engleski

The Prospects for an Experimental Realization of Two-Dimensional Aluminum Allotropes

Since the discovery of graphene, a number of atomically thin monoelemental materials have been predicted and also synthesized, while others wait for an experimental realization. Motivated by a possible application potential, owning to the properties of its bulk counterpart, in this study we predict the possible two‐dimensional allotropes of a monolayer aluminum, called aluminene, and the conditions in which the aluminene could be synthesized in a laboratory. The allotropic modifications considered were planar, buckled, puckered and triangular. Using the ab initio calculations, planar and triangular structures demonstrate that, under certain imposed strain on the monolayer, they possess the appropriate cohesive energies and lattice dynamics. The surface of Cu (111) and graphene are found to be the suitable substrates that stabilize the phonon dynamics of the monolayers. The studied allotropes are proven to be stable with respect to the thermal effects at room temperature and preserve good thermal properties (specific heat) of bulk aluminum. The STM images are simulated to assist the experimental realization and characterization of aluminene.

two-dimensional materials, aluminum, structural stability, strain engineering, density functional theory

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