Dielectric relaxation in zeolites: theoretical calculation of the ionic dipole re-orientational energy and comparison with TSDC data

G. Maurin, P. Senet, S. Devautour, J.C. Giuntini, F. Henn
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Abstract

An original approach based on Monte-Carlo simulations is proposed for calculating the potential barriers and the electrical polarization associated to the re-orientational motions of cations into a zeolite lattice. A comparison is made with the experimental data obtained from the Thermally Stimulated Depolarization Current technique. A very good agreement is observed, thus confirming, for the first time, that the dielectric relaxation measured in this type of material is likely to be related to ionic localized hopping.
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沸石中的介电弛豫:离子偶极重定向能的理论计算及与TSDC数据的比较
提出了一种基于蒙特卡罗模拟的方法来计算与阳离子在沸石晶格中的重定向运动相关的势垒和电极化。并与热激退极化电流技术的实验数据进行了比较。观察到一个非常好的一致性,从而首次证实,在这种类型的材料中测量的介电弛豫可能与离子局域跳变有关。
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