調(diào)節(jié)NNU-55(Fe)的d帶中心以增強(qiáng) CO2 吸附和光催化活性

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Abstract：Photocatalytic reduction carbon dioxide （CO2） hasemergedasaneffective technologyto transform CO2 into valuablechemicals.Metal-organicframeworks（MOFs） show great promise due to theiradjustable structures，huge specific surfaceareas，excellentcatalyticproperties，and remarkable photo responsiveness. Herein， the MOF material NNU-55（Fe） wasemployed for the photocatalytic transformation CO2 into carbon monoxide （CO）.Through electronic modulation the active metal center （Fe-N4） via inorganic anionic ligand tuning， thephotocatalytic performance NNU-55（Fe） MOFscan be easilyregulated.Notably，NO3-coordinated NNU-55（Fe）demonstrated superiorcatalytic performance compared to SO42- and Cl-coordinated catalysts，achieving a CO production 124μmol?g-1 within 3h ：Thestrongerelectron donation capacity NO3 leads to an improved electron density Fe centers， which lowers the Fe d -band center and enhances the bonding orbital occupancy in the adsorption system， thereby increasing the adsorption strength CO2 and reduction activity.This study highlights asimple strategyforaltering thecatalyticactivityand electrical structure MOFs byaltering thecoordinatedinorganicligands metalsites，eringanovelapproach todevelopingeffcientphotocatalyticmaterials.

Key Words： MOFs; Coordination structure； d -band center； CO2 adsorption; Photoreduction

摘要：光催化二氧化碳（CO2）還原已成為一種有效的技術(shù)用于將CO2轉(zhuǎn)化為高價值的化學(xué)品。（剩余20237字）