Extended Data Fig. 6: Influence of the contact geometry on computed phonon transmission for Au–C10–Au single-molecule junctions. | Nature

Extended Data Fig. 6: Influence of the contact geometry on computed phonon transmission for Au–C10–Au single-molecule junctions.

From: Thermal conductance of single-molecule junctions

Extended Data Fig. 6

a, Different junction types that are used to evaluate the effect of contact geometry on the phonon transmission functions. Each terminal sulphur atom in the junction is attached to a single Au tip atom (JT1), to two Au tip atoms (JT2, JT3) or to three Au atoms (JT4). In these geometries, electrodes are oriented along the (111) crystallographic direction (JT1, JT4), the (110) direction (JT2) and the (100) direction (JT3). b, Phonon transmission as a function of energy for the different junction geometries illustrated in a.

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