To summarize, we explored the possibility of using Cu(111)-based SAAs with dopants from 3d-5d transition metals as catalysts for direct methane conversion to produce C2 products, including ethane, ethylene, and acetylene. We started from assessing their stabilities by calculating the aggregation and segregation energies, ensuring that the dopant atoms remain singly dispersed on the surface of Cu(111). We identified 16 stable SAAs out of the 27 considered candidates. Several DFT-predicted stable SAAs have already been successfully synthesized in experimental studies, indicating the robustness of our computational methodologies in predicting SAA stability.