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Surface-Phosphorylated Ceria for Chlorine-Tolerance Catalysis.
Su, Yuetan; Cao, Kexin; Lu, Yunhao; Meng, Qingjie; Dai, Qiguang; Luo, Xueqing; Lu, Hanfeng; Wu, Zhongbiao; Weng, Xiaole.
Afiliação
  • Su Y; Key Laboratory of Environment Remediation and Ecological Health, Ministry of Education, College of Environmental and Resource Sciences, Zhejiang University, 866 Yuhangtang Road, Hangzhou 310058, P. R. China.
  • Cao K; Key Laboratory of Environment Remediation and Ecological Health, Ministry of Education, College of Environmental and Resource Sciences, Zhejiang University, 866 Yuhangtang Road, Hangzhou 310058, P. R. China.
  • Lu Y; Key Laboratory of Silicon Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, P. R. China.
  • Meng Q; School of Civil & Environmental Engineering and Geography Science, Ningbo University, Ningbo 315211, P. R. China.
  • Dai Q; Key Laboratory for Advanced Materials, Research Institute of Industrial Catalysis, School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai 200237, P. R. China.
  • Luo X; ZJU-Hangzhou Global Scientific and Technological Innovation Center, Hangzhou 311200, P. R. China.
  • Lu H; Institute of Catalytic Reaction Engineering, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014, P. R. China.
  • Wu Z; Key Laboratory of Environment Remediation and Ecological Health, Ministry of Education, College of Environmental and Resource Sciences, Zhejiang University, 866 Yuhangtang Road, Hangzhou 310058, P. R. China.
  • Weng X; Zhejiang Provincial Engineering Research Centre of Industrial Boiler & Furnace Flue Gas Pollution Control, 388 Yuhangtang Road, Hangzhou 310058, P. R. China.
Environ Sci Technol ; 58(2): 1369-1377, 2024 Jan 16.
Article em En | MEDLINE | ID: mdl-38048160
An improved fundamental understanding of active site structures can unlock opportunities for catalysis from conceptual design to industrial practice. Herein, we present the computational discovery and experimental demonstration of a highly active surface-phosphorylated ceria catalyst that exhibits robust chlorine tolerance for catalysis. Ab initio molecular dynamics (AIMD) calculations and in situ near-ambient pressure X-ray photoelectron spectroscopy (in situ NAP-XPS) identified a predominantly HPO4 active structure on CeO2(110) and CeO2(111) facets at room temperature. Importantly, further elevating the temperature led to a unique hydrogen (H) atom hopping between coordinatively unsaturated oxygen and the adjacent P═O group of HPO4. Such a mobile H on the catalyst surface can effectively quench the chlorine radicals (Cl•) via an orientated reaction analogous to hydrogen atom transfer (HAT), enabling the surface-phosphorylated CeO2-supported monolithic catalyst to exhibit both expected activity and stability for over 68 days during a pilot test, catalyzing the destruction of a complex chlorinated volatile organic compound industrial off-gas.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Oxigênio / Cloro Idioma: En Ano de publicação: 2024 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Oxigênio / Cloro Idioma: En Ano de publicação: 2024 Tipo de documento: Article