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Theoretical studies with B12N12 as a toxic gas sensor: a review

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Abstract

This systematic review presents an overview, from 2011 to 2022, of how pure B12N12 and B12N12-modified nanocages have been used to detect toxic gases from studies based on density functional theory (DFT). Searches were carried out in the ISI Web of Science, Science Direct, and Scopus databases to identify all studies related to B12N12 nanocages and, with the application of exclusion and inclusion criteria, to select articles involving theoretical studies of pure B12N12 and B12N12-modified nanocages as toxic gas sensors. In addition, from our analysis of these articles, we infer that a pure B12N12 nanocage can selectively detect O3, HNO, NO, CO, ClCN, and FCN gases. However, it cannot detect N2O and NH3. In contrast, metal-modified B12N12 nanocage can detect a wider range of gases such as CO, NH3, PH3, AsH3, SO2, O3, COCl2, NCCN, and ClCN. However, few studies have discussed the interference effects due to the presence of other gases in the atmosphere and/or the incorporation of different structural modifications (decorated, doped, and encapsulated) into the cage. Lastly, this systematic review will guide the development of new applications of nanocages in the selective detection of toxic gases.

Graphical Abstract

Schematic representation of the detection of different toxic gases on a B12N12 nanocage surface.

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Acknowledgements

The authors are grateful for the financial support provided by CAPES, CNPq, and FAPEMA.

Funding

This work is supported by the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES—grant No. 88887.472618/2019–00-PROCAD-AM).

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  1. Universidade Estadual Do Maranhão, São Luís, MA, 65055-310, Brazil

    Adilson Luís Pereira Silva

  2. Universidade Federal Do Maranhão, São Luís, MA, 65080-805, Brazil

    Adilson Luís Pereira Silva, Natanael de Sousa Sousa & Jaldyr de Jesus Gomes Varela Júnior

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Adilson L. P. Silva: investigation, writing, reviewing, and editing. Natanael de S. Sousa: investigation, writing. Jaldyr de J. G. Varela Júnior: conceptualization, methodology, resources, supervision, and funding acquisition.

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Silva, A.L.P., de Sousa Sousa, N. & de Jesus Gomes Varela Júnior, J. Theoretical studies with B12N12 as a toxic gas sensor: a review. J Nanopart Res 25, 22 (2023). https://doi.org/10.1007/s11051-023-05667-9

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