p–d Orbital coupling in silicon-based dual-atom catalysts for enhanced CO<sub>2</sub> reduction: insight into electron regulation of active center and coordination atoms
Meijie Wang, Yaowei Xiang, Yuxing Lin, Yang Sun, Zi‐Zhong Zhu, Shunqing Wu, Xinrui Cao
Abstract
The CO 2 RR performance of Si-based DACs was studied, identifying several DACs with enhanced activity for CO 2 conversion. The Si atom's p z band, influenced by d-electrons, TM atom radius, and coordination, is the key descriptor for catalytic activity.
Topics & Concepts
Dual (grammatical number)Atom (system on chip)Reduction (mathematics)Coupling (piping)Center (category theory)SiliconCatalysisElectronAtomic physicsAtomic orbitalMaterials scienceChemistryPhysicsCrystallographyOptoelectronicsEngineeringMetallurgyNuclear physicsEmbedded systemMathematicsBiochemistryGeometryArtLiteratureCO2 Reduction Techniques and CatalystsCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions