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Rational Design of Transition Metal Co‐Doped Ceria Catalysts for Low‐T…

Year of publication
Title of paper
Rational Design of Transition Metal Co‐Doped Ceria Catalysts for Low‐Temperature CO Oxidation
Author
[한정우교수 연구실_표지논문]
Publication in journal
ChemCatChem 11, p2288–2296, 2019
Publication date
20190507

[Abstract]

We present a highly active CeO2‐based catalyst for oxidizing CO in automobile exhaust. This catalyst was systemically designed by co‐doping with transition metals (TMs). First, we used density functional theory (DFT) calculations to screen Mn and 13 dopant TMs (periods 4∼6 in groups VIII∼XI) and their 91 binary combinations for co‐doping. As a result, Cu and (Cu, Ag) were found to be the best candidates among the single and binary dopants, respectively. Next, we synthesized CeO2 nanoparticles doped with Cu or (Cu, Ag), then experimentally confirmed that the predicted (Cu, Ag) co‐doped CeO2 showed higher activity than pure CeO2 and other TM‐doped CeO2. This was attributed to the easy formation of oxygen vacancies in the lattice of CeO2. Our study demonstrates that the use of a rational design of CeO2‐based catalyst through theoretical calculations and experimental validation can effectively improve the low‐temperature catalytic activity of CO oxidation.

 

DOI: 10.1002/cctc.201900178

Link: https://onlinelibrary.wiley.com/doi/10.1002/cctc.201900178