have been computed by means of first-principles quantum chemical techniques using cluster models of various sizes. The lowest all…

Luminescence Properties of Advanced MaterialsSemiconductor materials and devicesGlass properties and applications

Synthesis and specific biodegradation of novel polyesteramides containing amino acid residues

Yujiang Fan、Masami Kobayashi、Hideo Kise2001-03-08Journal of Polymer Science Part A Polymer Chemistry

Abstract Novel polyesteramides were synthesized from p ‐nitrophenyl esters of sebacic or adipic acids and diamines containing α‐amino acid ester groups. The optimal polymerization condition was 60 °C in N,N ‐dimethylformamide. The structures of these polymers were confirmed by IR and NMR. The number‐average molecular…

biodegradable polymer synthesis and propertiesMicroplastics and Plastic PollutionRecycling and Waste Management Techniques

Expandable graphite systems for halogen‐free flame‐retarding of polyolefins. II. Structures of intumescent char and flame‐retardant mechanism

Rongcai Xie、Baojun Qu2001-03-08Journal of Applied Polymer Science

Abstract The structures of the intumescent charred layers formed from polyolefin (PO) blends with expandable graphite (EG) and/or the other free‐halogen flame retardant (HFFR) and their flame‐retardant mechanism were studied by Fourier transform infrared (FTIR) spectroscopy, X‐ray photoelectron spectroscopy (XPS), las…

Energetic Materials and CombustionFlame retardant materials and propertiesThermal and Kinetic Analysis

Surface Chemical Structure and Cell Adhesion onto Ion Beam Modified Polysiloxane

Cristina Satriano、Enrico Conte、Giovanni Marletta2001-03-08Langmuir

The modification of the adhesion and spreading of BHK21 fibroblast cells has been studied for new biocompatible surfaces obtained by irradiating polyhydroxymethylsiloxane thin films with increasing doses of 5 keV Ar + ion beams. The irradiated surfaces showed a dose-dependent increase of cytocompatibility, with an obs…

Bone Tissue Engineering MaterialsElectrospun Nanofibers in Biomedical ApplicationsPolymer Nanocomposite Synthesis and Irradiation

Effects of nitrolignin on mechanical properties of polyurethane–nitrolignin films

Lina Zhang、Jin Huang2001-03-08Journal of Applied Polymer Science

Abstract Polyurethane‐nitrolignin (PUNL), a new network polymer, was synthesized from a castor oil based–polyurethane (PU) prepolymer and nitrolignin (NL) with a weight‐average molecular weight of 20.6 × 10 4 and a content of 1.4–10%. The structure and miscibility of PUNL films prepared by solution casting were invest…

Polymer Nanocomposites and PropertiesPolymer composites and self-healingTribology and Wear Analysis

An evaluation of the density functional approach in the zero order regular approximation for relativistic effects: Magnetic interactions in small metal compounds

Paola Belanzoni、Erik van Lenthe、Evert Jan Baerends2001-03-08The Journal of Chemical Physics

The performance of the density functional approach in the relativistic zero order regular approximation for the evaluation of electron spin resonance (ESR) parameters in small metal compounds has been evaluated critically by comparison with experimental data and available theoretical results for 22 linear molecules, c…

Advanced Chemical Physics StudiesMagnetism in coordination complexesElectron Spin Resonance Studies

Effects of induced steric hindrance on the dielectric behavior and H bonding in the supercooled liquid and vitreous alcohol

G. P. Johari、O. E. Kalinovskaya、J. K. Vij2001-03-08The Journal of Chemical Physics

The extent of H bonding in alcohols may be reduced by sterically hindering its OH group. This technique is used here for investigating the reasons for the prominent Debye-type dielectric relaxation observed in monohydroxy alcohols [Kudlik et al., Europhys. Lett. 40, 549 (1997); Hansen et al., J. Chem. Phys. 107, 1086…

Material Dynamics and PropertiesThermodynamic properties of mixturesPhotochemistry and Electron Transfer Studies

Study on ultrasonic induced encapsulating emulsion polymerization in the presence of nanoparticles

Hesheng Xia、Chuhong Zhang、Qi Wang2001-03-08Journal of Applied Polymer Science

Abstract In this paper, the ultrasonic induced encapsulating emulsion polymerization technique was used to prepare polymer/inorganic nanoparticle composites. The main affecting factors in ultrasonic induced encapsulating emulsion polymerization were studied systematically. The experimental results suggested that the p…

Ultrasound and Hyperthermia ApplicationsInnovative Microfluidic and Catalytic Techniques InnovationUltrasound and Cavitation Phenomena

Time-resolved atomic force microscopy imaging studies of asymmetric PS-b-PMMA ultrathin films: Dislocation and disclination transformations, defect mobility, and evolution of nanoscale morphology

Jong‐in Hahm、S. J. Sibener2001-03-08The Journal of Chemical Physics

Time-sequenced atomic force microscopy (AFM) studies of ultrathin films of cylinder-forming polystyrene-block-polymethylmethacrylate (PS-b-PMMA) copolymer are presented which delineate thin film mobility kinetics and the morphological changes which occur in microphase-separated films as a function of annealing tempera…

Force Microscopy Techniques and ApplicationsRheology and Fluid Dynamics StudiesBlock Copolymer Self-Assembly

The CO oxidation kinetics on supported Pd model catalysts: A molecular beam/in situ time-resolved infrared reflection absorption spectroscopy study

Jörg Libuda、I. Meusel、Jens Hoffmann 等 7 位作者2001-03-08The Journal of Chemical Physics

Combining molecular beam techniques and time-resolved infrared reflection absorption spectroscopy (TR-IRAS) we have studied the kinetics of the CO oxidation reaction on an alumina-supported Pd model catalyst. The Pd particles are deposited by metal evaporation under ultrahigh vacuum (UHV) conditions onto a well-ordere…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Expandable graphite systems for halogen‐free flame‐retarding of polyolefins. I. Flammability characterization and synergistic effect

Rongcai Xie、Baojun Qu2001-03-08Journal of Applied Polymer Science

Abstract The use of some types of expandable graphite (EG) as an intumescent flame‐retardant additive in polyolefins was studied using the cone calorimeter test (CCT), thermogravimetric analysis (TGA), the limiting oxygen index (LOI), and the‐UL 94 test and through measurement of EG's mechanical and electrical propert…

Fire dynamics and safety researchFlame retardant materials and propertiesSynthesis and properties of polymers

Rheological behavior of controlled‐rheology polypropylenes obtained by peroxide‐promoted degradation during extrusion: Comparison between homopolymer and copolymer

Françoise Berzin、Bruno Vergnes、L. Delamare2001-03-08Journal of Applied Polymer Science

Abstract In the present work, experimental studies of the free‐radical‐initiated molecular weight degradation of polypropylene in a modular self‐wiping corotating twin‐screw extruder are investigated. The control of the molecular weight distribution of polypropylene resins by peroxide degradation is widely used in the…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesRheology and Fluid Dynamics Studies

Assembly of Alternating Polycation and DNA Multilayer Films by Electrostatic Layer-by-Layer Adsorption

Renjun Pei、Xiaoqiang Cui、Xiurong Yang 等 4 位作者2001-03-08Biomacromolecules

The assembly of alternating DNA and positively charged poly(dimethyldiallylammonium chloride) (PDDA) multilayer films by electrostatic layer-by-layer adsorption has been studied. The real-time surface plasmon resonance (BIAcore) technique was used to characterize and monitor the formation of multilayer films in soluti…

Polymer Surface Interaction StudiesMolecular Junctions and NanostructuresNanofabrication and Lithography Techniques

Supramolecular Chirogenesis in Zinc Porphyrins: Mechanism, Role of Guest Structure, and Application for the Absolute Configuration Determination

Victor Borovkov、Juha M. Lintuluoto、Yoshihisa Inoue2001-03-08Journal of the American Chemical Society

The achiral syn folded (face-to-face conformation) host molecule of the ethane-bridged bis(zinc porphyrin) transforms into the corresponding chiral extended anti bis-ligated species in the presence of enantiopure amine guests. The mechanism of the supramolecular chirogenesis is based upon the screw formation in bis(zi…

Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistrySynthesis and Properties of Aromatic Compounds

Origin of the high DC transport critical current density for the MgB2 superconductor

Kijoon H. P. Kim、W. N. Kang、Mun-Seog Kim 等 8 位作者2001-03-08arXiv

If the critical current density Jc is very high for a superconductor, then estimating its value from transport measurements is not very easy. In such cases, the value of Jc, called Jcm for magnetic Jc, is usually obtained from the measured magnetic hysteresis loop measurements by using a proper critical state model su…

Materials ScienceSuperconductivity

Electronic structure and magnetism in slightly doped SrB_6

T. Jarlborg2001-03-08arXiv

Spin-polarized band calculations for supercells of SrB$_{6}$, where a La-, In- or Al- impurity or a vacancy is replacing one Sr, are performed within the local spin density approximation. Moderately large cells with 8 formula units (56 atoms) are studied for all dopings and large ones with 27 formula units (189 atoms)…

Materials Science

Localization corrections to the anomalous Hall effect in a ferromagnet

V. K. Dugaev、A. Crepieux、P. Bruno2001-03-08arXiv

We calculate the localization corrections to the anomalous Hall conductivity related to the contribution of spin-orbit scattering into the current vertex (side-jump mechanism). We show that in contrast to the ordinary Hall effect, there exists a nonvanishing localization correction to the anomalous Hall resistivity. T…

Materials Science

New criteria for bosonic behavior of excitons

Monique Combescot、Christian Tanguy2001-03-08arXiv

Dimensional arguments lead to say that $N$ excitons in a sample of volume $V$ behave as bosons for $λN a_x^3/V \ll 1$, $a_x$ being the exciton radius and $λ$ a dimensionless factor. The Mott criterion, which is based on the disappearance of all exciton bound states because of screening, gives $λ\simeq 1$. Since excito…

Materials Science

Carbon substitution effect in MgB$_2$

Jai Seok Ahn、Eun Jip Choi2001-03-08arXiv

We investigated carbon substitution effect on boron plane of superconducting MgB$_2$. MgB$_2$ and MgB$_{1.8}$C$_{0.2}$ samples are synthesized under high pressure furnace. MgB$_{1.8}$C$_{0.2}$ are characterized as AlB$_2$-type single phase with smaller B-B distance. During the superconducting transition, two distinct…

Materials ScienceSuperconductivity

A study on nanofiber‐reinforced thermoplastic composites (II): Investigation of the mixing rheology and conduction properties

Karen Lozano、Jaime Bonilla‐Ríos、Enrique V. Barrera2001-03-08OpenAlex

Abstract This article is portion of a comprehensive study on the development of nanofiber‐reinforced polymer composites for electrostatic discharge materials and structural composites. Vapor‐grown carbon fibers with an average diameter of 100 nm were used as a precursor and model fiber system for carbon nanotubes. The…

Carbon Nanotubes in CompositesAdvanced Sensor and Energy Harvesting MaterialsDielectric materials and actuators