Fullerene-Based Anchoring Groups for Molecular Electronics

Martin, Christian A.; Ding, Dapeng; Sørensen, Jakob Kryger; Bjørnholm, Thomas; Ruitenbeek, J. M. van; Zant, Herre S. J. van der

doi:10.1021/ja804699a

Cited by 300 publications

(307 citation statements)

References 16 publications

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“…1b) allows the distance between the electrodes to be tuned with picometer precision by bending the flexible substrate supporting partially suspended electrodes [24][25][26][27][28][29][30] . In three-terminal MCBJ devices an additional gate electrode allows electrostatic tuning of the energy levels of the molecular junction 19 .…”

Section: Curent-voltage Characteristicsmentioning

confidence: 99%

Large tunable image-charge effects in single-molecule junctions

et al. 2013

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The characteristics of molecular electronic devices are critically determined by metal-organic interfaces, which influence the arrangement of the orbital levels that participate in charge transport.Studies on self-assembled monolayers (SAMs) show (molecule-dependent) level shifts as well as transport-gap renormalization, suggesting that polarization effects in the metal substrate play a key role in the level alignment with respect to the metal's Fermi energy. Here, we provide direct evidence for an electrode-induced gap renormalization in single-molecule junctions. We study charge transport in single porphyrin-type molecules using electrically gateable break junctions.In this set-up, the position of the occupied and unoccupied levels can be followed in situ and with simultaneous mechanical control. When increasing the electrode separation, we observe a substantial increase in the transport gap with level shifts as high as several hundreds of meV for displacements of a fewÅngstroms. Analysis of this large and tunable gap renormalization with image-charge calculations based on atomic charges obtained from density functional theory confirms and clarifies the dominant role of image-charge effects in single-molecule junctions.

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Section: Curent-voltage Characteristicsmentioning

confidence: 99%

Large tunable image-charge effects in single-molecule junctions

et al. 2013

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“…26 Second, the specific molecule C 60 -molecule might play a special role in the context of contact formation because it was recently proposed to be a suitable general anchor group due to its size and electronic conjugation. 27,28 In this paper we address the transport characteristics of single-molecule junctions formed using C 60 molecules attached to Au electrodes. Our calculations are employing the DFT-based non-equilibrium Green's functions (NEGF) formalism 29 .…”

Section: -8mentioning

confidence: 99%

Transport properties of individual C60-molecules

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Bagrets

et al. 2013

The Journal of Chemical Physics

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Electrical and thermal transport properties of C60 molecules are investigated with densityfunctional-theory based calculations. These calculations suggest that the optimum contact geometry for an electrode terminated with a single-Au atom is through binding to one or two C-atoms of C60 with a tendency to promote the sp 2 -hybridization into an sp 3 -type one. Transport in these junctions is primarily through an unoccupied molecular orbital that is partly hybridized with the Au, which results in splitting the degeneracy of the lowest unoccupied molecular orbital triplet. The transmission through these junctions, however, cannot be modeled by a single Lorentzian resonance, as our results show evidence of quantum interference between an occupied and an unoccupied orbital. The interference results in a suppression of conductance around the Fermi energy. Our numerical findings are readily analyzed analytically within a simple two-level model.

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“…This molecule has recently attracted a lot of attention because it has promising properties for making reproducible contacts via the large C 60 anchoring groups. 31,32 Thus, both leads and anchoring groups are made of carbon.…”

Section: Modelmentioning

confidence: 99%

Graphene nanogap for gate-tunable quantum-coherent single-molecule electronics

et al. 2011

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We present atomistic calculations of quantum coherent electron transport through fulleropyrrolidine terminated molecules bridging a graphene nanogap. We predict that three difficult problems in molecular electronics with single molecules can be solved by utilizing graphene contacts: (1) a back gate modulating the Fermi level in the graphene leads facilitates control of the device conductance in a transistor effect with high on-off current ratio; (2) the size mismatch between leads and molecule is avoided, in contrast to the traditional metal contacts; (3) as a consequence, distinct features in charge flow patterns throughout the device are directly detectable by scanning techniques. We show that moderate graphene edge disorder is unimportant for the transistor function.

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Fullerene-Based Anchoring Groups for Molecular Electronics

Cited by 300 publications

References 16 publications

Large tunable image-charge effects in single-molecule junctions

Large tunable image-charge effects in single-molecule junctions

Transport properties of individual C60-molecules

Graphene nanogap for gate-tunable quantum-coherent single-molecule electronics

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