Hydrogen-free graphene edges

Kuang He, Gun-Do Lee, Alex W. Robertson, Euijoon Yoon and Jamie H. Warner ()
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Kuang He: University of Oxford
Gun-Do Lee: Seoul National University
Alex W. Robertson: University of Oxford
Euijoon Yoon: Seoul National University
Jamie H. Warner: University of Oxford

Nature Communications, 2014, vol. 5, issue 1, 1-7

Abstract: Abstract Graphene edges and their functionalization influence the electronic and magnetic properties of graphene nanoribbons. Theoretical calculations predict saturating graphene edges with hydrogen lower its energy and form a more stable structure. Despite the importance, experimental investigations of whether graphene edges are always hydrogen-terminated are limited. Here we study graphene edges produced by sputtering in vacuum and direct measurements of the C–C bond lengths at the edge show ~86% contraction relative to the bulk. Density functional theory reveals the contraction is attributed to the formation of a triple bond and the absence of hydrogen functionalization. Time-dependent images reveal temporary attachment of a single atom to the arm-chair C–C bond in a triangular configuration, causing expansion of the bond length, which then returns back to the contracted value once the extra atom moves on and the arm-chair edge is returned. Our results provide confirmation that non-functionalized graphene edges can exist in vacuum.

Date: 2014
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DOI: 10.1038/ncomms4040

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