Density functional theory study of Mobius boron-carbon-nitride as potential CH4, H2S, NH3, COCl2 and CH3OH gas sensor
The interesting properties of Mobius structure and boron-carbon-nitride (BCN) inspired this research to study different characteristics of Mobius BCN (MBCN) nanoribbon. The structural stability and vibrational, electrical and optical properties are analysed using the density functional theory. The g...
Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
The Royal Society
2022-11-01
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Series: | Royal Society Open Science |
Subjects: | |
Online Access: | https://royalsocietypublishing.org/doi/10.1098/rsos.220778 |