δ-antimonene nanosheet as a sensing element for ethyl acetate and butyl acetate – a first-principles study

Abstract

The detection of volatile organic compounds, such as ethyl acetate, and butyl acetate emitted from industries is essential to ensure safety. The two-dimensional (2D) material δ-antimonene nanosheet (δ-SbNS) is used as a base substrate for the detection of ethyl acetate, and butyl acetate vapours. Based on the first-principles investigation, the structural stability and electronic properties of δ-SbNS are determined. The adsorption energy indicates that ethyl acetate and butyl acetate molecules are physisorbed on δ-SbNS. Furthermore, the electron difference density and charge transfer studies reveal the acceptor nature of δ-SbNS. Also, the projected density of states (PDOS) and energy band structure studies upon adsorption of ethyl acetate, and butyl acetate on δ-SbNS are reported. The δ-SbNS behaves as a chemi-resistor owing to adsorption and desorption of ethyl acetate, and butyl acetate vapours.

GRAPHICAL ABSTRACT

KEYWORDS:

• Ethyl acetate
• butyl acetate
• antimonene
• adsorption
• chemical sensor

Disclosure statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

The authors wish to express their sincere thanks to Nano Mission Council, Department of Science & Technology, India [grant number No.SR/NM/NS-1011/2017(G)] for the financial support and FIST funding [grant number (SR/FST/PS-1/2020/135)].