Prospects for experimental realization of two- dimensional aluminium allotropes
| Autor: | Matko Mužević, Maja Varga Pajtler, Sanjeev K. Gupta, Igor Lukačević |
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| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
Materials science
Phonon Graphene Ab initio chemistry.chemical_element 02 engineering and technology General Chemistry 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Characterization (materials science) law.invention Nanomaterials Strain engineering chemistry Chemical physics Aluminium law Monolayer Materials Chemistry 0210 nano-technology aluminium 2D materials substrates density functional theory |
| Popis: | Following the example of graphene, recent studies discovered a number of atomically thin monoelemental materials. Many of them were synthesized, while some of them still await their experimental realization. Motivated by the huge application potential, inherited from its bulk counterpart, the present study concerns the conditions under which the aluminium monolayer, aluminene, could be synthesized in the laboratory for the first time. We start by considering four different allotropic modifications: planar, buckled, triangular and puckered. The study shows that planar and triangular allotropes can be stabilized by strain engineering imposed upon the monolayer. Ab initio simulations show that these allotropes have appropriate cohesive energies and stable lattice dynamics. We discover that Cu(111) and graphene can act as suitable substrates for the synthesis of aluminene. Substrate– monolayer interaction causes the necessary in-plane strain to stabilize the phonon dynamics. The studied aluminene allotropes are stable with respect to thermal effects at room temperature. STM images are simulated to facilitate future experimental characterization of aluminene. Aluminene preserves the good thermal properties (specific heat) of aluminium, further advancing its application as an ultra-thin thermal insulator or heatsink. The study will stimulate experimental studies focused on both nanomaterial synthesis and applications of atomically-thin aluminium layers. This is key research for future aluminium-based nanoscience. |
| Databáze: | OpenAIRE |
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