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oai:figshare.com:article/34030443 2026-09-30T07:11:33Z category_1 category_12 category_19 category_24 category_873 category_734 category_811 category_132 portal_63 item_type_6 month_year_09_2026

Ferrocene-Facilitated Oxygen Vacancies and Fe Doping in BiOCl for Boosted Photocatalytic CO₂ Reduction Siyue Liu (3131190) Weiyang Chen (5119199) Jiufu Chen (25142301) Dantong Zhang (10710365) Junbo Zhong (4523374) Biophysics Cell Biology Pharmacology Evolutionary Biology Chemical Sciences not elsewhere classified Biological Sciences not elsewhere classified Mathematical Sciences not elsewhere classified Infectious Diseases stabilize defect structures provides new insights pot solvothermal method facilitated oxygen vacancies experimental results demonstrate enriched oxygen vacancies organic iron source 4 </ sub doped biocl photocatalysts boosted photocatalytic co 2 </ sub iron source work highlights unique advantages theoretical calculations synthesized via rational design production rates optimal catalyst key intermediates formation energy evolution pathway assisted preparation 16 times In this study, Fe-doped BiOCl photocatalysts with enriched oxygen vacancies (OVs) were synthesized via a one-pot solvothermal method by using ferrocene as an organic iron source. Theoretical calculations and experimental results demonstrate that the ferrocene-assisted preparation of BiOCl induces Fe doping and abundant OVs, achieving the regulation of morphology. Fe doping and OVs reduce the formation energy of BiOCl, stabilize defect structures, induce the generation of defects, promote the separation of carriers, and enhance the adsorption and activation of CO₂. Under simulated solar light irradiation, the CO and CH₄ production rates over the optimal catalyst (BOC-6) are 2.26 and 5.16 times those on the reference BiOCl, respectively. In situ diffuse reflectance Fourier transform spectroscopy (DRIFTS) reveals the evolution pathway of key intermediates during CO₂ reduction. This work highlights the unique advantages of ferrocene as an iron source and provides new insights into the rational design of high-performance BiOCl-based photocatalysts via defect engineering and doping. 2026-09-30T00:00:00Z Text Journal contribution 10.1021/acs.inorgchem.6c04470.s001 https://figshare.com/articles/journal_contribution/Ferrocene-Facilitated_Oxygen_Vacancies_and_Fe_Doping_in_BiOCl_for_Boosted_Photocatalytic_CO_sub_2_sub_Reduction/34030443 CC BY-NC 4.0