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 (rro) / 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

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

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