Nanoindentation of Plumbene and Comparison of Its Physical Properties with Other 2D Materials: A MD Simulation Study

Abstract

Two-dimensional (2D) materials have drawn the attention of scientists and researchers for their noteworthy properties. Earlier researchers estimated physical properties (theoretical density, coordination number, atomic packing factor, solubility parameter, and surface free energy) of low-dimensional materials using analytical modeling and experiments. In this paper, we have evaluated the physical properties of plumbene, the 2D allotrope of lead, and compared them with those of other 2D materials, using predictive modeling. The hardness of plumbene is also studied here by the nanoindentation technique. Variations of solubility parameter and surface free energy of these nanomaterials with sample dimensions and temperature are also investigated. The effects of varying temperature, contact area of the indenter, and indenter force on the hardness of plumbene are accounted for too. Our obtained results show that plumbene has the highest packing efficiency and theoretical density among all other 2D materials compared. Therefore, plumbene can claim the designation of the most workable 2D material, and also, it has potential applications in solid oxide fuel cells. Silicene and germanene can be potential materials for adhesives and coatings. This is the first ever attempt to estimate the scratch and abrasive resistance (hardness) properties of plumbene.