Insight to unprecedented catalytic activity of double-nitrogen defective metal-free catalyst: Key role of coal gangue

Coal gangue modified g-C3N4 could extraordinarily enhance the degradation efficiency of bisphenol A. [Display omitted] •Metal-free hybrid catalyst based on coal gangue and g-C3N4 was firstly synthesized.•Coal gangue and N2 atmosphere introduced the double-nitrogen defects.•The presence of CG reduced...

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Bibliographic Details
Published in:Applied catalysis. B, Environmental Environmental, 2020-04, Vol.263, p.118316, Article 118316
Main Authors: Zhang, Xin, Zhao, Rongbo, Zhang, Na, Su, Yiguo, Liu, Zhiliang, Gao, Rui, Du, Chunfang
Format: Article
Language:English
Subjects:
Carbon nitride
Catalysts
Catalytic activity
Coal gangue
Cyano groups
Density functional theory
Energy
Energy gap
Energy sources
Gangue
Hydroxyl groups
Kaolinite
Minerals
Nitrogen
Nitrogen defects
Performance degradation
Peroxymonosulfate
Solid wastes
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Summary:Coal gangue modified g-C3N4 could extraordinarily enhance the degradation efficiency of bisphenol A. [Display omitted] •Metal-free hybrid catalyst based on coal gangue and g-C3N4 was firstly synthesized.•Coal gangue and N2 atmosphere introduced the double-nitrogen defects.•The presence of CG reduced the band-gap energy of CN and adsorption energy for PMS.•Catalysts CN-CGs displayed superior catalytic performance than bare g-C3N4 and CG. A series of metal-free, green and sustainable hybrid catalysts (CN-CGs) based on solid waste coal gangue (CG) and g-C3N4 (CN) were designed and synthesized for the first time. The abundant hydroxyl groups of CG and N2 atmosphere could induce double-nitrogen defects (cyano groups and nitrogen vacancies), which narrowed the band-gap energy of CN. The density functional theory (DFT) simulations demonstrated that the presence of CG could also reduce the adsorption energy for PMS. Both of two aspects were favorable for enhancing the catalytic performance. The experimental catalytic results were consistent with the DFT simulation that the catalysts (CN-CGs) displayed superior catalytic performance for BPA degradation without any extra energy sources than bare g-C3N4 and CG, which could remove 90% BPA (TOC removal efficiency was 80%) within 30 min. This work provided a direct evidence for natural minerals or solid wastes to participate in and improve the catalytic process.
ISSN:0926-3373
1873-3883
DOI:10.1016/j.apcatb.2019.118316