Geometry, stability and thermal transport of hydrogenated graphene nanoquilts

ZW Zhang and YE Xie and Q Peng and YP Chen, SOLID STATE COMMUNICATIONS, 213, 31-36 (2015).

DOI: 10.1016/j.ssc.2015.04.014

Geometry, stability, and thermal transport of graphene nanoquilts folded by hydrogenation are studied using molecular dynamics simulations. The hydrogenated graphene nanoquilts show increased thermodynamic stability and better transport properties than folded graphene structures without hydrogenation. For the two-fold graphene nanoquilt, both geometry and thermal conductivity are very sensitive to the adsorbed hydrogen chains, which is interpreted by the red-shift of PDOS. For the multi-fold nanoquilts, their thermal conductivities can be tuned from 100% to 15% of pristine graphene, by varying the periodic number or length. Our results demonstrated that the hydrogenated graphene nanoquilts are quite suitable to be thermal management devices. (C) 2015 Elsevier Ltd. All rights reserved.

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