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Beilstein J. Nanotechnol. 2017, 8, 2060–2068, doi:10.3762/bjnano.8.206
Figure 1: a,b) Front and side view of the NHC attached to clean electrode terminations (C structure). c,d) Fr...
Figure 2: a) Left and right spectral functions at 0 V for a clean NHC (C, structure shown in Figure 1a,b) and with a NH...
Figure 3: Shift of HOMO, LUMO and NH2 states with respect their equilibrium position as a function of the app...
Figure 4: a–f) Populations of all vibrational modes at 0.2, 0.6 and 1.2 V for the junction with (CA) and with...
Figure 5: Energy stored in the mode at = 176 meV as a function of applied bias for the C and CA junctions, a...
Figure 6: Change in energy stored in each vibrational mode when setting the contributions of the NH2 group to...
Beilstein J. Nanotechnol. 2017, 8, 1073–1079, doi:10.3762/bjnano.8.109
Figure 1: (a) (200 × 200 nm2) High-resolution STM image (Ub = −0.5 V, Is = 0.3 nA) of Au (111) after depositi...
Figure 2: (a) (14 × 14 nm2) STM image (Ub = −2.5 V, Is = 0.3 nA) of a fullerene island before Ar+ bombardment...
Figure 3: Top and side views of the computed structure of C59 structural isomers. Carbon atoms around the vac...
Figure 4: (a) Unit cell used in the calculations. (b) Top and side views of the 8,5-isomer with the single va...
Figure 5: Calculated DOS of fullerenes with and without vacancy defects adsorbed on Au(111). In the case of d...