主讲人：焦研 副教授   阿德莱德大学                   

题   目：模拟工况条件下用于清洁能源转换电催化反应

日   期：2022年8月30日     时   间：15:30-16:30

地   点：T2407

摘   要：

There has been an ongoing effort to explore reliable, clean and sustainable fuels, to replace traditional fossil fuels. Nowadays, the large-scale production of green electricity from renewable energy resources is available, e.g. solar or wind. However, these renewable energy resources are often intermittent; therefore, the storage of green electricity is much needed. Using electrochemical methods to realize energy conversion and storage holds great promise. These electrochemical methods can help convert green electricity–produced from renewable energy resources–to chemicals and fuels; and vice versa. My past research was focused on hydrogen evolution reaction (HER), oxygen reduction reaction (ORR), CO2 reduction reaction (CRR), and recently N2 reduction reaction (NRR) and some other reactions.

For many of these energy conversion reactions, the current bottleneck still lies in catalyst material performance. An electrocatalyst with high activity and high selectivity is much needed. In the past decade, the research methodology of molecular modelling, especially when combined with experiments, has greatly accelerated the materials discovery process. Such acceleration can be attributed to (1) the in-depth understanding of the physical chemistry within electrochemical reactions that are obtained from the corroboration of experimental observation and theoretical modelling and (2) the greatly improved computational technique to model the catalyst surface and reaction intermediate in Operando. My talk will give several examples of using Operando modelling technology to reveal the potential and pH-dependent reaction mechanism, including acetone to propane hydrogenation reaction, an important model reaction that can facilitate biomass conversion.

报告人简介： 

焦研博士现为澳大利亚研究理事会未来研究员。她2012年毕业于澳大利亚昆士兰大学，获化学工程博士学位。之后加入阿德莱德大学，现任化学工程与先进材料学院副院长。曾被评为澳大利亚40位科研新星之一，获澳大利亚政策与科学研究所颁发的杰出青年科学家奖，南澳2021年度杰出女性入围奖。

她的主要研究兴趣为计算电催化，即用包含密度泛函理论和分子动力学在内的多尺度模拟来研究不同催化剂表面发生的电催化反应，并以此为基础来设计更新的催化剂。这些催化剂主要应用于清洁能源转换领域，涉及到的反应有氧还原，氢析出，二氧化碳还原，氮还原和电池材料。已发表90余篇文章，共获超两万次引用，h因子为57。自2019年以来连续三年被科睿唯安评为化学方向的高被引学者。作为第一项目完成人共获得超一百万澳元的研究经费资助。