成果归属作者：

王晨

作者：

Cui, Longyan ; Liang, Xuetao ; Li, Jingran ; Liu, Bingyang ; Wang, Mengying ; Wang, Chen ; Xie, Dongrun ; Wang, Han ; Liu, Ziteng ; Sun, Mingyue ; Yang, Qi ; Yang, Zhilin

单位：

China Univ Geosci Beijing, MOE Key Lab Groundwater Circulat & Environm Evolut, Beijing 100083, Peoples R China;Chinese Res Inst Environm Sci, Beijing 100012, Peoples R China

摘要：

Cation vacancies play a critical role in modulating the intrinsic properties and charge transfer processes of heterojunction photocatalysts. In this study, a heterojunction material containing bismuth vacancies (VBi), referred to as VBi-Bi2MoO6/NH2-MIL-68 (In)-50 (BBNM-50), was successfully synthesized. Density functional theory (DFT) calculations revealed that the introduction of VBi modified the surface active sites and optimized the interfacial electronic structure, thereby significantly enhancing the photocatalytic performance of the heterojunction. The presence of VBi increased the tetracycline (TC) degradation rate of Bi2MoO6/NH2-MIL-68(In)-50 (BNM-50) from 0.0310 min-1 to 0.0537 min-1. The selective degradation efficiency toward different antibiotics in this oxidative system was influenced by the LUMO-HOMO band gap, the varying reactivity of center dot O2-, and adsorption capacity. Experimental validation through quenching tests and electron paramagnetic resonance (EPR) confirmed the dominant roles of h+ and center dot O2-. Combined with X-ray photoelectron spectroscopy (XPS), the results provided conclusive evidence for the formation of an S-type charge transfer mechanism. BBNM-50 also exhibited strong environmental stability, and its microsphere-based flow-through reactor bed enabled continuous and efficient TC removal under natural sunlight. Finally, liquid chromatography-mass spectrometry (LC-MS) and algal toxicity assays demonstrated that the system effectively degraded TC and reduced its toxicity.

基金：

Fundamental Research Funds for the Central Public-interest Scientific Institution [2024YSKY-46]; National Natural Science Foundation of China [50578151]; National Science and Technology Major Project of China [2015ZX07406005]

语种：

英文

DOI：

10.1016/j.apcatb.2025.125853

来源：

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY,2026():.

出版日期：

2026-02

提交日期：

2025-09-23

引用参考：

Cui, Longyan; Liang, Xuetao; Li, Jingran; Liu, Bingyang; Wang, Mengying; Wang, Chen; Xie, Dongrun; Wang, Han; Liu, Ziteng; Sun, Mingyue; Yang, Qi; Yang, Zhilin. Bi vacancies enhanced Bi2MoO6/NH2-MIL-68(In) S-type heterojunction for photocatalytic degradation of emerging pollutants: Interfacial charge transfer mechanism and surface active site recognition[J]. APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY,2026():.