Abstract
It may cause more novel physical effects that the combination with in-plane defects induced by grain boundaries (GBs) and quasi three-dimensional system induced by oxidation functional group. Different from those in blocks, these new physical effects play a significant role in the mechanical properties and transport behavior. Based on the configuration design, we investigate the in-plane and out-plane geometric deformation caused by the coupling of GBs and oxygen-containing functional groups and establish a mechanical model for the optimal design of the target spatial structure. The results show that the strain rate remarkably affect the tensile properties of polycrystalline graphene oxide (PGO). Under high oxygen content (R = 50%), with the increasing strain rate, the PGO is much closer to ductile fracture, and the ultimate strain and stress will correspondingly grow. The growth of temperature reduces the ultimate stress of PGO, but the ultimate strain remains constant. When the functional groups are distributed at the edge of the GBs, the overall strength decreases the most, followed by the distribution on the GBs. Meanwhile, the strength of PGO reaches the greatest value when the functional groups are distributed away from the GBs.
Highlights
Graphene is a two-dimensional material with single-layer atom thickness, composed of sp2 hybridized carbon atoms
Due to the loss of the buffer of functional groups, the ultimate stress will be lower than the polycrystalline graphene oxide (PGO) model, in which the functional groups are distributed at the Grain boundaries (GBs)
The strain rate greatly affects the mechanical properties of PGO under tension
Summary
Graphene is a two-dimensional material with single-layer atom thickness, composed of sp hybridized carbon atoms. Large-scale prepared graphene using existing technology often has various defects, such as vacancy defects, dislocation defects, Stone-Wales defects, and so on These defects affect the mechanical properties of graphene. By connecting oxygen-containing functional groups such as hydroxyl, epoxy, and carboxyl groups on both sides of the graphene sheets, the dispersibility, hydrophilicity, and reactivity are improved significantly This makes the graphene composite with other materials better, improving the mechanical properties. This paper combined GBs and oxygen-containing functional groups and established a new polycrystalline graphene oxide (PGO) model. By studying the different distributions of functional groups, we revealed the effects of defects coupling on the mechanical properties of PGO, in order to make it possible to create unprecedented physical characteristics by using a mixed dimension (combination of sp and sp3 ) space design in the future
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