调节NNU-55(Fe)的d带中心以增强 CO2 吸附和光催化活性

打开文本图片集

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）还原已成为一种有效的技术用于将CO2转化为高价值的化学品。（剩余20237字）