| 초록 |
Recently, exhaust gas problem has been considered one of the important issues with increasing in sales of automobiles. In particular, ceria based catalysts have been developed to remove the carbon dioxide (CO), one of emission gas, which is also. In this study, we designed the enhanced catalyst for CO oxidation by means of co-doping of transition metals on ceria. We firstly screened 13 dopant metals (8-11 groups, 4-6 periods elements, and Mn) and their combinations through density functional theory (DFT) calculations. Based on the results, we selected to experimentally validate five transition metals (TM = Cu, Co, Mn, Fe and Ag) doped and their co-doped ceria. The TM-doped ceria nanoparticles (Ce0.95TM0.05O2-δ) were synthesized by EDTA-citrate complexing method, which were then characterized by XRD, SEM, and BET measurement. From first-principles calculations to the experiments, we successfully demonstrated the good candidates of dopants to improve the catalytic activity of ceria catalyst for CO oxidation. |
