H2S sensing and SO2 removal utilizing 2D polyaramid: A DFT study

Key Points

• Effective H2S sensing observed with enhanced accuracy using 2D polyaramid, indicating promising applications.
• SO2 removal rates surpassed initial expectations, highlighting the material's efficiency in gas purification.
• Employing density functional theory, the study examines adsorption energy and intermolecular interactions.
• The findings may inspire further research into advanced materials for environmental remediation tasks.