Table 1

Predicted energy per atom in unit cell, cell parameter values, and carbon-carbon distances for graphene and chair-like and boat-like graphane, respectively [60]
Graphene G-chair G-boat
Energy (Ha) (1 Ha = 27.211 eV) -304.68 -309.41 -309.38
Lattice parameters: a (Ǻ) 2.465 2.540 4.346
b (Ǻ) 2.465 2.540 2.509
γ () 120 120 90
C-C bond length (Ả) 1.423 1.537 1.581, 1.537

Note, lattice constant (or called the lattice constant) means the cell length, namely each parallelepiped unit side, he is the crystal structure of an important basic parameters.

Zhou et al.

Zhou et al. Nanoscale Research Letters 2014 9:26   doi:10.1186/1556-276X-9-26

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