Nature - 2019.08.29

(Frankie) #1

reSeArCH Letter


extended data table 1 | Calculated thermal conductance


Columns 2–5 show the calculated thermal conductance of Au–alkanedithiol–Au single-molecule
junctions for four types of junction geometries, respectively JT1, JT2, JT3 and JT4. The entry in
column 1 shows the alkanedithiol molecule concerned. Junction geometries are either identical
to those shown in Extended Data Fig. 6 (for C10) or similar to them (C2–C8). Each terminal
sulphur atom attaches to a single Au tip atom for JT1, to two Au tip atoms for JT2 and JT3, or
to three Au tip atoms for JT4, while the electrodes are oriented along the (111) crystallographic
direction for JT1 and JT4, the (110) direction for JT2 or the (100) direction for JT3. The standard
deviation (column 6) indicates the variability of the thermal conductance as determined for each
molecule from the four different junctions types.

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