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Charge transfer complexation boosts molecular conductance through Fermi level pinning

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Charge transfer complexation boosts molecular conductance through Fermi level pinning. / Wang, K.; Vezzoli, A.; Grace, I.; McLaughlin, M.; Nichols, R.J.; Xu, B.; Lambert, C.J.; Higgins, S.J.

In: Chemical Science, Vol. 10, No. 8, 28.02.2019, p. 2396-2403.

Research output: Contribution to journalJournal articlepeer-review

Harvard

Wang, K, Vezzoli, A, Grace, I, McLaughlin, M, Nichols, RJ, Xu, B, Lambert, CJ & Higgins, SJ 2019, 'Charge transfer complexation boosts molecular conductance through Fermi level pinning', Chemical Science, vol. 10, no. 8, pp. 2396-2403. https://doi.org/10.1039/C8SC04199G

APA

Wang, K., Vezzoli, A., Grace, I., McLaughlin, M., Nichols, R. J., Xu, B., Lambert, C. J., & Higgins, S. J. (2019). Charge transfer complexation boosts molecular conductance through Fermi level pinning. Chemical Science, 10(8), 2396-2403. https://doi.org/10.1039/C8SC04199G

Vancouver

Wang K, Vezzoli A, Grace I, McLaughlin M, Nichols RJ, Xu B et al. Charge transfer complexation boosts molecular conductance through Fermi level pinning. Chemical Science. 2019 Feb 28;10(8):2396-2403. https://doi.org/10.1039/C8SC04199G

Author

Wang, K. ; Vezzoli, A. ; Grace, I. ; McLaughlin, M. ; Nichols, R.J. ; Xu, B. ; Lambert, C.J. ; Higgins, S.J. / Charge transfer complexation boosts molecular conductance through Fermi level pinning. In: Chemical Science. 2019 ; Vol. 10, No. 8. pp. 2396-2403.

Bibtex

@article{c2ca371a3b7e4cd0b9e6ea9bdd7d4a71,
title = "Charge transfer complexation boosts molecular conductance through Fermi level pinning",
abstract = "Interference features in the transmission spectra can dominate charge transport in metal-molecule-metal junctions when they occur close to the contact Fermi energy ( E F). Here, we show that by forming a charge-transfer complex with tetracyanoethylene (TCNE) we can introduce new constructive interference features in the transmission profile of electron-rich, thiophene-based molecular wires that almost coincide with E F. Complexation can result in a large enhancement of junction conductance, with very efficient charge transport even at relatively large molecular lengths. For instance, we report a conductance of 10 -3 G 0 (∼78 nS) for the ∼2 nm long α-quaterthiophene:TCNE complex, almost two orders of magnitude higher than the conductance of the bare molecular wire. As the conductance of the complexes is remarkably independent of features such as the molecular backbone and the nature of the contacts to the electrodes, our results strongly suggest that the interference features are consistently pinned near to the Fermi energy of the metallic leads. Theoretical studies indicate that the semi-occupied nature of the charge-transfer orbital is not only important in giving rise to the latter effect, but also could result in spin-dependent transport for the charge-transfer complexes. These results therefore present a simple yet effective way to increase charge transport efficiency in long and poorly conductive molecular wires, with important repercussions in single-entity thermoelectronics and spintronics. ",
keywords = "Carrier transport, Fermi level, Nanowires, Orbital transfer, Wire, Charge transfer complex, Constructive interference, Metal-molecule-metal junctions, Molecular conductance, Spin dependent transport, Transmission profiles, Transmission spectrums, Transport efficiency, Charge transfer",
author = "K. Wang and A. Vezzoli and I. Grace and M. McLaughlin and R.J. Nichols and B. Xu and C.J. Lambert and S.J. Higgins",
note = "Funding details: ECCS 1609788, ECCS 1231967 Funding details: Engineering and Physical Sciences Research Council, EP/H035184/1, EP/M005046/1, EP/ H035818/1 Funding text 1: This work was supported by UK EPSRC under grants EP/ H035818/1 (Medium Effects in Single-Molecule Electronics, Lancaster), EP/H035184/1 (Medium Effects in Single-Molecule Electronics, Liverpool) EP/M005046/1 (Single-Molecule Photo-Spintronics, Liverpool) and by US NSF grants ECCS 1609788 and ECCS 1231967 (Athens).",
year = "2019",
month = feb,
day = "28",
doi = "10.1039/C8SC04199G",
language = "English",
volume = "10",
pages = "2396--2403",
journal = "Chemical Science",
issn = "2041-6520",
publisher = "Royal Society of Chemistry",
number = "8",

}

RIS

TY - JOUR

T1 - Charge transfer complexation boosts molecular conductance through Fermi level pinning

AU - Wang, K.

AU - Vezzoli, A.

AU - Grace, I.

AU - McLaughlin, M.

AU - Nichols, R.J.

AU - Xu, B.

AU - Lambert, C.J.

AU - Higgins, S.J.

N1 - Funding details: ECCS 1609788, ECCS 1231967 Funding details: Engineering and Physical Sciences Research Council, EP/H035184/1, EP/M005046/1, EP/ H035818/1 Funding text 1: This work was supported by UK EPSRC under grants EP/ H035818/1 (Medium Effects in Single-Molecule Electronics, Lancaster), EP/H035184/1 (Medium Effects in Single-Molecule Electronics, Liverpool) EP/M005046/1 (Single-Molecule Photo-Spintronics, Liverpool) and by US NSF grants ECCS 1609788 and ECCS 1231967 (Athens).

PY - 2019/2/28

Y1 - 2019/2/28

N2 - Interference features in the transmission spectra can dominate charge transport in metal-molecule-metal junctions when they occur close to the contact Fermi energy ( E F). Here, we show that by forming a charge-transfer complex with tetracyanoethylene (TCNE) we can introduce new constructive interference features in the transmission profile of electron-rich, thiophene-based molecular wires that almost coincide with E F. Complexation can result in a large enhancement of junction conductance, with very efficient charge transport even at relatively large molecular lengths. For instance, we report a conductance of 10 -3 G 0 (∼78 nS) for the ∼2 nm long α-quaterthiophene:TCNE complex, almost two orders of magnitude higher than the conductance of the bare molecular wire. As the conductance of the complexes is remarkably independent of features such as the molecular backbone and the nature of the contacts to the electrodes, our results strongly suggest that the interference features are consistently pinned near to the Fermi energy of the metallic leads. Theoretical studies indicate that the semi-occupied nature of the charge-transfer orbital is not only important in giving rise to the latter effect, but also could result in spin-dependent transport for the charge-transfer complexes. These results therefore present a simple yet effective way to increase charge transport efficiency in long and poorly conductive molecular wires, with important repercussions in single-entity thermoelectronics and spintronics.

AB - Interference features in the transmission spectra can dominate charge transport in metal-molecule-metal junctions when they occur close to the contact Fermi energy ( E F). Here, we show that by forming a charge-transfer complex with tetracyanoethylene (TCNE) we can introduce new constructive interference features in the transmission profile of electron-rich, thiophene-based molecular wires that almost coincide with E F. Complexation can result in a large enhancement of junction conductance, with very efficient charge transport even at relatively large molecular lengths. For instance, we report a conductance of 10 -3 G 0 (∼78 nS) for the ∼2 nm long α-quaterthiophene:TCNE complex, almost two orders of magnitude higher than the conductance of the bare molecular wire. As the conductance of the complexes is remarkably independent of features such as the molecular backbone and the nature of the contacts to the electrodes, our results strongly suggest that the interference features are consistently pinned near to the Fermi energy of the metallic leads. Theoretical studies indicate that the semi-occupied nature of the charge-transfer orbital is not only important in giving rise to the latter effect, but also could result in spin-dependent transport for the charge-transfer complexes. These results therefore present a simple yet effective way to increase charge transport efficiency in long and poorly conductive molecular wires, with important repercussions in single-entity thermoelectronics and spintronics.

KW - Carrier transport

KW - Fermi level

KW - Nanowires

KW - Orbital transfer

KW - Wire

KW - Charge transfer complex

KW - Constructive interference

KW - Metal-molecule-metal junctions

KW - Molecular conductance

KW - Spin dependent transport

KW - Transmission profiles

KW - Transmission spectrums

KW - Transport efficiency

KW - Charge transfer

U2 - 10.1039/C8SC04199G

DO - 10.1039/C8SC04199G

M3 - Journal article

C2 - 30881668

VL - 10

SP - 2396

EP - 2403

JO - Chemical Science

JF - Chemical Science

SN - 2041-6520

IS - 8

ER -