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

Table 7

Deformation density maps of Au and S substituted TTF based molecule for the zero and maximum applied EF 0.20 VÅ⁻¹. Solid lines represent positive contours, dotted lines are negative contours, and dashed lines are zero contours. The contours are drawn at 0.05 eÅ⁻³ intervals.

EF (VÅ^−1)	Deformation density
0.00
0.20