Oxygen vacancy mediated surface charge redistribution of Cu-substituted LaFeO₃ for degradation of bisphenol A by efficient decomposition of H₂O₂

TY - JOUR

T1 - Oxygen vacancy mediated surface charge redistribution of Cu-substituted LaFeO3 for degradation of bisphenol A by efficient decomposition of H2O2

AU - Pan, Keliang

AU - Yang, Changzhu

AU - Hu, Jingping

AU - Yang, Wenlong

AU - Liu, Bingchuan

AU - Yang, Jiakuan

AU - Liang, Sha

AU - Xiao, Keke

AU - Hou, Huijie

N1 - Publisher Copyright: © 2020 Elsevier B.V.

PY - 2020/5/5

Y1 - 2020/5/5

N2 - The novel catalyst LaCu0.5Fe0.5O3-δ 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+ ⇆ Fe3+, Cu+ ⇆ Cu2+ and Cu2+ ⇆ 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-δ.

AB - The novel catalyst LaCu0.5Fe0.5O3-δ 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+ ⇆ Fe3+, Cu+ ⇆ Cu2+ and Cu2+ ⇆ 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-δ.

KW - Charge redistribution

KW - DFT calculation

KW - Heterogeneous catalysis

KW - Oxygen vacancy

KW - Perovskite

UR - http://www.scopus.com/inward/record.url?scp=85077982717&partnerID=8YFLogxK

U2 - 10.1016/j.jhazmat.2020.122072

DO - 10.1016/j.jhazmat.2020.122072

M3 - 文章

C2 - 31978817

AN - SCOPUS:85077982717

SN - 0304-3894

VL - 389

JO - Journal of Hazardous Materials

JF - Journal of Hazardous Materials

M1 - 122072

ER -