| Issue |
E3S Web Conf.
Volume 419, 2023
V International Scientific Forum on Computer and Energy Sciences (WFCES 2023)
|
|
|---|---|---|
| Article Number | 03005 | |
| Number of page(s) | 7 | |
| Section | Agricultural Sciences and the Environment | |
| DOI | https://doi.org/10.1051/e3sconf/202341903005 | |
| Published online | 25 August 2023 | |
Modified boron-carbon nanotubes as effective sensor devices for environmental pollution control
Volgograd State University, Volgograd, Russia
* Corresponding author: dryuchkov@volsu.ru
In this article, a theoretical study of the sensing properties of a functionalized amino-group boron-carbon nanotube of the zig-zag type (6.0) containing equal amounts of carbon and boron is discussed. Such a nanotube could act as an element of a sensor device for environmental protection. The simulation was performed within a molecular cluster model using the DFT computational method, the B3LYP functional and the 6-31G basis set. The main characteristics of nanotube functionalization, its sorption and sensory activity with respect to the alkali metal atoms Li, Na, and K are obtained. It is concluded that the system can be used to detect the presence of alkali metal atoms.
© The Authors, published by EDP Sciences, 2023
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.