Journal
JOURNAL OF HAZARDOUS MATERIALS
Volume 389, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.jhazmat.2020.122072
Keywords
Perovskite; Charge redistribution; Heterogeneous catalysis; Oxygen vacancy; DFT calculation
Categories
Funding
- Natural Science Foundation of China [51608217, 51878309, 51508213]
- National Key Research and Development Program of China [2018YFC1900105]
- Innovative and Interdisciplinary Team at HUST [0118261077]
- Fundamental Research Fund for the Central Universities [2017KFYXJJ217]
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The novel catalyst LaCu0.5Fe0.5O3-delta with oxygen vacancies (OVs) was prepared and demonstrated excellent stability and activity for the degradation of bisphenol A. The removal rate of 92.1 % and H2O2 utilization efficiency of 70.4 % were obtained due to the efficient hydroxyl radical generation mediated by OVs. The density functional theory calculation showed that the substitution of Cu and formation of OVs significantly increases the charge density near the active sites. Bader charge analysis revealed that the charge offset accelerated the reduction of Fe. The elevation of electron transfer efficiency also promotes the valence transition of copper and iron atoms. The reversible electronic transition between Fe2+ reversible arrow Fe3+, Cu+ reversible arrow Cu2+ and Cu2+ reversible arrow Fe2+ involved in this reaction were considered to be enhanced and the homolytic bond clearage of H2O2 was simultaneously promoted, facilitated by the electron-rich region combined with OVs on the surface of LaCu0.5Fe0.5O3-delta.
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