Structure manipulation of graphene by hydrogenation

CD Reddy and YW Zhang, CARBON, 69, 86-91 (2014).

DOI: 10.1016/j.carbon.2013.11.062

Chemical functionalization is one of the most promising routes to manipulate the electronic properties of graphene. Through single-sided hydrogenation on graphene, quantized specific bending angles (from 00 to 180) can be obtained, thus providing a controllable knob to tune the hydrogenated structure. Using molecular dynamics simulations, we show that hydrogenation can be used to manipulate graphene into a variety of well-defined geometrical configurations by precisely controlling the size, location and direction of hydrogenation. This work suggests that hydrogenation is a possible route to achieve complex structures without cutting or joining process during graphene-based nanoelectronic device fabrication. (C) 2013 Elsevier Ltd. All rights reserved.

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