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000019029 084__ $$2WoS$$aChemistry, Physical
000019029 084__ $$2WoS$$aNanoscience & Nanotechnology
000019029 084__ $$2WoS$$aMaterials Science, Multidisciplinary
000019029 1001_ $$0P:(DE-Juel1)VDB95363$$aLennartz, M. C.$$b0$$uFZJ
000019029 245__ $$aIdentifying Molecular Orbital Energies by Distance-Dependent Transition Voltage Spectroscopy
000019029 260__ $$aWashington, DC$$bSoc.$$c2011
000019029 300__ $$a15025 - 15030
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000019029 440_0 $$016841$$aJournal of Physical Chemistry C$$v115$$x1932-7447$$y30
000019029 500__ $$3POF3_Assignment on 2016-02-29
000019029 500__ $$aThis work was funded by the DFG (Grant SPP1243). The computations were performed at JUROPA and JUGENE supercomputers at the Julich Supercomputer Centre, Forschungszentrum Julich, Germany.
000019029 520__ $$aBesides current-voltage spectroscopy, also transition voltage spectroscopy (TVS) becomes an interesting tool to investigate the energetic position of the molecular orbitals involved in the tunneling process. We used scanning tunneling spectroscopy to perform both spectroscopy techniques as a function of the tip-substrate distance. Employing our model system, benzoic acid on a Cu(110) surface, we could observe a step in the transition voltage using distance-dependent TVS. Combining the spectroscopic results with density functional theory based calculations, it was possible to identify the molecular orbitals responsible for charge transport. Moreover, it was found that different molecular orbitals are responsible for charge transport if varying STM tip-substrate distances are examined.
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000019029 7001_ $$0P:(DE-Juel1)130751$$aKarthäuser, S.$$b3$$uFZJ
000019029 773__ $$0PERI:(DE-600)2256522-X$$a10.1021/jp204240n$$gVol. 115, p. 15025 - 15030$$p15025 - 15030$$q115<15025 - 15030$$tThe @journal of physical chemistry <Washington, DC> / C$$v115$$x1932-7447$$y2011
000019029 8567_ $$uhttp://dx.doi.org/10.1021/jp204240n
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