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Beilstein J. Nanotechnol. 2015, 6, 2332–2337, doi:10.3762/bjnano.6.240
Figure 1: Schematic of the proposed molecular switch, where the asymmetric rotor blade is terminated at one e...
Figure 2: The potential energy profile, UBSC (eV), calculated from the changes in the total energy of the sys...
Figure 3: (a) The molecular structure within the junction. (b) A contour plot of the local density of states ...
Figure 4: The weighted current (blue curve) from Equation 5 and the NDR (green curve, dI/dV) for applied bias between 0...
Beilstein J. Nanotechnol. 2015, 6, 1413–1420, doi:10.3762/bjnano.6.146
Figure 1: Porphyrin SET molecular structure. a) Porphyrin molecule with butterfly backbone, b) the device str...
Figure 2: a) HOMO−1, b) HOMO, c) LUMO and d) LUMO+1 state iso-surfaces.
Figure 3: Molecular and electronic structure of the EBG electrodes. a) Molecular orbital iso-surfaces, b) ban...
Figure 4: Conductance, G/G0, as a function of the Fermi energy, EF, of the EBG electrodes shown in Figure 1b.
Figure 5: Nonequilibrium I–V characteristic of the PM–EBG device.
Figure 6: Tight-binding model of the PM–EBG device. (a) Schematic of the simplified device for tight-binding ...
Figure 7: Thermal properties of the PM–EBG device. Thermopower (blue) and thermal conductance (green) as a fu...
Beilstein J. Nanotechnol. 2015, 6, 1176–1182, doi:10.3762/bjnano.6.119
Figure 1: Geometry of the graphene-based structures, (a) monolayer graphene ribbon, (b) monolayer graphene na...
Figure 2: (a) Transmission coefficient T(E); (b,c) electrical and thermal conductance (G, κ), (d,e) Peltier (...
Figure 3: (a) Transmission coefficient T(E); (b) electrical conductance (G), (c) Peltier (П) coefficient, (d)...
Figure 4: (a) Ideal step function like transmission coefficient T(E) asymmetric around Fermi energy (E = 0), ...
Figure 5: The variation of room-temperature values of ZTe, GS2T, S and κ as a function of the Fermi energy EF...
Figure 6: The variation of room-temperature values of ZTe, GS2T, S and κ as a function of EF for zigzag bilay...