| 학회 |
한국화학공학회 |
| 학술대회 |
2019년 봄 (04/24 ~ 04/26, 제주국제컨벤션센터) |
| 권호 |
25권 1호, p.1147 |
| 발표분야 |
신진연구자 심포지엄 |
| 제목 |
Lattice oxygen participation mechanism for the oxygen evolution reaction on perovskites |
| 초록 |
In this seminar, I would like to talk about the importance of considering lattice oxygen participation during the oxygen evolution reaction (OER) on ABO3 perovskites. Based on density functional theory calculations, I will discuss the electronic origin and kinetic feasibility of surface lattice oxygen participating in O2 formation via non-electrochemical pathways. I will then show that the lattice oxygen participation mechanism (LOM) can lead to higher OER activity than the conventional adsorbate evolution mechanism (AEM) by minimizing the thermodynamically required overpotential. The OER activity volcano for AEM is universal for all perovskites whereas that for LOM depends on the identity of the A cation in ABO3. This explains experimental observations that recently discovered perovskites such as Pr0.5Ba0.5CoO3-x and SrCoO3-x show higher OER activities than the conventionally predicted optimum compounds such as LaNiO3 and SrCoO3. Based on our activity volcano that considers both AEM and LOM, several new perovskite materials are predicted to be highly active for OER via LOM. |
| 저자 |
유종석 |
| 소속 |
서울시립대 |
| 키워드 |
oxygen evolution reaction; perovskite; density functional theory; lattice oxygen
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| E-Mail |
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| 원문파일 |
초록 보기 |
