Noncovalent passivation of supported phosphorene for device applications: from morphology to electronic properties

An interface between poly(methyl-methacrylate) PMMA-supported phosphorene and layers of linear alkane chains has been studied computationally to reveal an efficient route to noncovalent passivation in terms of the effective coverage of surface area. The formation of strongly ordered compact planar aggregates of alkanes driven by the anisotropy of the phosphorene surface greatly improves the packing at the interface. Small mechanical deformations of the phosphorene structure induced by the interaction with PMMA substrate, a polymer dielectric material, do not alter substantially the mechanical, electronic properties of phosphorene. This indicates remarkable possibilities of using alkanes for prevention of phosphorene from surface degradation phenomena and suggests new technological routes for the fabrication of phosphorene-based electronic devices