Exploring an n-type conducting polymer (BBL) as a potential gas sensing material for NH₃ and H₂S detection.

ABSTRACT: Conducting polymers (CPs) have garnered significant interest in being used as an active material in gas sensors mainly because of their structural flexibility, ease of synthesis, and enhanced performance at room temperature. The p-type CPs and their composites are mostly studied in gas sensing, which, unfortunately, exhibit limitations in terms of selectivity, stability, and sensitivity toward reducing gases. This study focuses on one of the widely studied n-type polymers, BBL(benzimidazobenzophenanthroline), as an active material for the detection of two reducing gases, namely, hydrogen sulfide (H[Formula: see text]S) and ammonia (NH[Formula: see text]), theoretically. Through molecular dynamics (MD) simulation and density functional theory (DFT) approach, we understand the adsorption beh

SUBMITTER: Sunny S 

PROVIDER: S-EPMC11950291 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature