Skip to main content

Advertisement

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]

From: Graphene’s cousin: the present and future of graphane

  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
  1. 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.