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Title: Electromechanics of graphene spirals

Among the most fascinating nanostructure morphologies are spirals, hybrids of somewhat obscure topology and dimensionality with technologically attractive properties. Here, we investigate mechanical and electromechanical properties of graphene spirals upon elongation by using density-functional tight-binding, continuum elasticity theory, and classical force field molecular dynamics. It turns out that electronic properties are governed by interlayer interactions as opposed to strain effects. The structural behavior is governed by van der Waals interaction: in its absence spirals unfold with equidistant layer spacings, ripple formation at spiral perimeter, and steadily increasing axial force; in its presence, on the contrary, spirals unfold via smooth local peeling, complex geometries, and nearly constant axial force. These electromechanical trends ought to provide useful guidelines not only for additional theoretical investigations but also for forthcoming experiments on graphene spirals.
Authors:
;  [1]
  1. NanoScience Center, Department of Physics, University of Jyväskylä, 40014 Jyväskylä (Finland)
Publication Date:
OSTI Identifier:
22420205
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Advances; Journal Volume: 4; Journal Issue: 12; Other Information: (c) 2014 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY; DENSITY FUNCTIONAL METHOD; ELASTICITY; ELECTROMECHANICS; GRAPHENE; HYBRIDIZATION; INTERACTIONS; MOLECULAR DYNAMICS METHOD; NANOSTRUCTURES; VAN DER WAALS FORCES