TY - JOUR A1 - Nacci, Christophe A1 - Foelsch, Stefan A1 - Zenichowski, Karl A1 - Dokic, Jadranka A1 - Klamroth, Tillmann A1 - Saalfrank, Peter T1 - Current versus temperature-induced switching in a single-molecule tunnel junction : 1,5 cyclooctadiene on Si(001) N2 - 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. Y1 - 2009 UR - http://pubs.acs.org/journal/nalefd U6 - https://doi.org/10.1021/Nl901419g SN - 1530-6984 ER -