Ligand environment engineering of nickel single atomic sites for efficient electrochemical carbon dioxide reduction reaction
Min Sung Kim, Adyasa Priyadarsini, Ju‐Hyeon Lee, Ju‐Hyeon Lee, Jin-Gyu Bae, Jeong Yeon Heo, Hyeon Jeong Lee, Shyam Kattel, Ji Hoon Lee, Ji Hoon Lee
Abstract
In situ X-ray characterization and DFT calculations reveal that Ni configuration and N-coordination modulate the binding energies of *COOH and *H intermediates, with their difference being key to predicting CO 2 RR activity on Ni single atomic sites.
Topics & Concepts
NickelCarbon dioxideReduction (mathematics)ElectrochemistryLigand (biochemistry)Electrochemical reduction of carbon dioxideMaterials scienceChemistryNanotechnologyInorganic chemistryMetallurgyCatalysisOrganic chemistryPhysical chemistryElectrodeMathematicsCarbon monoxideGeometryReceptorBiochemistryCO2 Reduction Techniques and CatalystsElectrocatalysts for Energy ConversionAdvanced battery technologies research