Abstract
Conventional three-dimensional crystal lattices are terminated by surfaces, which can demonstrate complex rebonding and rehybridisation, localised strain and dislocation formation. Two-dimensional crystal lattices, of which graphene is the archetype, are terminated by lines. The additional available dimension at such interfaces opens up a range of new topological interface possibilities. We show that graphene sheet edges can adopt a range of topological distortions depending on their nature. Rehybridisation, local bond reordering, chemical functionalisation with bulky, charged, or multi-functional groups can lead to edge buckling to relieve strain, folding, rolling and even tube formation. We discuss the topological possibilities at a two-dimensional graphene edge, and under what circumstances we expect different edge topologies to occur. Density functional calculations are used to explore in more depth different graphene edge types.
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Acknowledgements
This work has been carried out within the NANOSIM-GRAPHENE project \(\hbox{n}^{\circ}\)ANR-09-NANO-016-01 funded by the French National Agency (ANR) in the frame of its 2009 programme in Nanosciences, Nanotechnologies and Nanosystems (P3N2009). We thank the COST Project MP0901 “NanoTP” for support.
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Ivanovskaya, V.V., Wagner, P., Zobelli, A., Suarez-Martinez, I., Yaya, A., Ewels, C.P. (2012). Graphene Edge Structures: Folding, Scrolling, Tubing, Rippling and Twisting. In: Ottaviano, L., Morandi, V. (eds) GraphITA 2011. Carbon Nanostructures. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-20644-3_10
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DOI: https://doi.org/10.1007/978-3-642-20644-3_10
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