Effect of boron doping on sensing properties of CNTS functionalized with nitro group
PUBLISHED June 30, 2023 (DOI: https://doi.org/10.54985/peeref.2306p8273508)
Dryuchkov Evgeniy1 , Zaporotskova Irina1 , Zaporotskov Pavel1
- Volgograd State University
Conference / event
- 8th Asian Symposium on Advanced Materials ASAM-8, July 2023 (Novosibirsk, Russian Federation)
- 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.
- Nanotubes, Sensor devices, Impurity boron atom, Functionalization, Nitro group
- Nanoengineering, Material Sciences
- S. Peng, K. Cho, Nano Letters. 3 (2003) 513-517
- F. Nogueira, A. Castro, M.A.L. Marques, Lecture Notes in Physics, 620 (2003)
- I.A. Vitale, G. Selvolini, G. Marrazza, Chemosensors. 11 (2023) 77
- L.C.T. Cao, L. Hakim, Characteristics and Applications of Boron. (2022) 40
- Ministry of Science and Higher Education of the Russian Federation (No. FZUU-2023-0001)
- No data provided
- 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.
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