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제122회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Interstitial oxygen in the Ga-based Langasite-type oxygen ion conductor: Maximum Entropy Method and Bond Valence Energy Landscape analysis

2018년 8월 30일 14시 28분 22초
MAT.P-468 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
10월 18일 (목요일) 11:00~12:30
Material Chemistry
저자 및
Minseong Kim, Bongsoo Son, Doe-hee Park, Seung-Joo Kim*
Department of Energy System, Ajou University, Korea
A langasite-type La3Ga5GeO14 has been studied primarily as a piezoelectric material. The crystal structure of La3Ga5GeO14 is very similar with the melilite, La1+xSr1-xGa3O7+x/2, which has been known to show high oxygen ion conductor. In the melilite structure, lanthanum was equivalently substituted with strontium to add oxygen in the interstitial site, leading to the high oxygen ion conductivity. In this study, we synthesized La3Ga5+xGe1-xO14+x/2 (x = 0 ~ 0.5) by solid state reaction to introduce interstitial oxygen in the lattice. The crystal structure of La3Ga5+xGe1-xO14+x/2 (x = 0 ~ 0.5) was characterized by synchrotron powder X-ray diffraction. The La3Ga5+xGe1-xO14+x/2 (x = 0 ~ 0.5) crystallize hexagonal symmetry with space group P 321. The oxygen ion conductivity was measured up to 900℃(± 5), the highest ion conductivity was 2.13×10-3S/cm(x = 0.4) and the activation energy was 1.12 eV (x = 0.4). The position of interstitial oxygen was confirmed by Maximum Entropy Method (MEM). In order to identify the possible pathways for oxygen diffusion, Bond Valence Energy Landscape (BVEL) maps were calculated.