讲座题目：Rational Catalyst Design for CO2 Electrochemical Reduction Reaction
讲座时间：2025年5月22日（周四）15：30
讲座地点：哈尔滨理工大学南区5号楼212会议室
主讲人：王子运 博士
讲座内容：Electrochemical CO2 reduction (CO2RR) offers a promising route for converting CO2 into valuable chemicals and fuels using renewable electricity. However, significant challenges remain in terms of product selectivity, energy efficiency, and long-term stability, particularly when using industrially-relevant CO2 sources. This talk will present recent advancements in CO2RR, drawing from several cutting-edge studies that address these challenges from multiple angles.
In this talk, we will first introduce a general computational framework for catalyst design. Then, we will use density functional theory (DFT) calculations to understand the reaction pathways of CO2RR to multiple products. The reaction barriers and enthalpy changes are calculated for the elementary steps considered in all the pathways on Cu(100). We will then introduce the selectivity determinants based on microkinetic modelling. Furthermore, we will discuss novel catalyst designs, including cationic-group-functionalized copper catalysts that enable stable acidic CO2 electrolysis with high selectivity towards multi-carbon products. The role of the catalyst-electrolyte interface in promoting CO2 activation while suppressing competing reactions will be examined. We'll also explore system-level innovations, such as proton-exchange membrane electrolysers that achieve durable CO2 conversion to formic acid using recycled lead catalysts. Furthermore, we’ll address the critical issue of catalyst poisoning by trace impurities in industrial CO2 streams, presenting strategies to improve SO2 tolerance through rational catalyst and electrode design. The talk will highlight how these advances, combining computational chemistry and experiments, collectively push the boundaries of CO2RR performance.
主讲人简介：王子运，博士生导师，奥克兰大学化学学院Senior Lecturer Above the Bar教师。本科毕业于华东理工大学，在英国贝尔法斯特女王大学获得博士学位（师从胡培君院士），随后在斯坦福大学Jens Nørskov院士课题组和多伦多大学Edward Sargent院士课题组开展博士后研究。2021年，他以终身教职加入奥克兰大学化学学院，研究工作聚焦于计算化学与机器学习方法的开发及其在二氧化碳电化学还原中的应用，已发表经同行评审的学术论文138篇，论文引用达15,000余次，入选科睿唯安高被引科学家。近五年通讯作者文章包括：1篇Nature，1篇Science，2篇Nature Energy，2篇Nature Catalysis，1篇Nature Chemistry，6篇Nature Communications，3篇JACS，8篇Angew Chem。
材料科学与化学工程学院、科技处
2025年5月19日