Interaction of the III-As monolayer with SARS-CoV-2 biomarkers: implications for biosensor development

Area of Science:

• Materials Science
• Nanotechnology
• Computational Chemistry

Background:

• The COVID-19 pandemic necessitates rapid, non-invasive disease detection methods.
• Human breath contains volatile organic compounds (VOCs) linked to diseases like COVID-19.
• Two-dimensional (2D) materials offer potential for sensitive biomarker detection.

Purpose of the Study:

• To investigate the adsorption effects of SARS-CoV-2 biomarkers on III-Arsenide (BAs, GaAs, AlAs) monolayers.
• To assess the potential of these monolayers as sensors for COVID-19 detection.
• To evaluate modifications in electronic, optical, and sensing properties upon biomarker adsorption.

Main Methods:

• First-principles computations using Density Functional Theory (DFT).
• Analysis of band structure, density of states (DOS), work function, and electron density difference.
• Investigation of optical properties (reflectance, absorbance) and chemiresistive sensitivity.

Main Results:

• Volatile organic compounds (VOCs) significantly alter the work function of GaAs monolayers.
• Pristine GaAs monolayers exhibit high sensitivity and selectivity towards SARS-CoV-2 biomarkers.
• GaAs monolayers demonstrate acceptable recovery times, further improved by UV light exposure.

Conclusions:

• GaAs monolayers show significant potential for chemiresistive, work function-based, and optical sensors for COVID-19 VOCs.
• GaAs demonstrates superior sensing capabilities compared to BAs and AlAs for these specific biomarkers.
• The findings support the development of advanced breathalyzer technology for early disease detection.