Interfacial engineering based on an Al₂CO and SiC heterostructure to explore the gas sensing mechanism using first-principles strategies.

ABSTRACT: Two-dimensional (2D) materials and their van der Waals (vdW) heterostructures have been considered promising for application as gas detecting devices owing to their distinct physical and chemical characteristics. In this work, we theoretically investigated Al₂CO/SiC heterostructure using semiconductor SiC as a substrate by density functional theory (DFT) calculations to explore its potential for outstanding performance. Our research focused on the comparative analysis of the adsorption properties of six gas molecules (H₂, NH₃, SO₂, NO, O_2, and H₂O) with SiC and its heterostructure. The structural properties, electronic properties, charge transfer mechanism, dynamic and thermal stabilities of the heterostructure were investig

SUBMITTER: Majid A 

PROVIDER: S-EPMC12477669 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature