| 학회 |
한국공업화학회 |
| 학술대회 |
2016년 가을 (10/26 ~ 10/28, 제주국제컨벤션센터(ICCJEJU)) |
| 권호 |
20권 2호 |
| 발표분야 |
신진과학자포럼 |
| 제목 |
Screening of Dopants for Proton-Conducting Perovskite: A Density Functional Theory (DFT) Study |
| 초록 |
This presentation will provide an idea to design of proton-conducting perovskite using first principles calculation. It is desirable to develop the proton-conducting ceramics that have both high chemical stability and high proton-conductivity. Chemical stability and proton conductivity of doped perovskite were examined using a wide range of dopants and these calculations identified the promising candidates. The physical descriptors discussed in this study will be useful to design proton-conducting perovskites in future. |
| 저자 |
강성구 |
| 소속 |
울산대 |
| 키워드 |
Proton-conducting perovskite; first-principles calculations
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| E-Mail |
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