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. 2017 Sep 7;7:10850. doi: 10.1038/s41598-017-10534-4

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© The Author(s) 2017

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Metal atom incorporated Graphene structure models used for DFT and Bader charge calculations. (a) Graphene sheet interacting with Zn atom at the edge site, (b) electron density difference plot of Zn-edge interacting graphene sheet, (c) graphene sheets interconnected through zinc atom, (d) electron density difference plots of graphene sheets interconnected with zinc atom. It provides the theoretical evidence for the interconnection process and the electron density difference plots show the sharing of charges in the interconnection process.