Table 1
Modified Morse potential variables and parameters
Parameter	Value	Description
r (m)	-	Length of C-C bond
ro (m)	0.1421 × 10−9	Equilibrium C-C bond distance in graphene
ε	(r − ro) / ro	Strain in C-C bond
De (Nm)	6.03105 × 10−19	Dissociation energy
β (m−1)	2.625 × 1010	Constant controlling the ‘width’ of the potential
θ (rad)	-	Current angle of the adjacent bond
θo (rad)	2.094	Initial angle of the adjacent bond
kθ (Nm/rad2)	0.9 × 10−18	Force constant for bond bending
ksextic (rad−4)	0.754	Constant in bending term of potential

Parashar and Mertiny Nanoscale Research Letters 2012 7:595   doi:10.1186/1556-276X-7-595