In this article, we report band structure studies of zigzag graphene nanoribbons (ZGNRs) on introducing defects (sp_3 hybridized carbon atoms) in different concentrations at edges by varying the ratio of sp_3 to sp_2 hybridized carbon atoms. On the basis of theoretical analyses, band gap values of ZGNRs are found to be strongly dependent on relative arrangement of sp3 to sp2 hybridized carbon atoms at the edges for a defect concentration; so the findings would greatly help in understanding band gap of nanoribbons for their electronic applications.
@article{arxiv.1802.09831,
title = {Effect of edge defects on band structure of zigzag graphene nanoribbons},
author = {Payal Wadhwa and Shailesh Kumar and T. J. Dhilip Kumar and Alok Shukla and Rakesh Kumar},
journal= {arXiv preprint arXiv:1802.09831},
year = {2018}
}
Comments
10 pages, 6 figures, Accepted in Journal of Applied Physics