Modified boron-carbon nanotubes as effective sensor devices for environmental pollution control

E3S Web of Conferences Pub Date : 2023-09-01 DOI:10.1051/e3sconf/202341903005

E. Dryuchkov, Irina Zaporotskova, D. Zvonareva

引用次数: 0

Abstract

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.

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改性硼碳纳米管作为环境污染控制的有效传感器件

本文讨论了含等量碳硼的锯齿形(6.0)功能化氨基硼碳纳米管传感性能的理论研究。这种纳米管可以作为环境保护传感器装置的元件。利用DFT计算方法、B3LYP泛函和6-31G基集在分子簇模型中进行模拟。得到了纳米管功能化的主要特征，以及它对碱金属原子Li、Na和K的吸附和感觉活性。结果表明，该系统可用于检测碱金属原子的存在。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

E3S Web of Conferences Energy-Energy (all)

CiteScore

0.90

自引率

0.00%

发文量

1133

期刊介绍： E3S Web of Conferences is an Open Access publication series dedicated to archiving conference proceedings in all areas related to Environment, Energy and Earth Sciences. The journal covers the technological and scientific aspects as well as social and economic matters. Major disciplines include: soil sciences, hydrology, oceanography, climatology, geology, geography, energy engineering (production, distribution and storage), renewable energy, sustainable development, natural resources management… E3S Web of Conferences offers a wide range of services from the organization of the submission of conference proceedings to the worldwide dissemination of the conference papers. It provides an efficient archiving solution, ensuring maximum exposure and wide indexing of scientific conference proceedings. Proceedings are published under the scientific responsibility of the conference editors.