Metal porphyrins (M = Ti, Fe, Co, Ni, Cu, or Zn) as potential catalysts for the oxidation of CO by N<sub>2</sub>O: insight from DFT calculations
Shutao Wang, Zhao Liu, Yanjie Ye, Meng Xu, Pengcheng Yang, Zhengze Zhang, Yi‐Feng Qiu, Junqiang Lei
Abstract
A highly active metal porphyrin catalyst for the treatment of harmful CO and N 2 O into N 2 and CO 2 was theoretically screened by DFT calculation.
Topics & Concepts
ChemistryPorphyrinCatalysisMetalInorganic chemistryPhysical chemistryPhotochemistryOrganic chemistryCatalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsCO2 Reduction Techniques and Catalysts