应澳门太阳网城官网、稀土功能材料教育部工程研究中心、甘肃省有色金属化学与资源利用重点实验室邀请，澳大利亚阿德莱德大学焦妍教授来我校交流并做学术报告，欢迎感兴趣的师生参加。

报 告 人：焦妍 教授

报告题目：Modelling of Electrocatalyst Materials for Clean Energy Conversion

报告时间：2024年1月11日（星期四）10: 30

报告地点：第二化学楼809

报告人简介：

Professor Jiao Yan is currently a future research fellow of the Australian Research Council. She graduated from the University of Queensland in Australia in 2012 with a doctorate in chemical engineering. Since then, he has joined the School of Chemical Engineering of the University of Adelaide. Her main research interest is computational electrocatalysis, that is, multi-scale simulations including density functional theory and molecular dynamics are used to study the electrocatalytic reactions on the surfaces of different catalysts, based on which newer catalysts are designed. These catalysts are mainly used in the field of clean energy conversion, involving aerobic reduction, hydrogen evolution, carbon dioxide reduction, nitrogen reduction and battery materials. More than 110 articles have been published, with more than 30,000 citations and an h factor of 66. He has been rated as a highly cited scholar in chemistry for five consecutive years since 2019.

报告简介：

The goal of achieving zero-carbon emissions by 2050 has driven the search for alternative industry solutions that can replace the traditional fossil fuel-based economy. With the technology and infrastructure in place to produce clean electricity from renewable sources such as solar or wind, the ability to generate it on a large scale is rapidly increasing. This presents a prime opportunity for the production of carbon-free fuels and chemicals through the use of electrocatalysis. This method enables the conversion of green electricity into chemicals and fuels, and vice versa, providing a path towards a sustainable future.

One of the major challenges in these electrocatalytic energy conversion reactions is the performance of the catalyst material. The need for electrocatalysts with high activity and selectivity is imperative. Molecular modelling can play a significant role in designing these materials, especially when combined with experimental techniques. By gaining an in-depth understanding of electrochemical reactions through molecular modelling, we can propose new materials for various reactions. My presentation will briefly touch on how we have done this in the past and the challenges ahead. I will also share my thoughts on 1. how computational electrocatalysis will evolve in the future and the shift towards "Operando" modelling, and 2. How machine learning might help the prediction of more efficient energy materials.