In this study, the adsorption capabilities and gas detection sensitivities of Janus-like 2D materials based on boron and aluminum chalcogenides (BAlX \(_{2}\) , where X = S, Se, and Te) are investigated using density functional theory (DFT) calculations. While significant research has focused on the mechanical, electronic, thermal, and optoelectronic properties of indium- and gallium-based chalcogenides, boron- and aluminum-based variations remain largely unexplored. Given their potential for applications in nanoelectronics, optoelectronics, thermoelectric nanocomposites, and photocatalysis, this research aims to fill the knowledge gap by evaluating the interaction of these materials with various gas molecules, including CO, O \(_{2}\) , NO, NO \(_{2}\) , and NH \(_{3}\) , using DFT simulations. By analyzing changes in electronic properties and electron current densities upon adsorption, the study identified BAlTe \(_{2}\) as a promising candidate, showing an enhanced sensitivity for detecting NO \(_{2}\) . These findings, obtained through DFT-based analysis, highlight the potential of BAlX \(_{2}\) materials in environmental monitoring and gas detection applications.
