Effect of boron doping on sensing properties of CNTS functionalized with nitro group

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Authors

Dryuchkov Evgeniy¹ , Zaporotskova Irina¹ , Zaporotskov Pavel¹

1. Volgograd State University

Conference / event

8th Asian Symposium on Advanced Materials ASAM-8, July 2023 (Novosibirsk, Russian Federation)

Poster summary

In this paper, we have examined the effect of impurity boron atoms on the sensory properties of zig-zag type boron-carbon nanotubes (6,0) containing different numbers of boron atoms, namely 50% and 25%. Let's call them BC and BC3 nanotubes. The simulation was carried out using the DFT calculation method, the B3LYP functionality and the basis set of 6-31G.

Keywords

Nanotubes, Sensor devices, Impurity boron atom, Functionalization, Nitro group

Research areas

Nanoengineering, Material Sciences

References

1. S. Peng, K. Cho, Nano Letters. 3 (2003) 513-517
2. F. Nogueira, A. Castro, M.A.L. Marques, Lecture Notes in Physics, 620 (2003)
3. I.A. Vitale, G. Selvolini, G. Marrazza, Chemosensors. 11 (2023) 77
4. L.C.T. Cao, L. Hakim, Characteristics and Applications of Boron. (2022) 40

Funding

1. Ministry of Science and Higher Education of the Russian Federation (No. FZUU-2023-0001)

Supplemental files

No data provided

Additional information

Competing interests

No competing interests were disclosed.

Data availability statement

The datasets generated during and / or analyzed during the current study are available from the corresponding author on reasonable request.

Creative Commons license

Copyright © 2023 Evgeniy et al. This is an open access work distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.