報告摘要

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.

報告人簡介：陸瑞鋒博士，中組部第四批國家“萬人計劃”青年拔尖人才入選者, 江蘇省傑出青年基金項目獲得者，現為南京理工大學理教授，博士生導師。2008年于中科院大連化物所獲物理化學博士學位。2008-2010年在新加坡南洋理工大學和美國加州理工學院從事博士後研究。在“分子反應動力學”、“超快強激光物理”和“材料物性及應用”等研究方向上開展了較為系統的理論研究工作，獲2項國家計算機軟件著作權，并發表第一/通訊作者SCI論文85篇，其中Adv. in Phys.: X 綜述1篇、PRL 2篇、Energy Environ. Sci. 1篇（封面論文）、Adv. Mater. 2篇、Angew. Chem. Int. Ed. 1篇，ESI高被引論文5篇，所有論文被SCI檢索引用共2800多次，h因子為28。