First-principles insights into Pd and Rh functionalization of Janus Ga2SSe monolayers for enhanced sensing of toxic industrial gases

Functionalization with Pd or Rh atoms leads to strong chemisorption of Janus Ga 2 SSe toward toxic industrial gases, and significantly enhances sensitivity, positioning Pd/Rh-Ga 2 SSe monolayers as potential reusable sensors for Cl 2 and NH 3 detection.