Significant Differences in the Effects of Nitrogen Doping on Pristine Biochar and Graphene-like Biochar for the Adsorption of Tetracycline
To improve the adsorption efficiency of pollutants by biochar, preparing graphene-like biochar (GBC) or nitrogen-doped biochar are two commonly used methods. However, the difference in the nitrogen doping (N-doping) effects upon the adsorption of pollutants by pristine biochar (PBC) and GBC, as well...
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MDPI AG
2023-12-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/29/1/173 |
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| author | Lingling Rong Ligui Wu Tiao Zhang Cui Hu Haihui Tang Hongcheng Pan Xiaoming Zou |
| author_facet | Lingling Rong Ligui Wu Tiao Zhang Cui Hu Haihui Tang Hongcheng Pan Xiaoming Zou |
| author_sort | Lingling Rong |
| collection | DOAJ |
| description | To improve the adsorption efficiency of pollutants by biochar, preparing graphene-like biochar (GBC) or nitrogen-doped biochar are two commonly used methods. However, the difference in the nitrogen doping (N-doping) effects upon the adsorption of pollutants by pristine biochar (PBC) and GBC, as well as the underlying mechanisms, are still unclear. Take the tetracycline (TC) as an example, the present study analyzed the characteristics of the adsorption of TCs on biochars (PBC, GBC, N-PBC, N-GBC), and significant differences in the effects of N-doping on the adsorption of TCs by PBC and GBC were consistently observed at different solution properties. Specifically, N-doping had varied effects on the adsorption performance of PBC, whereas it uniformly improved the adsorption performance of GBC. To interpret the phenomenon, the N-doping upon the adsorption was revealed by the QSAR model, which indicated that the pore filling (<i>V<sub>M</sub></i>) and the interactions between TCs with biochars (<i>E<sub>ad-v</sub></i>) were found to be the most important two factors. Furthermore, the density functional theory (DFT) results demonstrated that N-doping slightly affects biochar’s chemical reactivity. The van der Waals (vdWs) and electrostatic interactions are the main forces for TCs-biochars interactions. Moreover, N-doping mostly strengthened the electrostatic interactions of TCs-biochars, but the vdWs interactions of most samples remained largely unaffected. Overall, the revealed mechanism of N-doping on TCs adsorption by biochars will enhance our knowledge of antibiotic pollution remediation. |
| first_indexed | 2024-03-08T15:01:53Z |
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| id | doaj.art-ec198f8cb8db4c05989f7cbab74a2ba6 |
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| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-08T15:01:53Z |
| publishDate | 2023-12-01 |
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| series | Molecules |
| spelling | doaj.art-ec198f8cb8db4c05989f7cbab74a2ba62024-01-10T15:04:23ZengMDPI AGMolecules1420-30492023-12-0129117310.3390/molecules29010173Significant Differences in the Effects of Nitrogen Doping on Pristine Biochar and Graphene-like Biochar for the Adsorption of TetracyclineLingling Rong0Ligui Wu1Tiao Zhang2Cui Hu3Haihui Tang4Hongcheng Pan5Xiaoming Zou6College of Environmental Science and Engineering, Guilin University of Technology, Guilin 541004, ChinaCollege of Environmental Science and Engineering, Tongji University, Shanghai 200092, ChinaSchool of Life Science, Jinggangshan University, 28 Xueyuan Road, Ji’an 343009, ChinaSchool of Life Science, Jinggangshan University, 28 Xueyuan Road, Ji’an 343009, ChinaSchool of Life Science, Jinggangshan University, 28 Xueyuan Road, Ji’an 343009, ChinaCollege of Environmental Science and Engineering, Guilin University of Technology, Guilin 541004, ChinaSchool of Life Science, Jinggangshan University, 28 Xueyuan Road, Ji’an 343009, ChinaTo improve the adsorption efficiency of pollutants by biochar, preparing graphene-like biochar (GBC) or nitrogen-doped biochar are two commonly used methods. However, the difference in the nitrogen doping (N-doping) effects upon the adsorption of pollutants by pristine biochar (PBC) and GBC, as well as the underlying mechanisms, are still unclear. Take the tetracycline (TC) as an example, the present study analyzed the characteristics of the adsorption of TCs on biochars (PBC, GBC, N-PBC, N-GBC), and significant differences in the effects of N-doping on the adsorption of TCs by PBC and GBC were consistently observed at different solution properties. Specifically, N-doping had varied effects on the adsorption performance of PBC, whereas it uniformly improved the adsorption performance of GBC. To interpret the phenomenon, the N-doping upon the adsorption was revealed by the QSAR model, which indicated that the pore filling (<i>V<sub>M</sub></i>) and the interactions between TCs with biochars (<i>E<sub>ad-v</sub></i>) were found to be the most important two factors. Furthermore, the density functional theory (DFT) results demonstrated that N-doping slightly affects biochar’s chemical reactivity. The van der Waals (vdWs) and electrostatic interactions are the main forces for TCs-biochars interactions. Moreover, N-doping mostly strengthened the electrostatic interactions of TCs-biochars, but the vdWs interactions of most samples remained largely unaffected. Overall, the revealed mechanism of N-doping on TCs adsorption by biochars will enhance our knowledge of antibiotic pollution remediation.https://www.mdpi.com/1420-3049/29/1/173nitrogen dopingbiochartetracycline antibioticsadsorption mechanismdensity functional theory |
| spellingShingle | Lingling Rong Ligui Wu Tiao Zhang Cui Hu Haihui Tang Hongcheng Pan Xiaoming Zou Significant Differences in the Effects of Nitrogen Doping on Pristine Biochar and Graphene-like Biochar for the Adsorption of Tetracycline Molecules nitrogen doping biochar tetracycline antibiotics adsorption mechanism density functional theory |
| title | Significant Differences in the Effects of Nitrogen Doping on Pristine Biochar and Graphene-like Biochar for the Adsorption of Tetracycline |
| title_full | Significant Differences in the Effects of Nitrogen Doping on Pristine Biochar and Graphene-like Biochar for the Adsorption of Tetracycline |
| title_fullStr | Significant Differences in the Effects of Nitrogen Doping on Pristine Biochar and Graphene-like Biochar for the Adsorption of Tetracycline |
| title_full_unstemmed | Significant Differences in the Effects of Nitrogen Doping on Pristine Biochar and Graphene-like Biochar for the Adsorption of Tetracycline |
| title_short | Significant Differences in the Effects of Nitrogen Doping on Pristine Biochar and Graphene-like Biochar for the Adsorption of Tetracycline |
| title_sort | significant differences in the effects of nitrogen doping on pristine biochar and graphene like biochar for the adsorption of tetracycline |
| topic | nitrogen doping biochar tetracycline antibiotics adsorption mechanism density functional theory |
| url | https://www.mdpi.com/1420-3049/29/1/173 |
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