报告题目：Computational design of catalysts for clean energy conversion and storage

报告人： 高国平 博士

邀请人：赵明文 教授

报告时间：2018.12.24 下午2:30-3:30

报告地点：离子束报告厅

报告内容：

Energy supply and environmental degradation are two of the biggest challenges we are currently confront. To mitigate these energy supply and environmental challenges, converting of sunlight into fuels through renewable energy conversion and storage technologies, such as water splitting, fuel cell, metal-air battery and CO₂ reduction, are considered promising solutions. Efficient photo/electrocatalysts play a crucial role in these energy conversion and storage technologies as they boost the kinetics and selectivity of the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), oxygen reduction reaction (ORR) and CO₂ reduction, but these catalysts are dominated by scarce noble metals. Intensive research efforts have recently focused on reducing this noble metal loading or even replacing them with earth-abundant catalysts. Any technical breakthrough in this area would be advantageous for solving future energy and environmental problems. Our work investigates the relationships among atomic/electronic structure and catalytic performance and designing novel catalysts for clean energy conversion and storage, including HER, OER, ORR, CO₂ reduction and gas adsorption and separation based on first-principles calculations.