Phys. Chem. Chem. Phys.
 2024
DOI: 10.1039/d4cp00380b
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Two-dimensional Janus X2STe (X = B, Al) monolayers: the effect of surface selectivity and adsorption of small gas molecules on electronic and optical properties

Y. Zengin,
Y. Mogulkoc

Abstract: This investigation delves into the adsorption characteristics of CO, NO, NO2, NH3, and O2 on 2D Janus Group-III materials, specifically Al2XY and B2XY. The examination covers adsorption energies and heights,...

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