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Co Single Atoms and CoOx Nanoclusters Anchored on Ce0.75Zr0.25O2 Synergistically Boosts the NO Reduction by CO |
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| Authors: | Shaomian Liu Yongjun Ji Bing Liu Wenqing Xu Wenxing Chen Jian Yu Ziyi Zhong Guangwen Xu Tingyu Zhu Fabing Su |
| Affiliation: | 1. Institute of Process Engineering, Chinese Academy of Sciences, Beijing, 100190 P. R. China
School of Chemical Engineering, University of Chinese Academy of Sciences, Beijing, 100049 P. R. China Contribution: Data curation (lead), Formal analysis (lead), ?Investigation (lead), Methodology (lead), Validation (lead), Visualization (lead), Writing - original draft (lead);2. School of Light Industry, Beijing Technology and Business University, Beijing, 100048 P. R. China;3. Department of Chemical Engineering, School of Chemical and Material Engineering, Jiangnan University, Wuxi, 214122 P. R. China;4. Institute of Process Engineering, Chinese Academy of Sciences, Beijing, 100190 P. R. China;5. Energy & Catalysis Center, School of Materials Science and Engineering, Beijing Institute of Technology, Beijing, 100081 P. R. China;6. Institute of Process Engineering, Chinese Academy of Sciences, Beijing, 100190 P. R. China Contribution: Resources (lead);7. Department of Chemical Engineering, Guangdong Technion-Israel Institute of Technology (GTIIT), 241 Daxue Road, Shantou, 515063 P. R. China Technion-Israel Institute of Technology (IIT), Haifa, 32000 Israel Contribution: Writing - review & editing (lead);8. Institute of Industrial Chemistry and Energy Technology, Shenyang University of Chemical Technology, Shenyang, 110142 P. R. China Contribution: Resources (lead);9. Institute of Process Engineering, Chinese Academy of Sciences, Beijing, 100190 P. R. China Institute of Industrial Chemistry and Energy Technology, Shenyang University of Chemical Technology, Shenyang, 110142 P. R. China Contribution: Conceptualization (lead), Funding acquisition (lead), Methodology (lead), Project administration (lead), Supervision (lead), Visualization (lead), Writing - review & editing (lead) |
| Abstract: | Achieving high NO conversion and N2 selectivity in selective catalytic reduction of NO by CO (CO-SCR) in a wide operating temperature window, particularly in the presence of high O2 concentration, remains a big challenge. Herein, guided by density functional theory (DFT) calculations, a catalyst is rationally developed with dual active centers consisting of both Co single-atoms (SAs) and CoOx nanoclusters (NCs) co-anchored on Ce0.75Zr0.25O2 support (CZO), which show above 99.7% NO conversion and 100% N2 selectivity at 250–400 °C under 5 vol% O2. DFT calculation and experimental results confirm a strong interaction among Co SAs, CoOx NCs, and CZO support. Co SAs enhance CO adsorption and accompany the oxygen vacancies (OVs) formation in CZO, while the CoOx NCs promote both NO conversion to nitrate intermediate and the breakage of the N? O bond at OVs, thus synergistically boosting the N2 formation. |
| Keywords: | cerium zirconium solid solution Co single atoms CoOx nanoclusters CO-SCR O2-containing conditions |