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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 1405-1408 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We apply a Monte Carlo technique specialized for the simulation of rare events to study the activated counterions motions in the aluminosilicate Na+-mordenite. Mean activation barriers are obtained from minimum energy paths calculated on realistic potential energy surfaces by using a Metropolis algorithm. Energy barriers for Na+ hops calculated for lattices with various Si/Al ratio are found in good agreement with the Na+ detrapping energies measured by thermally stimulated current spectroscopy. One shows that the dielectric activated motions of Na+ proceed between degenerated many-body ground states with different dipolar moment by either sequential or collective hopping motions. This provides a first microscopic description of dielectric relaxation measured in zeolites. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 4498-4500 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The evolution of the activation energy of the conductivity depends on the nature of the exchanged cations, and differs in faujasites X and Y. This surprising phenomenon, reported in many works, is not yet satisfactorily explained. A qualitative explanation is proposed based on well-known results obtained in the study of the interactions between chemical species, by means of density functional theory. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 1862-0760
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The surface properties of a sodic exchanged mordenite has been studied by means of dielectric measurements. The imaginary part of the permittivity is correctly explained by using a model based on the existence of a distribution function of the interaction energies between sodium ions and the zeolitic lattice. Taking into account the sites involved in the mordenite, four elementary distribution functions have been used. The obtained global distribution function has been compared with that resulting from the application of an “ill-posed and inverse method”. A satisfactory coherence is observed between both approaches.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 82 (1997), S. 5057-5062 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We propose a new method for analyzing the experimental results obtained from thermally stimulated depolarization current experiments on ionic conductors. This method is based on a model developed to explain polarization in these materials. The fundamental assumptions about the elementary mechanisms responsible for polarization is assumed to be due to the "free" volume created by thermal fluctuations occurring in solids near the equilibrium state. The consequence of these fluctuations is a statistical distribution of the relaxation times or energies, which can be evidenced by the thermal windowing technique, and then analyzed by relaxation map analysis. Applied to two typical ionic compounds, the method described in this work allows us to determine more realistic values of energy and τ0, corresponding to the measured relaxation times. © 1997 American Institute of Physics.
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