Table 2: , , chemical potential ( ), global chemical hardness ( ), number of electrons transferred ( ), and inhibition efficiency (IE%) for the three dyes molecules in gas phase.

(eV) (eV) (eV) N (e)η (eV)IE (%)

IB−4.98−3.73−4.362.110.6375.54a
MB−4.52−3.63−4.083.280.4561.54b
CV−3.87−2.87−3.373.630.5056.70c

a[28]; b[29]; c[32].