报告摘要

The electronic band structure and optical property calculations help us to find new photocatalysts with visible light response in theory. However, the appropriate band gap and band alignment sometimes do not mean better light absorption properties. With the help of detailed transition dipole moment analysis, we can clearly reveal the catalytic mechanism of photocatalytic water splitting. In addition, our theoretical simulations show that the amplitude and phase of transition dipole moments play an important role in the attosecond transient absorption spectra of atomic systems and the high-order harmonic spectra of crystal systems under ultrafast intense laser irradiation.

报告人简介：陆瑞锋博士，中组部第四批国家“万人计划”青年拔尖人才入选者, 江苏省杰出青年基金项目获得者，现为南京理工大学理教授，博士生导师。2008年于中科院大连化物所获物理化学博士学位。2008-2010年在新加坡南洋理工大学和美国加州理工学院从事博士后研究。在“分子反应动力学”、“超快强激光物理”和“材料物性及应用”等研究方向上开展了较为系统的理论研究工作，获2项国家计算机软件著作权，并发表第一/通讯作者SCI论文85篇，其中Adv. in Phys.: X 综述1篇、PRL 2篇、Energy Environ. Sci. 1篇（封面论文）、Adv. Mater. 2篇、Angew. Chem. Int. Ed. 1篇，ESI高被引论文5篇，所有论文被SCI检索引用共2800多次，h因子为28。