Stability limits of elemental 2D metals in graphene pores

TL;DR

This study uses computational methods to identify which elemental metals can form stable, large-area 2D patches within graphene pores, highlighting copper as a promising candidate for experimental realization.

Contribution

It systematically evaluates 45 metals to determine their stability and size limits in 2D metal patches within graphene, providing new insights into 2D metal stability.

Findings

Pores can stabilize metal patches up to ~8 nm².

Copper is identified as the most promising metal for stable 2D patches.

Results suggest potential for experimental synthesis of 2D metals.

Abstract

Two-dimensional (2D) materials can be used as stabilizing templates for exotic nanostructures, including pore-stabilized, free-standing patches of elemental metal monolayers. Although these patches represent metal clusters under extreme conditions and are thus bound for investigations, they are poorly understood as their energetic stability trends and the most promising elements remain unknown. Here, using density-functional theory simulations and liquid drop model to explore the properties of 45 elemental metal candidates, we identify metals that enable the largest and most stable patches. Simulations show that pores can stabilize patches up to $\sim 8$ nm$^2$ areas and that the most prominent candidate in a graphene template is Cu. The results, which are generalizable to templates also beyond graphene, provide encouragement for further, even more resolute experimental pursuit of 2D metals.