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First Principles Calculations of Hydrogen Storage on Calcium Decorated, Boron Doped Bilayer Graphene

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Figure

Figure 1. Typical configurations of bilayer graphene.
Figure 2. The density of states (DOS) for Pristine graphene and B-doped graphene.
Figure 4. The side view of five different structures of calcium-decorated bilayer graphene (The grey represents C, green for B, and blue for Ca)
Figure 5. (a) (b) show a top view and the side view of the bilayer graphene by adsorbing a hydrogen molecule, respectively (violet represents a hydrogen atom, gray represents a carbon atom, blue represents a calcium atom, green represents a boron atom)
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