Exposure to hypoxic Bi2MoO6 nanobelts with {001} crystal faces and face-dependent visible light driven photocatalytic activity

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This study explores the photocatalytic activity of oxygen-deficient Bi 2 MoO 6 photocatalysts with exposed {001} crystal planes, utilizing a combined approach of experiments and Density Functional Theory (DFT) to investigate enhanced catalytic performance to unravel the underlying mechanisms. The unique interlayer structure of Bi 2 MoO 6 semiconductor facilitates the construction of surface oxygen vacancies (SOVs) on the {001} crystal plane. However, its further photocatalytic applications are limited by the inherent photogenerated electron recombination and lack of active sites. In order to improve the performance of photocatalytic reactions, a systematic study was conducted on the exposure of {001} crystal faces in Bi 2 MoO 6 crystals under hypoxia induced by chloride ions (Cl - ). After 30 min of visible light irradiation, Bi 2 MoO 6-4 (with the addition of 1 mmol sodium chloride in Bi 2 MoO 6 ) sample showed good photocatalytic degradation activity towards Rhodamine B (RhB), reaching 99.24 %, which is 1.67 times higher than pure Bi 2 MoO 6 . Furthermore, the transient photocurrent value of Bi 2 MoO 6 -4 is about 1.32×10 −7 A, which is about twice that of Bi 2 MoO 6 -1. The above results can be attributed to the synergistic effect of SOVs induced by Cl - and {001} crystal planes in Bi 2 MoO 6 , while the {001} crystal surface has been proven by DFT to accelerate surface charge transfer and enhance molecular oxygen activation. This study highlights the advantages of regulating crystal faces exposure in improving photocatalytic activity and provides a promising strategy for designing other Bi based photocatalysts for environmental remediation.