Research Article
Charge Density Analysis and Transport Properties of TTF Based Molecular Nanowires: A DFT Approach
Table 8
Laplacian of electron density maps of Au and S substituted TTF based molecule for the zero and maximum applied EF 0.20 VÅ−1. The contours are drawn in logarithmic scale, 3.0 × eÅ−5, where = 2, 4 and 8 × , = −2, −1, 0, 1, 2. Solid lines are positive contours and dotted lines are negative contours.
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