Fig. 4. Electrostatic potential mapped onto the total electron density of fullerenes. Isometric scale bar values are shown in blue (positive) and red (negative) for (a) pristine fullerene +/− 6.488 × 10−2 [eV], (b) fullerene modified with copper atoms exhibiting increased polarization and repulsive interactions with the carbon framework, with an isometric scale bar of +/− 4.52 × 10−2 [eV], and (c) fullerene modified with silver atoms also showing increased polarization and repulsive interactions with the carbon framework, with an isometric scale bar of +/− 3.594 × 10−2 [eV].
