Promotional Effect of Pt-Doping on the Catalytic Performance of Pt?CeO2 Catalyst for CO Oxidation

Growing interest in the development of a hydrogen economy means that CO oxidation is increasingly important for upgrading H2-rich fuel gas streams cells. CeO2-supported catalysts are most promising candidates catalytic because their high activity. In present work, DFT+U calculations were performed to investigate stability and reactivity Ptn (n = 1?4) clusters supported on CeO2(111) (Pt/CeO2) Pt-doped (Pt/(Pt?Ce)O2) surfaces. The Pt showed similar nucleation behavior both CeO2 (Pt?Ce)O2 Further, formation oxygen vacancies (Ov) was facilitated surface charge depletion caused by dopant Pt. Our DFT results suggest interfacial OV plays an role reaction cycle, calculated energy barrier Pt/(Pt?Ce)O2 approximately 0.43 eV lower than undoped catalyst, suggesting enhanced reactivity. Therefore, chemical modification support via doping effective strategy improving performance Pt/CeO2.