学 术 报 告
Lattice Oxygen Stability as a Descriptor for Designing Stable OER Catalyst in Acid
李爱龙 博士
日本理化学研究所
时间：2023年01月11日（三），09:30-11:00
地点：交流中心第一、二、三会议室
报告摘要：
To rationally design a catalyst, we need to understand which intrinsic structural characteristics, or descriptors, control catalysis. This is a more effective way to develop catalysts rather than a trial-and-error approach. Activity of an electrolysis catalyst has been found linked to descriptors such as eg electrons (the number of occupied d orbital states of a specific symmetry) (J. Suntivich et al., Science, 2011.). Usually, a highly active catalyst was predicted to be at an eg occupancy close to unity. However, as for now, there is no universal descriptor for stable catalysts. In this scenario, one can only rely on the available thermodynamic data summarized in Pourbaix diagrams back in 1945 (M. Pourbaix, NACE International, 1974.). However, the Pourbaix diagram is not applicable to the actual catalytic conditions because the assumption of steady equilibrium is implicit in the Pourbaix diagram. This is clearly not the case in the real catalytic reaction, where the catalyst itself dynamically changes during the reactions. Thus, stability descriptors are highly desired to progress the advanced catalyst design. To achieve this, we will combine catalysis research to obtain the stability performance, material structure analysis with synchrotron technology, and thermodynamic analysis with DFT/ML scientist. After that, it would make possible to identify descriptors (such as, bond length, oxygen stability, and electronic states) which shows strong correlations with the catalytic stability. From these efforts, it is expected to yield high quality scientific results which will reach a wide readership in the relevant field of catalytic science, material science and industrial applications. Here, I will show our successful collaborations toward finding the descriptors for designing stable OER catalyst in Acid (Angew, 2019; Nature Catalysis, 2022; Nature, submitted; etc.).
报告人简介：
李爱龙博士于2012-2019年在大连化学物理研究所攻读博士学位，从事分解水制氢相关工作；在博士期间获DICP-RIKEN国际项目资助，于2017年赴日本留学，任国际项目助理研究员。2019年回国参加博士答辩，获物理化学博士学位。2019年至今，依托日本理化学研究所（RIKEN）从事博士后/Research Scientist研究，担任新能源产业技术综合开发机构(NEDO)项目特别研究员，参与“氢能源系统技术研究开发”综合项目，开展“水电解制氢技术的基础研究与开发/使用非贵金属催化剂的固体聚合物水电解(PEM)技术的研究与开发以及应对波动电源的稳定性分析”的研究与开发工作。此外，独立主持日本学术振兴会(JSPS)等基金项目2项、SPring8大型同步辐射光源项目10项。在国际刊物Nature Catalysis、Angew. Chem. Int. Ed.、Chemical Science等发表学术论文20余篇；发明了γ-MnO2，Co2MnO4等耐酸非贵金属水氧化电催化剂；发现并提出了“电催化水氧化稳定电压窗口”概念；耐酸非贵金属/低贵金属催化剂和阳极材料受到学术和产业界的广泛关注。
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