| 학회 | 한국화학공학회 |
| 학술대회 | 2017년 가을 (10/25 ~ 10/27, 대전컨벤션센터) |
| 권호 | 23권 2호, p.2040 |
| 발표분야 | 재료 |
| 제목 | A DFT Study for Phase Transition and Metallic Nanoparticle Exsolution on PaBaMn2-xTxO6 (T = Co and Fe) under Reducing Environment |
| 초록 | Double layered PrBaMn2O5+δ (L-PBMO) is known as a noble anode material for solid oxide fuel cells (SOFCs) due to its excellent redox stability as well as high tolerance of both coking and sulphur poisoning from hydrocarbon fuels. In particular, cell performance of L-PBMO was even more enhanced with Co–Fe catalyst when C3H8 and CH4 are used as a fuel. Recently, it has been reported that when the transition metals are doped into PrBaMn2O6 (S-PBMO), some of transition metals can be exsolved from bulk to the surface with the phase transition of S-PBMO to L-PBMO under reducing atmosphere. However, the detailed mechanism of this phenomena has still not been clarified. In this study, we revealed mechanism of phase transition from S-PBMO to L-PBMO, and B-site metals ex-solution on L-PrBaMn2-xTxO5+y (T= Co and Fe) under reducing environment via DFT calculations. |
| 저자 | 김경학, 한정우 |
| 소속 | 서울시립대 |
| 키워드 | 화공소재 전반 |
| VOD | VOD 보기 |
| 원문파일 | 초록 보기 |
