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  • 1
    Electronic Resource
    Electronic Resource
    Response of sorption processes of MCPA to the amount and origin of organic matter in a long-term field experiment (2001)
    Oxford, UK : Blackwell Science Ltd
    European journal of soil science 52 (2001), S. 0 
    Details
    ISSN: 1365-2389
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences , Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Changes in farming practices over long times can affect the sorption behaviour of MCPA ((4-chloro-2-methylphenoxy)acetic acid). We studied the adsorption–desorption mechanisms of MCPA on soil with varied amounts and origins of soil organic matter obtained from a long-term field experiment with various organic amendments. The origin of the soil organic matter seems to be crucial for the sorption behaviour of MCPA. Samples of soil amended with sewage sludge sorbed MCPA more strongly than the soil under any other treatment. Peat-amended soil was second followed by soil receiving animal manure, green manure, mineral fertilizer without N and the fallowed soil. Both the carbon content and the origin of the organic matter are important for the sorption. A decrease of carbon content of a soil does not necessarily imply a reduction of sorption capacity for polar organic acids such as MCPA. Nevertheless, our adsorption–desorption experiments suggest that with decreasing carbon content the role of mineral sorption mechanisms could become more pronounced. Our results showed that interactions of soil organic matter and soil minerals distinctly influence adsorption properties for MCPA.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1046/j.1365-2389.2001.00382.x
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  • 2
    Electronic Resource
    Electronic Resource
    Low-frequency vibrational modes in fluorite based superionic conductors - Raman study
    Amsterdam : Elsevier
    Solid State Ionics 58 (1992), S. 237-242 
    Details
    ISSN: 0167-2738
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://linkinghub.elsevier.com/retrieve/pii/0167-2738(92)90124-8
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  • 3
    Electronic Resource
    Electronic Resource
    4-(4-Biphenyl)-2,3,5,6-tetrafluoropyridine, a new material for application in light-emitting diodes (1999)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 55 (1999), S. 693-695 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270198015169
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  • 4
    Electronic Resource
    Electronic Resource
    Ab initio 2-D periodic Hartree–Fock study of Fe-substituted lizardite 1T– a simplified cronstedtite model (2000)
    Springer
    Physics and chemistry of minerals 27 (2000), S. 741-746 
    Details
    ISSN: 1432-2021
    Keywords: Key words Ab initio ; Periodic HF ; Layer silicates ; Lizardite ; Cronstedtite
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Abstract  A 2-D periodic ab initio Hartree–Fock LCAO study was performed on Fe-substituted 1:1 sheet silicate, lizardite. The atomic orbitals were described by large-core pseudopotentials (Fe atoms) and a sp basis set (the other atoms). Calculated atomic charges and the results of bond population analysis indicate that the Fe-O bond was as ionic as the Mg-O. This hypothesis was supported by calculated density of states and electron density maps. Increasing Fe for Mg substitution changed the shape of projected density of states (PDOS) of O(p) orbitals.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s002690000107
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  • 5
    Electronic Resource
    Electronic Resource
    The structure and energetics of cryolite melts (1998)
    Springer
    Theoretical chemistry accounts 99 (1998), S. 378-383 
    Details
    ISSN: 1432-2234
    Keywords: Key words: Ionic melt ; Cryolite ; Solvation ; Density functional theory calculation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract. A method of solvation energy computation is proposed for ions and molecules in the environment of an ionic melt, based on the approximation of the ionic melt as an ideal conductor. The method is used to compute equilibrium constants of some equilibria in cryolite melt. Theoretically obtained results predict that aluminium is bound in tetrafluorocomplexes AlF4 −.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s002140050351
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  • 6
    Electronic Resource
    Electronic Resource
    Influence of copper- and iron-doping on cubic yttria-stabilized zirconia (1994)
    Springer
    Journal of materials science 29 (1994), S. 2152-2158 
    Details
    ISSN: 1573-4803
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract Cubic yttria-stabilized zirconias (YSZs) (15 mol% Y2O3) doped with 2 wt% CuO and 0.3 wt% Fe2O3, respectively, have been compared with undoped YSZ. The lattice constants were found to increase in the sequence:a YSZ 〈a YSZ/Fe 〈a YSZ/cu. Vickers microhardness of polycrystalline YSZ/Fe exceeds that of polycrystalline YSZ/Cu, whereas the hardness of the single crystalline materials YSZ/Fe and YSZ/Cu are nearly identical and consistently lower than the polycrystalline values. Raman and infrared spectra reveal a breakdown of the selection rules, i.e. these techniques probe the local, non-cubic arrangement of oxygen vacancies. The findings are discussed in terms of a substitutional versus an interstitial-doping model.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01154694
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  • 7
    Electronic Resource
    Electronic Resource
    Characterization of yttria-stabilized zirconia thin films deposited by electron beam evaporation on silicon substrates (1998)
    Springer
    Journal of materials science 33 (1998), S. 969-975 
    Details
    ISSN: 1573-4803
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract Structure, phase composition and electrical conductivity of thin yttria-stabilized zirconia (YSZ) films deposited by electron beam evaporation on a silicon (1 0 0) substrate at different temperatures i.e. room temperature (r.t.), 700 and 830°C, as well as the quality of the YSZ–Si interface have been investigated. The phase composition was verified by Raman spectroscopy and by infrared (i.r.) transmission measurements. The structure of films changed in agreement with their electrical conductivity depending on the deposition temperature. Both structure and thereby electrical conductivity were influenced by the high concentration of Y2O3 stabilizer used and by the post-deposition thermal treatment of films. The deposition temperature was also important in determining the quality of the YSZ–Si interface and hence the accessible sweep of the surface potential. The capacitance–voltage characteristics of the metal–insulator–semiconductor (MIS) structures incorporating YSZ films measured at r.t. showed hysteresis and positive shifts of the flat-band voltages. © 1998 Chapman & Hall
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1004359727737
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  • 8
    Electronic Resource
    Electronic Resource
    Electronic structure of alumina surface (1998)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 70 (1998), S. 341-350 
    Details
    ISSN: 0020-7608
    Keywords: alumina ; periodic SCF ; surface potential ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The electronic structure of the (001) and (110) α-alumina surfaces was determined by periodic Hartree-Fock method in statically relaxed geometries. Both (001) and (110) surfaces generate specific surface states into the energy gap. Significant influence of charge-transfer effect on the surface-adsorbate potential is possible in both cases studied. The inclusion of the exponential part to the standard potential forms was suggested for the description of the interaction potential in such cases.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 70: 341-350, 1998
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Modeling of interaction properties of surfaces of phyllosilicates: A theoretical forecast of adsorption isotherms of noble gases at the talc surface (1996)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 57 (1996), S. 843-849 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The electrostatic potential and the intensity of the electric field above the isolated layer of the phyllosilicate mineral talc (layer group symmetry C2/m) were computed using the semiempirical INDO/2 method. The electrostatic potential Vc and the intensity of electric field (OVERBAR)Ec, above the surface of semi-infinite crystal were obtained as the sum of the contributions of the infinite number of individual layers. The interaction energy Uint between a noble gas atom and the talc crystal was computed as (a) a pure Lennard-Jones energy ULJ and (b) the sum of ULJ and interaction energy with induced dipole moment: Uind = α|(OVERBAR)E|2, where α is the dipole polarizability of the noble gas atom. The one-particle configurational integral was calculated within the classical mechanics limit. Both the free and adsorbed gas phases were assumed to be ideal. The obtained results demonstrate that in the case of uncharged and nonpolar adsorbate and an uncharged surface the electrostatic part of the interaction energy should be included in the total interaction energy. © 1996 John Wiley & Sons, Inc.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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