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First‐Principles Calculation of Electronic, Optical, and Structural Properties of α‐Al 2 O 3

W. Y. Ching、Yong‐Nian Xu1994-02-01Journal of the American Ceramic Society

The electronic structure, the linear optical properties, and the structural properties of α‐Al 2 O 3 in the corundum structure are studied by means of first‐principles local density calculations. An indirect band gap of 6.29 eV is obtained, which is almost the same as the direct band gap of 6.31 eV at Γ. The calculate…

ZnO doping and propertiesLuminescence Properties of Advanced MaterialsElectronic and Structural Properties of Oxides

Buckyball microwave plasmas: Fragmentation and diamond-film growth

D. M. Gruen、Yali Liu、A.R. Krauss 等 4 位作者1994-02-01Journal of Applied Physics

Microwave discharges (2.45 GHz) have been generated in C60-containing Ar. The gas mixtures were produced by flowing Ar over fullerene-containing soot at a variety of temperatures. Optical spectroscopy shows that the spectrum is dominated by the d 3Πg–a 3Πu Swan bands of C2 and particularly the Δv=−2, −1, 0, +1, and +2…

Graphene research and applicationsDiamond and Carbon-based Materials ResearchFullerene Chemistry and Applications

New Series of Multifunctionalized Nickel(II)-Cyclam (Cyclam = 1,4,8,11-Tetraazacyclotetradecane) Complexes. Application to the Photoreduction of Carbon Dioxide

Eiichi Kimura、Senji Wada、Mitsuhiko Shionoya 等 4 位作者1994-02-01Inorganic Chemistry

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTNew Series of Multifunctionalized Nickel(II)-Cyclam (Cyclam = 1,4,8,11-Tetraazacyclotetradecane) Complexes. Application to the Photoreduction of Carbon DioxideEiichi Kimura, Senji Wada, Mitsuhiko Shionoya, and Yohko OkazakiCite this: Inorg. Chem. 1994, 33, 4, 770–778Publicat…

Advanced Photocatalysis TechniquesPorphyrin and Phthalocyanine ChemistryCO2 Reduction Techniques and Catalysts

Poly[(amino acid ester)phosphazenes]: Synthesis, Crystallinity, and Hydrolytic Sensitivity in Solution and the Solid State

Harry R. Allcock、Shawn R. Pucher、Angelo G. Scopelianos1994-02-01Macromolecules

ADVERTISEMENT RETURN TO ISSUEArticleNEXTPoly[(amino acid ester)phosphazenes]: Synthesis, Crystallinity, and Hydrolytic Sensitivity in Solution and the Solid StateHarry R. Allcock, Shawn R. Pucher, and Angelo G. ScopelianosCite this: Macromolecules 1994, 27, 5, 1071–1075Publication Date (Print):February 1, 1994Publicat…

Flame retardant materials and propertiesOrganophosphorus compounds synthesisThermal and Kinetic Analysis

The solid-state properties of uranium A historical perspective and review

G. H. Lander、Edward Fisher、S. D. Bader1994-02-01Advances In Physics

We review our current understanding of the mechanical, electronic and structural properties of the element uranium, with the focus on the low-temperature regime in which the α-phase is stable. We start with a historical perspective, as the need for understanding the metallurgy of uranium so that its use as a nuclear f…

Rare-earth and actinide compoundsRadioactive element chemistry and processingNuclear Materials and Properties

Oxidation Mechanisms and Kinetics of 1D‐SiC/C/SiC Composite Materials: II, Modeling

Ludovic Filipuzzi、R. Naslain1994-02-01Journal of the American Ceramic Society

A model, based on a simple axisymmettical fiber/interphase/ matrix assembly, is derived to depict the oxidation behavior of ID‐SiC/C/SiC composites within the temperature range 900–1300°C and for 10 < P O2 < 100 kPa. It takes into account (i) the changes versus time of the geometry of the annular pore resulting…

Advanced ceramic materials synthesisAluminum Alloys Composites PropertiesAdvanced materials and composites

Effect of Notch‐Root Radius on the Fracture Toughness of a Fine‐Grained Alumina

Toshihiko Nishida、Yoshikazu Hanaki、Giuseppe Pezzotti1994-02-01Journal of the American Ceramic Society

The dependence of K Ic on the notch‐root radius has been examined for a notch radius as small as a few micrometers in a dense, fine‐grained, polycrystalline alumina ceramic. The notch radius can be systematically varied by using a semimanual procedure in a special jig which polishes out rather than cuts the specimen.…

Advanced ceramic materials synthesisIntermetallics and Advanced Alloy PropertiesNuclear Materials and Properties

Chemistry and Crystal Growth

J. Hulliger1994-02-01Angewandte Chemie International Edition in English

Abstract Single‐crystal materials, along with other forms of condensed matter (ceramics, polymers, liquid crystals, etc.) are fundamental to modern technology. The basic research and production of new materials with “tailored” solid‐state physical properties therefore necessitate not only chemical synthesis but also t…

Crystallization and Solubility StudiesChemical Thermodynamics and Molecular StructureHistory and advancements in chemistry

Diblock, ABC triblock, and random methacrylic polyampholytes: synthesis by group transfer polymerization and solution behavior

Costas S. Patrickios、W. R. Hertler、Nicholas L. Abbott 等 4 位作者1994-02-01Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDiblock, ABC triblock, and random methacrylic polyampholytes: synthesis by group transfer polymerization and solution behaviorC. S. Patrickios, W. R. Hertler, N. L. Abbott, and T. A. HattonCite this: Macromolecules 1994, 27, 4, 930–937Publication Date (Print):February 1, 199…

Theoretical and Computational PhysicsPolymer Surface Interaction StudiesPickering emulsions and particle stabilization

Synthesis, spectroscopy, electrochemistry, spectroelectrochemistry, Langmuir-Blodgett film formation, and molecular orbital calculations of planar binuclear phthalocyanines

Nagao Kobayashi、Herman Lam、W. A. Nevin 等 8 位作者1994-02-01Journal of the American Chemical Society

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthesis, spectroscopy, electrochemistry, spectroelectrochemistry, Langmuir-Blodgett film formation, and molecular orbital calculations of planar binuclear phthalocyaninesNagao Kobayashi, Herman Lam, W. Andrew Nevin, Pavel Janda, Clifford C. Leznoff, Toshiki Koyama, Atsushi…

Porphyrin and Phthalocyanine Chemistry

Structure and Energetics of Alumina Surfaces Calculated from First Principles

I. Manassidis、M. J. Gillan1994-02-01Journal of the American Ceramic Society

First‐principles calculations based on density–functional theory and pseudopotentials are used to calculate the energies and relaxed structures of five low‐index surfaces of α‐alumina. Evidence for the reliability of the theoretical methods is provided by calculations of the lattice parameters and internal coordinates…

Semiconductor materials and devicesThermal Expansion and Ionic ConductivityChemical and Physical Properties of Materials

Piezospectroscopic Determination of Residual Stresses in Polycrystalline Alumina

Qing Ma、David R. Clarke1994-02-01Journal of the American Ceramic Society

The residual stresses created in polycrystalline aluminum oxide as a result of its constrained anisotropic thermal contraction are measured with the technique of piezospectroscopy using the fluorescence from trace Cr 3+ impurities. The average residual stresses in the crystallographic a and c directions are determined…

Advanced ceramic materials synthesisMechanical Behavior of CompositesFatigue and fracture mechanics

Slip and Twinning in Sapphire (α‐Al 2 O 3 )

K.P.D. Lagerlöf、A. H. Heuer、J. Castaing 等 5 位作者1994-02-01Journal of the American Ceramic Society

The plastic deformation of sapphire (α‐Al 2 O 3 ) has been studied under hydrostatic confining pressure at temperatures below the ambient pressure brittle‐to‐ductile transition temperature. Samples oriented for prism plane slip (Type I samples) were deformed via dislocation slip at temperatures as low as 200°C. Sample…

Advanced ceramic materials synthesisMicrostructure and mechanical propertiesHigh-pressure geophysics and materials

Oxidation Mechanisms and Kinetics of 1D‐SiC/C/SiC Composite Materials: I, An Experimental Approach

Ludovic Filipuzzi、Gérald Camus、R. Naslain 等 4 位作者1994-02-01Journal of the American Ceramic Society

The oxidation of unidirectional SiC/C/SiC model composites has been investigated through thermogravimetric analysis, optical/electron microscopy, and electrical measurements. The influence of temperature and carbon interphase thickness on the oxidation of the composites is discussed. The oxidation involves three pheno…

Advanced ceramic materials synthesisAluminum Alloys Composites PropertiesAdvanced materials and composites

Texaphyrins: Synthesis and Applications

Jonathan L. Sessler、Gregory Hemmi、Tarak D. Mody 等 6 位作者1994-02-01Accounts of Chemical Research

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTTexaphyrins: Synthesis and ApplicationsJonathan L. Sessler, Gregory Hemmi, Tarak D. Mody, Toshiaki Murai, Anthony Burrell, and Stuart W. YoungCite this: Acc. Chem. Res. 1994, 27, 2, 43–50Publication Date (Print):February 1, 1994Publication History Published online1 May 2002P…

Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistrySurface Chemistry and Catalysis

cAMP‐dependent protein kinase: Crystallographic insights into substrate recognition and phosphotransfer

M. D. Madhusudan、Elżbieta Anna Trafny、Nguyen‐Huu Xuong 等 7 位作者1994-02-01Protein Science

The crystal structure of ternary and binary substrate complexes of the catalytic subunit of cAMP-dependent protein kinase has been refined at 2.2 and 2.25 A resolution, respectively. The ternary complex contains ADP and a 20-residue substrate peptide, whereas the binary complex contains the phosphorylated substrate pe…

RNA and protein synthesis mechanismsEnzyme Structure and FunctionBiochemical and Molecular Research

Langmuir-Blodgett Manipulation of Size-Selected CdSe Nanocrystallites

B. O. Dabbousi、Christopher B. Murray、Michael F. Rubner 等 4 位作者1994-02-01Chemistry of Materials

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTLangmuir-Blodgett Manipulation of Size-Selected CdSe NanocrystallitesB. O. Dabbousi, C. B. Murray, M. F. Rubner, and M. G. BawendiCite this: Chem. Mater. 1994, 6, 2, 216–219Publication Date (Print):February 1, 1994Publication History Published online1 May 2002Published iniss…

Quantum Dots Synthesis And Properties

Evolutionary relationships among pyridoxal‐5′‐phosphate‐dependent enzymes

Frederick W. ALEXANDER、Erika Sandmeier、Perdeep K. Mehta 等 4 位作者1994-02-01European Journal of Biochemistry

Pyridoxal-5'-phosphate-dependent enzymes catalyze manifold reactions in the metabolism of amino acids. A comprehensive comparison of amino acid sequences has shown that most of these enzymes can be assigned to one of three different families of homologous proteins. The sequences of the enzymes of each family were alig…

Enzyme Structure and FunctionAmino Acid Enzymes and MetabolismBiochemical and Molecular Research

Principle of Maximum Physical Hardness

Ralph G. Pearson1994-02-01The Journal of Physical Chemistry

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPrinciple of Maximum Physical HardnessRalph G. PearsonCite this: J. Phys. Chem. 1994, 98, 7, 1989–1992Publication Date (Print):February 1, 1994Publication History Published online1 May 2002Published inissue 1 February 1994https://pubs.acs.org/doi/10.1021/j100058a044https://d…

Machine Learning in Materials ScienceHistory and advancements in chemistryNanotechnology research and applications

Rutile type derivatives

作者信息未提供1994-02-01Zeitschrift für Kristallographie - Crystalline Materials

Abstract Sixteen structure types derive from the aristotypic rutile, TiO 2 , structure. Seven of these are based on an ordering of cations: the CoReO 4 , MgUO 4 , AlWO 4 , CuUO 4 , trirutile, CuSb 2 O 6 and FeNb 2 O 6 types; three on an ordering of anions: the InOOH, the manganite and HgFOH types; and six more on vari…

Crystal Structures and PropertiesMicrowave Dielectric Ceramics SynthesisNuclear materials and radiation effects