Graphene Nanoscrolls via Electric-Field-Induced Transformation of Water-Submerged Graphene Nanoribbons for Energy Storage, Nanofluidic, and Nanoelectronic Applications

Abstract

Nanoscroll is a rolled-up sheet of nanoribbon resembling a spiral papyrus-like multilayer structure, having a broad range of applications from gas and energy storage to nanofluidic and nanoelectronic devices. However, the existing methods of fabrication suffer from complex processing, high energy consumption, abundant impurities, and/or hybrid nanostructures, rendering them insufficient to fabricate scalable and high-quality nanoscrolls. Here, we predict that a graphene nanoribbon self-assembles into a nanoscroll under the influence of an external rotating electric field. Using molecular dynamics simulation, we show that electric-field-induced alignment of water dipoles originates rotation in a water-submerged graphene nanoribbon. On the basis of this principle, we propose a setup for nanoscroll formation from water-submerged graphene nanoribbon where one end of the nanoribbon is kept fixed, while the other end orients itself with the rotating electric field and, eventually, self-assembles into a nanoscroll. The nanoscroll is found to be energetically more stable than the initial configuration and retains its stability on removal of the external field as well as the aqueous environment. Findings from concentration profiles of the nanoscroll further confirm the stability as well as uniformity of its morphology. The formation mechanism is found to be minimally dependent on the applied field’s strength and frequency. The proposed method can be used to induce self-assembly of any nanoribbon structure independent of its dimensions and chirality and multilayer nanoribbons as well as to form nanotemplate encapsulated core/shell composites. The proposed method would enable large-scale realization of high-quality nanoscrolls from nanoribbons, facilitating fundamental and applied research on nanomaterials.

Multilayer Graphene—A Promising Electrode Material in Liquid Cell Electrochemistry

“…[ 49 ] Theoretical works attribute the field‐induced increase in wettability to the reorientation of dipoles along the applied electric field direction so as to attain a more energetically stable state and maximize hydrogen bond formation during water polarization. [ 50 ] Our in situ observations in Figure 3 are consistent with this picture. On mildly hydrophobic surfaces like graphene, [ 51 ] the dissolved metal ions tend to diffuse to the hydrophobic interface where they displace the water molecules to reduce the free energy and allow metal deposition on the surface.…”

Droplet Rolling Transport on Hydrophobic Surfaces Under Rotating Electric Fields: A Molecular Dynamics Study

“…Rotating electric fields have been widely used in many fields as an effective means of manipulating micro- and nanoscale fluids. The actuation of dipole molecules by rotating electric fields can power nanomotors or molecular motors. − In the biomedical field, rotating electric fields can be used to rotate cells, capsules, and micro- and nanobiological machines. − In other aspects, the rotating electric fields can also be used for electropumping of water in nanochannels, − curling of graphene nanoribbons, and colloidal particle self-assembly, − etc.…”

Directed assembly of barium titanate nanopeapods via solvothermal processing with a mixed surfactant system

“…Two-dimensional nanostructures have been sought for a variety of reasons including the formation of nanocomposites with 0D nanoparticle materials to develop novel structures with unique properties [1][2] and surface functionalisation [3][4]. It is known that certain nanosheets have the ability to form scrolls and that these 1D nanoscroll (NSc) structures have a range of applications in advanced materials and assembly [5][6][7][8][9]. Some examples of compounds that can scroll include TiO 2 [10], graphene [11], WS 2 [12], V 2 O 5 [13], K 4 Nb 6 O 17 [1] and Ruddlesden-Popper [14] and Dion-Jacobson [15] perovskites.…”