Mechanistic understanding of 3d-metal phthalocyanine catalysts: heterostructure regulation of d<sub><i>z</i><sup>2</sup></sub> orbitals for efficient CO<sub>2</sub> reduction
Jiayong Xiao, Jofrey J. Masana, Hao Dong, Hui Zhang, Haolan Yang, Ming Qiu, Ying Yu
Abstract
The heterostructure strategy modulates the d z 2 orbital of central active sites effectively and thus promotes the performance of electrocatalytic CO 2 reduction of the 3d-TMPc molecular catalyst.
Topics & Concepts
HeterojunctionCatalysisPhthalocyanineAtomic orbitalMolecular orbitalReduction (mathematics)MetalChemistryMaterials scienceNanotechnologyPhysicsOptoelectronicsMoleculeElectronQuantum mechanicsOrganic chemistryGeometryMathematicsCO2 Reduction Techniques and CatalystsElectrocatalysts for Energy ConversionAmmonia Synthesis and Nitrogen Reduction