| 초록 |
The Co nanoparticle-incorporated spherical IMCOF (CoNP-s-IMCOF) exhibited lower overpotentials for the ORR and OER compared with the atomic Co-incorporated planar IMCOF (Co-p-IMCOF). Computational simulations revealed that the imidazole carbon sites of CoNP-s-IMCOF were the active sites for the ORR and OER, and its p-band center downshifted via charge transfer, facilitating the chemisorption of oxygen intermediates during the reactions. The p-band center of CoNP-s-IMCOF down-shifted through charge transfer from the CO NPs to the carbon sites, compared to pristine s-IMCOF, leading to the easy adsorption and desorption of oxygen intermediates during the reactions. This strategy based on control over 3D assembly and electronic structures for IMCOF-derived electrocatalysts can be extended to the development of a variety of effective electrocatalysts in future studies. |
