Theoretical insights into lanthanide rare earth single-atom catalysts for electrochemical CO<sub>2</sub> reduction
Jing Liu, Lei Sun, Yuying Sun, Jikai Sun, Yuwei Pan, Mengqian Xu, Yunjie Lang, Dong Zhai, Wei Deng, Ya‐Min Li, Li Yang
Abstract
This study comprehensively investigated the catalytic performance of lanthanide rare earth metals (REMs) anchored into Salen for CO 2 RR in terms of stability, selectivity, and activity using density functional theory (DFT).
Topics & Concepts
LanthanideRare earthElectrochemistryReduction (mathematics)CatalysisAtom (system on chip)Materials scienceChemistryInorganic chemistryPhysical chemistryComputer scienceMineralogyMathematicsGeometryElectrodeOrganic chemistryIonParallel computingCO2 Reduction Techniques and CatalystsElectrocatalysts for Energy ConversionAmmonia Synthesis and Nitrogen Reduction