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• F-Bi 2 MoO 6 nanosheets can be synthetized by a hydrothermal method with CTAB. • F-2D BMO shows higher photocatalytic CO 2 reduction activity than 2D BMO. • F doping makes the CB potential value more negative, which helps to generate CO. • DFT calculations further validate the relevant mechanisms. The issue of excessive CO 2 emissions has emerged as a significant global challenge. Photocatalytic technology holds great promise for controlling CO 2 emissions. In this paper, two-dimensional Bi 2 MoO 6 nanosheets were prepared by the hydrothermal method and modified by CTAB and F- doping to impart specific morphological characteristics and an energy band structure. The results showed that F-2D BMO with a doping amount of 1.5 wt% exhibited the highest photocatalytic efficiency. The CO evolution rate can be increased from 1.8 μmol/g/h to 5.6 μmol/g/h, with the CO generation selectivity increasing from 52.94 % to 87.50 %. This enhancement can be attributed to the replacement of original lattice O2– by the doped F-, which altered the lattice parameters and energy band structure of the catalyst. Consequently, the band gap was reduced and the conduction band potential became more negative, rendering it more suitable for CO production. Additionally, the improved separation rate of photogenerated carriers, reduced complexation rate, and enhanced generation and transfer of active species all contribute to the enhanced photocatalytic CO 2 reduction performance of the catalysts. Therefore, this study highlights the potential benefits and significance of using F- doped Bi 2 MoO 6 nanosheets for addressing concerns regarding CO 2 emission concerns and promoting sustainable energy solutions. [ABSTRACT FROM AUTHOR]