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J. Korean Ceram. Soc. > Volume 33(6); 1996 > Article
Journal of the Korean Ceramic Society 1996;33(6): 645.
NASICON 고체 전해질의 이온 전도도 계산 (III) 전도경로가 Na1$longrightarrow$mid-Na$longrightarrow$Na2인경우
최진삼, 서양곤1, 강은태
경상대학교 무기재료공학과
1경상대학교 화학공학과
Computation of Ionic Conductivity at NASICON Solid Electrolyte (III) Na1$longrightarrow$mid-Na$longrightarrow$Na2 Conduction Paths
ABSTRACT
The ionic conductivity of NASICON (Na Super Ionic Conductor) solid electrolyte was simulated by using Monte Carlo Method (MCM)based on a hopping model. We assumed that the conduction path of Na ions is Na1→mid-Na→Na2 where the mid-Na sites are shallow potential sites to induce 'a breathing-like movement' of Na ions in the NASICON framework. The minimum of charge correlation factor Fc and the maximum of appeared at nearby x=2.0 The occupancy of mid-Na site affected the depth of potential barrier and the conduc-tivity of the NASICON. At above x=0.3 ln σT vs. 1/T* plots have been shown Arrhenius behavior but in (VWfc)vs. 1/T* have been shown the Arrhenius type tendency at x=1 MCM results accorded with the experi-mental procedure. The role of mid-Na on Na+ ion conduction could be explained by an additional driving force and a breating-like movement model for motions of Na+ ions in the NASICON framework. As we couldn't clearly remarked the model which is the better it seems reasonable to conclude that these hypothesies are suitable to explain the FIC behavior at NASICON.
Key words: Monte carlo method, Na1$\longrightarrow$mid-Na$\longrightarrow$Na2 conduction path, Mid-Na, A breating-like movement model at NASICON
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