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  • 09월 23일 17시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제126회 대한화학회 학술발표회 및 총회 Engineering of cation stability for highly stable and active perovskite-based SOFC electrode materials

2020년 9월 10일 23시 22분 22초
ELEC1-2 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
화 13시 : 00분
Electrochemistry - Computationl Electrochemistry
저자 및
Jeong Woo Han
Department of Chemical Engineering, Pohang University of Science and Technology, Korea
Perovskite-based oxides have been widely used to electrode materials in solid oxide fuel cells (SOFCs). However, rearrangement of cations (e.g., segregation and ex-solution) affects the activity and stability of SOFC under operating conditions. Under cathodic (oxidizing) environments, the A-site cation segregation significantly degrades perovskite-based cathode materials in SOFC because segregated Sr atoms form insulating SrOx phases. On the other hand, B-site cation segregation (ex-solution) under anodic (reducing) environments increases the catalytic activity and stability of perovskite-based anode materials in SOFC because the segregated B-site cations act as catalytic sites. Interestingly, both phenomena are commonly related to the breaking of cation-oxygen bonds in oxide materials for the cation’s segregation toward the surface. Therefore, controlling of cation-oxygen bond strength is an effective way to engineer cation segregation for designing the highly stable and active electrode materials in SOFC. In this presentation, we first introduce how to understand A-site and B-site cation stability in perovskite materials at the atomic scale using density functional theory (DFT) calculations with the experimental validations. Then, we demonstrate the application of cation stability, such as iso-valent doping, to practically control cation stability in perovskite materials to improve the activity and stability of SOFC electrode materials.