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• W2580450124 abstract "Based on ab initio calculations, we study the effect of intercalating twisted bilayer graphene with carbon. Surprisingly, we find that the intercalant pulls the atoms in the two layers closer together locally when placed in certain regions in between the layers, and the process is energetically favorable as well. This arises because in these regions of the supercell, the local environment allows the intercalant to form tetrahedral bonding with nearest atoms in the layers. Intercalating AB- or AA-bilayer graphene with carbon does not produce this effect; therefore, the nontrivial effect owes its origin to both using carbon as an intercalant and using twisted bilayer graphene as the host. This opens new routes to manipulating bilayer and multilayer van der Waals heterostructures and tuning their properties in an unconventional way." @default.
• W2580450124 created "2017-02-03" @default.
• W2580450124 creator A5054624006 @default.
• W2580450124 creator A5062930830 @default.
• W2580450124 date "2017-08-01" @default.
• W2580450124 modified "2023-09-25" @default.
• W2580450124 title "Tetrahedral bonding in twisted bilayer graphene by carbon intercalation" @default.
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• W2580450124 doi "https://doi.org/10.1140/epjb/e2017-80141-5" @default.
• W2580450124 hasPublicationYear "2017" @default.
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