Abstract

Herein, we explored a new 2D heterostructure by hybridizing BN and TiB2, especially the photocatalytic activity of composite materials. Based on the key strategy of developing BN hybrid photocatalysts to change the band structure, we studied the influences of TiB2 addition on the structures and photocatalytic performances of Ti3+-B codoped TiO2/BN. The Ti3+ existed in TiBO3 enables excellent photocatalytic performances in hydrogen production and nitrogen fixation compared with pure BN. We also carried out first-principle calculations using the VASP program to explain the excellent photocatalytic hydrogen production performances. Finally, the photocatalytic mechanism of such TiO2/BN hybrid photocatalysts was proposed.

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