| NASICON 고체전해질의 이온전도도 계산 (I) Mid-Na의 영향을 고려하지 않은 경우 |
| 최진삼, 서양곤1, 강은태 |
경상대학교 공과대학 무기재료공학과
1경상대학교 공과대학 화학공학과 |
| Computation of Ionic Conductivity in NASICON Solid Electrolytes (I) Conduction Paths with no Mid-Na Sites |
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| ABSTRACT |
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The ionic conductivityof NASICON solid electrolytes was simulated by using Monte Carlo Method (MCM) based on a hopping model as functions of temoperature and composition. Two conduction paths were used : jumping from Na1 to Na2 and jumping from Na1 to Na2 and jumping from Na2 to Na2. Vacancy availability factor, V was affected by composition, temperature and the conduction paths. For β"-Alumina, it was known that the minimum of charge correlation factor, fc appears at the composition, p=0.5, but there was not shown the minimum of fc for NASICON. When the NASICON composition, x, approaches 2.5, the curve of In σT vs. 1/T* was shown Arrhenius behavior and also In (VWfc) was a linear function of 1/T*. The results of simulations on the considered conduction paths didn't agree with the experimental results. Thus it will be necessary to include the another Na sites as mid-Na site on the conduction path to obtain the better results. |
| Key words:
Monte carlo method, NASICON, Conduction paths, Ionic conductivity |
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