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(a) STM image of sample for comparative measurement of conductance of single molecules. Image width 8 nm, , . (b) and (c) Schematic top view of the adsorbed and , respectively.
Conductance traces measured with the same STM tip on and as a function of tip-molecule distance. In the contact regime the conductance of is ≈5 times lower than that of .
[(a)–(d)] DFT calculations of on Cu(111). (a) Minimum energy configuration. (b) Localized, and (c) delocalized orbitals at 0.306 and 1.573 eV above . (d) Partial density of states for Ce and cage C atoms. At energy around 0.3 eV where the conductance measurements are performed [arrow in (e)] electron states localized on Ce dominate the spectrum. Electron states delocalized on the cage have energy . (e) DOS measured by STS on and on the clean substrate.
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