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This paper details the preparation of an aluminum-based organic metal complex doped with fluorine and nitrogen (2-Ml/Al–F–N). The synthesis method combines hydrothermal synthesis and calcination for modification. The catalyst was thoroughly characterized for its composition, structure, and morphology using various techniques, including XRD, FT-IR, XPS, SEM, TEM, and others. The electrochemical performance of the material was assessed using an electrochemical workstation, and gas chromatography was employed to analyze the results. DFT calculations were used to compute the material's properties and energy barrier diagram. The findings demonstrate that the catalyst exhibits a carbon nanoline morphology and showcases high catalytic activity in the CO2RR to CO. Notably, the catalyst exhibits excellent performance with a maximum current density of 14.08 mA cm−2 and a peak faradaic efficiency of 90.1% at −1.1 V vs. RHE. The active sites are predominantly located within the nanoline structure. The DFT calculations reveal that the introduction of ammonium fluoride during the synthesis process leads to the formation of a highly efficient fluorinated aluminum metal catalytic center derived from nonahydrate aluminum nitrate. This specific structure demonstrates excellent hydrogen suppression properties and effectively lowers desorption energy barriers, which enhances the CO2RR activity and promotes the electrocatalytic reduction of CO2 to CO. [ABSTRACT FROM AUTHOR]