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- W2320462387 startingPage "13769" @default.
- W2320462387 abstract "In the growth of polycrystalline graphene via chemical vapor deposition, grain boundaries (GBs) were shown to be energetically favorable sites for hydrogenation. Thus, it is of both scientific interest and technological significance to understand how hydrogenation on GBs affects the mechanical properties of polycrystalline graphene. Here we perform molecular dynamics simulations to investigate the mechanical properties of hydrogenated polycrystalline graphene. Our simulations reveal that the fracture strength of hydrogenated polycrystalline graphene is significantly reduced by the combined weakening effect of bond prestraining in highly defective GBs and sp3 hybridization of hydrogenated GB atoms. In addition, this reduction in fracture strength due to GB hydrogenation is observed in polycrystalline graphene samples of different grain sizes ranging from 2.5 to 10 nm. Our findings show that the loss of mechanical strength due to GB hydrogenation must be taken into account in the application of polycrystall..." @default.
- W2320462387 created "2016-06-24" @default.
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- W2320462387 date "2014-06-13" @default.
- W2320462387 modified "2023-09-26" @default.
- W2320462387 title "Hydrogenated Grain Boundaries Control the Strength and Ductility of Polycrystalline Graphene" @default.
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- W2320462387 doi "https://doi.org/10.1021/jp502084f" @default.
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