Exploring sensing potential of Sc 2 CO 2 and Sc 2 CO 2 /WSe 2 heterostructure towards volatile organic compounds of standard food products by first-principles Density Functional Theory calculations

Key Points

• To explore the sensing potential of Sc2CO2 and Sc2CO2/WSe2 heterostructure towards volatile organic compounds in standard food products.
• Applied Density Functional Theory calculations
• Analyzed heterostructure properties
• Examined interactions with VOCs
• Considered standard food product degradation stages
• Identified effective sensing capabilities of the heterostructure
• Demonstrated potential for detecting compounds such as acetone and ethanol
• Showed variations in sensing responses based on VOC type