Charge Density Analysis and Transport Properties of TTF Based Molecular Nanowires: A DFT Approach

Table 10

Molecular electrostatic potential of Au and S substituted TTF based molecule for the zero and various applied EFs. Blue: positive potential (0.5 eÅ⁻¹), red: negative potential (−0.04 eÅ⁻¹).

EF (VÅ^−1)	Electrostatic potential
0.00
0.08
0.12
0.20