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

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作者

Dryuchkov Evgeniy¹ , Zaporotskova Irina¹ , Zaporotskov Pavel¹

1. Volgograd State University

会议/活动

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

海报摘要

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.

关键词

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

研究领域

Nanoengineering, Material Sciences

参考文献

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

基金

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

补充材料

暂无数据

附加信息

利益冲突

No competing interests were disclosed.

数据可用性声明

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

知识共享许可协议

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.