- NASICON 고체 전해질의 이온 전도도 계산 (II) Na1-Na2 전도 경로에 미치는 mid-Na의 영향
- ㆍ 저자명
- 최진삼,서양곤,강은태
- ㆍ 간행물명
- 요업학회지
- ㆍ 권/호정보
- 1995년|32권 11호|pp.1292-1300 (9 pages)
- ㆍ 발행정보
- 한국세라믹학회
- ㆍ 파일정보
- 정기간행물| PDF텍스트
- ㆍ 주제분야
- 기타
The ionic conductivity of NASICON solid electrolytes was simulated by using Monte Carlo Method (MCM). There were included two conduction paths: (1) Na1-Na2 and (2) Na1-Na2 including Na2-Na2. We assumed that mid-Na ions provde an additional driving force for Na mobile ions due to the interionic repulsion between Na1 and Na2 ions. The inflection point of vacancy availability factor, V has been shown at nearby x=2, the maximum mid-Na ions. The inflection point of vacancy availability factor, V has been shown at nearby x=2, the maximum mid-Na sites are occupied. The effective jump frequency factor, V has been shown at nearby x=2, the maximum mid-Na sites are occupied. The effective jump frequency factor, W increased rapidly with the composition at low temperature, but decreased at high temperature region. On Na1-Na2 conduction path, the minimum of charge correlation factor, fc and the maximum of $sigma$T were appeared at x=2.0. this indicated that mid-Na ions affect on the high ionic conductivity behavior. At the whole range of NASICON composition, 1n $sigma$T vs. 1/T* plots have been shown Arrhenius behavior but 1n (VWFc) vs. 1/T* have been shown the Arrhenius type tendency at x=2, which mid-Na is being the maximum. The results of MCM agreed with the experimental one when the chosen saddle point value was 6$varepsilon$ : 3$varepsilon$. Here the calculated characteristic parameter of materials, K and the phase transition temperature were -4.001$ imes$103 and 178$^{circ}C$ (1/T*=1.92, 1000/T=2.22), respectively.