题 目： Molecular Understanding of the Critical Role of Solid-Liquid Interface on Electrocatalysis
报 告 人：李佳 教授 清华大学深圳国际研究生院
时 间：2024年10月18日（星期五) 9:00-12:00
地 点：理科楼 LA108
报告摘要：Electrocatalysis plays a critical role in advancing the carbon cycle and producing essential feedstocks under mild reaction conditions. To achieve practical performance, a thorough understanding of the reaction mechanisms is essential. However, the solid-liquid interface where these reactions take place remains a significant challenge to unambiguous characterization. In recent years, theoretical methods have emerged as a viable approach to unravel the complexity of the factors operating at the interface, even at the molecular level. In this talk, I will elucidate this concept with some examples, emphasizing the need to explicitly consider factors such as hydrated ions and applied potential. These considerations are essential for understanding the in situ evolution of the interface. These results provide a basic framework for designing electrochemical environments and highlight the importance of explicitly incorporating0 solvation effects and other interfacial factors in theoretical simulations.
报告人介绍：李佳，清华大学深圳国际研究生院教授。2009年于清华大学博士毕业，师从段文晖院士。主要从事计算材料学研究，在低维材料模拟与器件设计等方面作出了一系列原创性工作；发表论文130余篇，论文引用数11000余次，H因子58。目前担任中国材料研究学会计算材料学委员会委员，中国材料研究学会新材料发展战略研究院特聘研究员。
