Gas Sensing Properties of Pt- and Rh-Decorated InS Monolayer Towards Toxic Industrial Gases: A First-Principles Study.

ABSTRACT: The development of highly sensitive gas sensors for toxic industrial gases (TIGs) is paramount for environmental monitoring and public safety. Here, the first-principles calculations were employed to systematically investigate the potential of Pt- and Rh-decorated InS (Pt-InS and Rh-InS) monolayers as advanced gas sensing materials for the five TIGs (SO₂, NH₃, NO, CO, and NO₂). The results reveal that Pt and Rh atoms can be stably anchored at the InS monolayer, inducing significant modulation of its electronic properties. The Pt-InS system exhibits strong chemisorption of NH₃ and CO, while the other TIGs interact via physisorption. In contrast, the Rh-InS monolayer demonstrates strong chemisorption and distinct electronic responses to all five ga

SUBMITTER: Li J 

PROVIDER: S-EPMC12693120 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature