Metal-Cation-Induced Tiny Ripple on Graphene.

Abstract

Ripples on graphene play a crucial role in manipulating its physical and chemical properties. However, producing ripples, especially at the nanoscale, remains challenging with current experimental methods. In this study, we report that tiny ripples in graphene can be generated by the adsorption of a single metal cation (Na⁺, K⁺, Mg²⁺, Ca²⁺, Cu²⁺, Fe³⁺) onto a graphene sheet, based on the density functional theory calculations. We attribute this to the cation-π interaction between the metal cation and the aromatic rings on the graphene surface, which makes the carbon atoms closer to metal ions, causing deformation of the graphene sheet, especially in the out-of-plane direction, thereby creating ripples. The equivalent pressures applied to graphene sheets in out-of-plane direction, generated by metal cation-π interactions, reach magnitudes on the order of gigapascals (GPa). More importantly, the electronic and mechanical properties of graphene sheets are modified by the adsorption of various metal cations, resulting in opened bandgaps and enhanced rigidity characterized by a higher elastic modulus. These findings show great potential for applications for producing ripples at the nanoscale in graphene through the regulation of metal cation adsorption.