Remote p–d orbital hybridization <i>via</i> first/second-layer coordination of Fe single atoms with heteroatoms for enhanced electrochemical CO<sub>2</sub>-to-CO reduction
Ying Yang, Lizhen Chen, Zhenyan Guo, Shengqi Liu, Peidong Wu, Zhen Fang, Kai Zhang, Hu Li
Abstract
d–p orbital hybridization induced by S/N in the coordination layer of pyrrole-type Fe–N 4 can modulate the electronic structure of Fe single atoms, enabling *COOH adsorption and *CO desorption to exclusively furnish CO but suppressing H 2 formation.
Topics & Concepts
HeteroatomElectrochemistryChemistryDesorptionLayer (electronics)CrystallographyAdsorptionElectrodeRing (chemistry)Physical chemistryOrganic chemistryCO2 Reduction Techniques and CatalystsIonic liquids properties and applicationsElectrocatalysts for Energy Conversion