Stability of a Rolled-Up Conformation State for Two-Dimensional Materials in Aqueous Solutions

Abstract

Two-dimensional (2D) materials can roll up, forming stable scrolls under suitable conditions. However, the great diversity of materials and fabrication techniques has resulted in a huge parameter space significantly complicating the theoretical description of scrolls. In this Letter, we describe a universal binding energy of scrolls determined solely by their material parameters, the bending stiffness, and the Hamaker coefficient. Aiming to predict the stability of functionalized scrolls in water solutions, we consider the electrostatic double-layer repulsion force that may overcome the binding energy and flatten the scrolls. Our predictions are represented as comprehensive maps indicating the stable and unstable regions of a rolled-up conformation state in the space of material and external parameters. While focusing mostly on functionalized graphene in this work, our approach is applicable to the whole range of 2D materials able to form scrolls.