Boron nitride nanotube-based biosensor for acetone detection: molecular structural mechanics-based simulation

In this study, an ultra-sensitive biosensor based on a single-walled boron nitride nanotube (SWBNNT) structure is proposed for acetone detection. The molecular structural mechanics-based simulation approach has been used to model the atomic structure of SWBNNTs. The cantilevered and bridged configurations of SWBNNT-based biosensor have been considered for analysis. The resonant frequency shift due to attached mass has been analysed for the mass-based detection of acetone molecules. The present simulation approach is validated by comparing obtained simulated results with the continuum mechanics-based analytical results. Along with detection of the attached molecule, identification of its intermediate landing position along the length of the nanotube is equally important for the better performance of the biosensor systems. The frequency shift-based analysis has been reported for the mass-based detection of acetone molecules as well as its intermediate landing position along the length of the nanotube. The resonant frequency shift variations of the higher order modes of vibration for both the considered configurations of SWBNNTs have been assistive for the identification of intermediate landing position of the acetone molecule. The proposed molecular structural mechanics-based simulation approach is found to be very effectual in terms of simulation of the real atomic structures of the nanotube. The proposed biosensor can achieve extremely high sensitivity at molecular level and it can be potentially used for real-time sensing capability for the acetone concentration for future health monitoring.