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. 2019 Apr 24;59(6):2741–2745. doi: 10.1021/acs.jcim.9b00114

Figure 3.

Figure 3

Typical example of a graphene oxidation simulation. The algorithm is described in the main text. A node is added at step 0. Pink regions represent oxidized regions. The simulation is stopped at step 20 768, when a continuously connected path can be made from one edge to its opposite, shown by the green line. δt = 10–5 s–1.