Journal
NANO LETTERS
Volume 9, Issue 8, Pages 2996-3000Publisher
AMER CHEMICAL SOC
DOI: 10.1021/nl901419g
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- Deutsche Forschungsgemeinschaft
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The biconformational switching of single cyclooctadiene molecules chemisorbed on a Si(001) surface was explored by quantum chemical and quantum dynamical calculations and low-temperature scanning tunneling microscopy experiments. The calculations rationalize the experimentally observed switching driven by inelastic electron tunneling (IET) at 5 K. At higher temperatures, they predict a controllable crossover behavior between IET-driven and thermally activated switching, which is fully confirmed by experiment.
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