We combine {\em ab initio} density functional theory (DFT) structural studies with DFT-based nonequilibrium Green function calculations to investigate how the presence of non-hexagonal rings affects electronic transport in graphitic structures. We find that infinite monolayers, finite-width nanoribbons and nanotubes formed of 5-8 haeckelite with only 5- and 8-membered rings are generally more conductive than their graphene-based counterparts. Presence of haeckelite defect lines in the perfect graphitic structure, a model of grain boundaries in CVD-grown graphene, increases the electronic conductivity and renders it highly anisotropic.
@article{arxiv.1502.07050,
title = {Electronic Structure and Transport in Graphene/Haeckelite Hybrids: An {\em Ab Initio} Study},
author = {Zhen Zhu and Zacharias G. Fthenakis and David Tomanek},
journal= {arXiv preprint arXiv:1502.07050},
year = {2015}
}