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Co-adsorption enhancement of formaldehyde/carbon dioxide over modified hexagonal boron nitride for whole-surface capture purification.
- Source :
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Journal of environmental management [J Environ Manage] 2024 Apr; Vol. 356, pp. 120586. Date of Electronic Publication: 2024 Mar 20. - Publication Year :
- 2024
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Abstract
- Simultaneous capture of formaldehyde (HCHO) and carbon dioxide (CO <subscript>2</subscript> ) in indoor air is promising of achieving indoor-air purification. Of all potential adsorbents, hexagonal boron nitride (h-BN) is one of the most suitable species owing to facile formation of attraction points. Therefore, in this study, performances of HCHO and CO <subscript>2</subscript> being adsorbed over pure/modified h-BN are systematically investigated via density functional theory (DFT) calculations. Minutely speaking, direct interaction between HCHO and CO <subscript>2</subscript> , single-point adsorption enhancement of HCHO over modified h-BN, co-adsorption reinforcement of HCHO/CO <subscript>2</subscript> as well as relevant thermodynamic characteristics are major research contents. According to calculation results, there is relatively strong attraction between HCHO and CO <subscript>2</subscript> owing to hydrogen bonds, which is in favor of co-adsorption of HCHO/CO <subscript>2</subscript> . As to single-adsorption of HCHO, C-doped h-BN shows better adsorption features than P-doped h-BN and C/P-doped h-BN is slightly weakened in adsorption ability due to surficial deformation caused by P atoms. For co-adsorption of HCHO/CO <subscript>2</subscript> , CO <subscript>2</subscript> is the protagonist via formation of quasi-carbonate with the help of delocalized π-orbital electrons. Regarding effects of temperatures on adsorption strengths, they depend on interelectronic interactions among dopant atoms and finally derives from dispersion of π bonds across adsorbents. Overall, this study provides detailed mechanisms for co-capture of HCHO/CO <subscript>2</subscript> to accomplish indoor-air purification.<br />Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.<br /> (Copyright © 2024 Elsevier Ltd. All rights reserved.)
- Subjects :
- Adsorption
Boron Compounds
Carbon Dioxide
Formaldehyde chemistry
Subjects
Details
- Language :
- English
- ISSN :
- 1095-8630
- Volume :
- 356
- Database :
- MEDLINE
- Journal :
- Journal of environmental management
- Publication Type :
- Academic Journal
- Accession number :
- 38513581
- Full Text :
- https://doi.org/10.1016/j.jenvman.2024.120586