Applied Catalysis2022,Vol.31714.DOI:10.1016/j.apcatb.2022.121704

Citrate-regulated synthesis of hydrotalcite-like compounds as peroxymonosulfate activator -Investigation of oxygen vacancies and degradation pathways by combining DFT

Lei Qin Haoyang Ye Cui Lai
Applied Catalysis2022,Vol.31714.DOI:10.1016/j.apcatb.2022.121704

Citrate-regulated synthesis of hydrotalcite-like compounds as peroxymonosulfate activator -Investigation of oxygen vacancies and degradation pathways by combining DFT

Lei Qin 1Haoyang Ye 1Cui Lai1
扫码查看

作者信息

  • 1. College of Environmental Science and Engineering, Hunan University, Changsha 410082, PR China
  • 折叠

Abstract

This work investigated the triggering mechanism of peroxymonosulfate (PMS) activated by an oxygen vacancy (Ov)-rich cobalt (Co)-based hydrotalcite-like compound (CA-LDH). CA-LDH was synthesized by a urea-hydrothermal process with ammonium citrate (CA) as the reducing agent. The PMS activation mechanism was investigated by combining batch experiments, characterization techniques, and DFT calculations. Over 98 % of CIP (20 mg/L) was degraded by the CA-LDH/PMS system within 60 min, which remained efficient in the presence of common interfering substances or over a wide pH range. DFT showed that CA was beneficial for introducing the electron transfer intermediate, namely, Ov, on CA-LDH, thereby allowing for the unique electron transfer performance of CA-LDH. Specifically, electron transfer from Co-Ov to PMS triggered the radical pathway, while electron transfer from PMS to Co-Ov triggered the nonradical pathway. Overall, this study provides a reference for the rational catalyst synthesis and the investigation of the triggering mechanism of PMS activation.

Key words

Antibiotic/Hydrotalcite-like compounds/Oxygen vacancy regulation strategies/Peroxymonosulfate activation/Theoretical chemical calculation

引用本文复制引用

出版年

2022
Applied Catalysis

Applied Catalysis

ISSN:0926-3373
被引量41
参考文献量87
段落导航相关论文