화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2016년 가을 (10/19 ~ 10/21, 대전컨벤션센터)
권호 22권 2호, p.2068
발표분야 열역학
제목 Proton Conduction in Perovskite Oxides: A Density Functional Theory (DFT) Approach
초록 Proton-conducting perovskites can be used for fuel cell electrolytes and tritium separation at nuclear plants. Density Functional Theory (DFT) calculations were performed to investigate the mechanisms of proton transport in perovskite oxides. Specifically, the role of native point defects were examined. This talk will provide a practical guidance for design of proton-conducting perovskites using first-principles calculation.
저자 강성구
소속 울산대
키워드 열역학
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