Dramatically Enhanced Visible Light Response of Monolayer ZrS2 via Non-covalent Modification by Double-Ring Tubular B20 Cluster

作者：Si, Yuan; Wu, Hong-Yu; Yang, Hao-Ming; Huang, Wei-Qing^*; Yang, Ke; Peng, Ping; Huang, Gui-Fang^*

来源：Nanoscale Research Letters, 2016, 11(1): 495.

DOI：10.1186/s11671-016-1719-8

• Electronic structure
• Enhanced visible-light response
• ZrS2/B-20 hybrid
• First-principles

The ability to strongly absorb light is central to solar energy conversion. We demonstrate here that the hybrid of monolayer ZrS2 and double-ring tubular B-20 cluster exhibits dramatically enhanced light absorption in the entire visible spectrum. The unique near-gap electronic structure and large built-in potential at the interface will lead to the robust separation of photoexcited charge carriers in the hybrid. Interestingly, some Zr and S atoms, which are catalytically inert in isolated monolayer ZrS2, turn into catalytic active sites. The dramatically enhanced absorption in the entire visible light makes the ZrS2/B-20 hybrid having great applications in photocatalysis or photodetection.

• 出版日期2016-11-10
• 单位湖南大学