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A First Principles Investigation of the Bulk and Electronic Properties of Doped Armchair Graphene Nanoribbon for Sensing Dimethyl Disulphide

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Abstract:

Studies have revealed that sulphur compounds from dimethyl disulphide, an essential semiochemical, support a number of crucial plant growth processes, including protein synthesis, nitrogen metabolism, and enzyme activity. Dimethyl disulphide is a crucial fertiliser that aids in the growth and promotion of diverse plant species, according to numerous research. Sensing the presence or level of sulphur can fundamentally help in managing the inputs that are delivered in the field, leading to the success of environmentally friendly agricultural practises. The availability of this crucial voc affects the vigour and longevity of plant species. In this article, we use the density functional theory approach to analyse the adsorption behaviour of a dimethyl disulphide molecule on a graphene nanoribbon doped with boron. The analysis of the nanoribbon's bulk, electrical, and transport properties demonstrates its potential for the detection of this crucial volatile organic molecule.

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Periodical:

Materials Science Forum (Volume 1100)

Pages:

77-88

DOI:

https://doi.org/10.4028/p-eN9l10

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Online since:

October 2023

Authors:

Jaskaran Singh Phull, Harmandar Kaur*, Manjit Singh, Butta Singh, Himali Sarangal

Keywords:

Adsorption, Armchair Graphene Nanoribbon, DFT, Plant VOC, Sensing

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© 2023 Trans Tech Publications Ltd. All Rights Reserved

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