Theoretical and Experimental Insights into the Chemiresistive Sensing Response of Graphene Quantum Dots: The Role of Oxygen Functional Groups.

ABSTRACT: Developing sensitive sensors to trimethylamine (TMA) remains a topic of great interest in areas such as food quality analysis and disease biomarkers. To address this issue, chemiresistive sensors were proposed using graphene quantum dots (GQDs) with different proportions of hydroxyl (GQDs-OH), epoxy (GQDs-epoxy), and carboxyl (GQDs-COOH) groups. These materials exhibited different sensitivities to TMA, with GQDs-OH being the most sensitive, presenting a detection limit of 0.3 ppm and a response of about 4 and 2.5 times higher than those of GQDs-COOH and GQDs-Epoxy, respectively. This difference in sensitivity was elucidated by building, based on density functional theory calculations, potential energy curves of the interaction between TMA and three GQD models. Noncovalent interaction and a

SUBMITTER: Sampaio BS 

PROVIDER: S-EPMC11886424 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature