Synergetic effect of N/P/B coordinated Fe/Co on carbon support catalysts for removing odor-chemicals of cooking source

Abstract

Odor-chemicals from cooking source have cancer risk for family members and commercial kitchen workers. They are now enabling O 3 formation and beginning to enter the one of the main pollutants in life. The diffusion of odor-chemicals is due to scarce adsorbing materials in rang hoods, resulting in urgency of design and development of low-cost materials. Catalytic methods involving oxidation and incineration of odor-chemicals have been explored. Following basic research for catalysts have been focused on catalytic performance, process, activity sites, stability and storage capability. Herein, we calculated reaction process between Fe/Co-N/P/B-C catalysts and CH 4 using density functional theory method. The catalytic performance of nitrogen and phosphorus or boron dual-coordinated iron or cobalt atoms on carbon material was discussed. Total activation energy required for these catalysts was decreased relative to Pt/C. Based on the results of charge density and projected density-of-states, we found that strong Fe/Co 3d electron composition and electron transfer from N 2p/P 3p to Fe/Co 3d were highly dispersed on carbon material, activity sites formed at the surface of materials could efficiently migrate and storage CH 4 and enhance the catalytic capability and stability. The work presented herein highlights the importance of density functional theory method quantified synergetic effects on material properties and more importantly demonstrated the potential of active sites toward enhancing the storage capability and stability of materials for practical applications.