题 目：Toward understanding and design of chemical reaction using reaction phase diagram
报告人：肖建平 研究员 中科院大连化学物理研究所
时 间：2022年4月6日（星期三) 14：30
地 点：腾讯会议 ID 347 552 338
报告摘要：It is possible to develop a quantitative description of Sabatier’s principle and construct activity volcano trend by using density functional theory calculations and energetic scaling relation. Great successes have been achieved in rational design of solid-catalysts by activity volcano plots with energetic descriptor. However, a chemical reaction can consist of complex reaction network and has many competitive reaction pathways. The reaction mechanism should be evolutional at a wide reactivity range. In this talk, I will summarize and analyze a few examples (ORR, OER, NORR, CO2RR) of the anomalous activity volcano trends in heterogeneous catalysis and electrocatalysis. In the meanwhile, I will address the method of converting the reaction topological network to pathways and reaction phase diagram, which provides a simple way of mapping evolutional pathways and anomalous activity trends. Considering more competitive pathways, the resulting anomalous activity volcano map is indeed more accurate and inclusive in evolutional mechanisms, which gives useful guidance for catalysts design.
报告人介绍：肖建平，中科院大连化学物理研究所，研究员，博导。2007年本科毕业于重庆大学，2013 年博士毕业于德国不来梅大学，先后在中科院大连化学物理研究所包信和院士团队、美国斯坦福大学 Jens Nørskov 教授团队从事博士后研究。2018 年入职西湖大学，2019 年入职中科院大连化学物理所，担任理论催化创新特区研究组组长。获国家特聘青年专家、张大煜青年学者、辽宁省拔尖青年人才、德国教育基金会 Mercator Fellow 等奖励。在Nat. Catal., Nat. Nanotech., Nat. Commun., JACS, Angew Chem Int Ed等期刊发表SCI论文90余篇。
