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ZnS-modified carbon nitride nanosheet with enhanced performance of elemental Hg removal: An experimental and density functional theory study

  • Polymer, Industrial Chemistry
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Abstract

The emission of mercury from anthropogenic activities is a serious concern in both developed and developing countries due to its high toxicity and persistence. Here, carbon nitride nanosheets (CNNS) were attained via a two-step thermal etching method and applied for Hg0 removal. Proper deposition of ZnS can markedly reinforce the Hg0 capture ability of CNNS. 10ZnS/CNNS notably outperforms ZnS and CNNS at 100 °C, which is primarily attributed to surface chemisorbed oxygen species and polysulfide active sites. Besides, Hg0 adsorption and thermal catalytic oxidation pathways are further disclosed using quantum chemistry calculations based on density functional theory (DFT). The calculation results show that the presence of zinc species is beneficial to the decomposition of adsorbed oxygen, which plays a key role in the catalytic oxidation of Hg0, thereby contributing to the enhancement of mercury removal performance.

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Acknowledgements

This research is sponsored by National Natural Science Foundation of China (grant no. 52076126), Natural Science Foundation of Shanghai (grant no. 18ZR1416200), and Senior Talent Foundation of Jiangsu University (grant no. 18JDG017).

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Correspondence to Jiang Wu or Dongjing Liu.

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Additional information as noted in the text. This information is available via the Internet at http://www.springer.com/chemistry/journal/11814.

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11814_2021_1050_MOESM1_ESM.pdf

ZnS-modified carbon nitride nanosheet with enhanced performance of elemental Hg removal: An experimental and density functional theory study

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Ling, Y., Wu, J., Yang, L. et al. ZnS-modified carbon nitride nanosheet with enhanced performance of elemental Hg removal: An experimental and density functional theory study. Korean J. Chem. Eng. 39, 1641–1650 (2022). https://doi.org/10.1007/s11814-021-1050-7

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  • DOI: https://doi.org/10.1007/s11814-021-1050-7

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