Figure 4
From: Structure modulated charge transfer in carbon atomic wires
(a) Plot of the DFT computed values of Eion (see Methods section) for the systems investigated (b). Balls and sticks model of the DFT-simulated charge distribution (CHELPG partial atomic charges) of the TCBD moiety of C6/TCBD. Numbers written in black are the partial atomic charges of the neutral molecule, while the red ones are those of the negatively charged molecule.
