Precise design of nickel phthalocyanine molecular structure: Optimizing electronic and spatial effects for remarkable electrocatalytic CO2 reduction
Jinɡjinɡ Li, Fengwei Zhang, Xinyu Zhan, Hefang Guo, Han Zhang, Wenyan Zan, Zhenyu Sun, Xian‐Ming Zhang, Xian‐Ming Zhang
Topics & Concepts
CatalysisPhthalocyanineDensity functional theoryNickelSubstituentChemistryTransition metalCombinatorial chemistryElectronic effectActive sitePhotochemistryMaterials scienceComputational chemistryStereochemistryOrganic chemistryCO2 Reduction Techniques and CatalystsIonic liquids properties and applicationsCarbon dioxide utilization in catalysis