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. 2015 Aug 20;6:8029. doi: 10.1038/ncomms9029

Figure 3. Elastic, plastic and failure analysis of graphene oxide (GO).

Figure 3

(a) Comparison of elastic moduli predicted by density functional theory (adopted from ref. 15) and density functional-based tight-binding (DFTB) for GO with increasing ϕ with experimental results for graphene (that is, ϕ=0) from ref. 1, GO with ϕ=0.2 from ref. 6, and GO with ϕ=0.7 (this study). (b) Comparison of ultimate and activation stresses predicted by molecular mechanics with values reported for graphene (three-dimensional stress was converted by assuming a GO thickness of h=0.75 nm), GO with ϕ=0.2 and GO with ϕ=0.7. Molecular dynamics predictions of ultimate and activation stresses for GO with ϕ=0.7 are also plotted. Hollow and solid symbols represent DFTB predictions and experimental results, respectively. Error bars in a and b refer to s.d.'s.