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. 2020 Mar 26;11:1566. doi: 10.1038/s41467-020-15381-y

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© The Author(s) 2020

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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Fig. 1 — Semiordered (SO, top) and random (R, bottom) models of graphene oxide generated and studied as part of this work. Each material is designed according to a 25% O/C functionalization rate, and the oxygen-bearing groups are hydroxyls and epoxides with a 2:1 ratio. Gray hexagons are a guide for the eye, indicating the areas of pristine graphene, where no chemical function is grafted. Double C=C bonds are not drawn as double bonds, for the sake of clarity. All the configurations are represented as a 2 × 2 supercell of the graphene oxide model (the cell size is indicated in dotted lines on the top-left panel). Numbering of the models corresponds to Table 1. Intramolecular hydrogen bonds in GO are indicated by light-blue dotted lines, and the special reactive motif of three consecutive hydroxyl groups in the semiordered 4 model is colored in light green.