Towards graphyne molecular electronics

Li, Zhihai; Smeu, Manuel; Rives, Arnaud; Maraval, Valérie; Chauvin, Rémi; Ratner, Mark A.; Borguet, Eric

doi:10.1038/ncomms7321

Cited by 152 publications

(119 citation statements)

References 63 publications

(71 reference statements)

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“…175 Very recently conductivity measurements have been performed on model sp-sp 2 -molecules (i.e., carbo-benzene and carbo-n-butadiene) at the single molecule level by means of the scanning tunnelling microscopy break junction method. 176 Such systems can be considered as fundamental building blocks of extended α-graphyne systems even though they have been endcapped with suitable anchoring groups to be connected with metal electrodes (i.e., the tip and the substrate). In the case of carbo-benzene, the results show single molecule conductance of about 100 nS that is very high with respect to similar molecular fragments.…”

Section: Caws Integrated With Sp 2 -Carbonmentioning

confidence: 99%

“…The reason for this performance is to be ascribed to the macro-aromatic ring that provides a rigid planar conformation, as supported by the comparison with other molecular fragments with a different degree of conformational rigidity. 176 A network of wires decorated by calcium atoms has been proposed as an efficient material for H storage, as a result of numerical calculations. 177 Possible architectures comprise a wire-graphene system and a 3-D network of wires joined by sp 3 links to form a diamond-like lattice.…”

Section: Caws Integrated With Sp 2 -Carbonmentioning

confidence: 99%

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Carbon-atom wires: 1-D systems with tunable properties

et al. 2016

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This review provides a discussion of the current state of research on linear carbon structures and related materials based on sp-hybridization of carbon atoms ( polyynes and cumulenes). We show that such systems have widely tunable properties and thus represent an intriguing and mostly unexplored field for both fundamental and applied sciences. We discuss the rich interplay between the structural, vibrational, and electronic properties focusing on recent advances and the future perspectives of carbon-atom wires and novel hybrid sp-sp 2 -carbon architectures.

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Section: Caws Integrated With Sp 2 -Carbonmentioning

confidence: 99%

Section: Caws Integrated With Sp 2 -Carbonmentioning

confidence: 99%

Carbon-atom wires: 1-D systems with tunable properties

et al. 2016

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“…Within this spirit, Oleg Shishkin et al addressed the crystallographic packing mode of generic carbo-benzenes or their [6] pericyclic precursors [18], in particular by using the hedgehog model [19]. To extrapolate charge transport properties of a-graphyne, ''monomeric'' functional carbo-benzenes were studied for their single-molecule conductance (SMC) [20].…”

Section: Introductionmentioning

confidence: 99%

How carbo-benzenes fit molecules in their inner core as do biologic ion carriers?

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Chauvin

et al. 2015

Struct Chem

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The present computational study complements experimental efforts to describe and characterize carbo-benzene derivatives as paradigms of aromatic carbo-mers. A long-lasting issue has been the possibility of the π-electron crown of the C18 carbo-benzene ring to fit metals or any chemical agents in its core. A systematic screening of candidate inclusion complexes was carried out by density functional theory calculations. Mayer bond order, aromaticity indices, and energy decomposition analyses complete the understanding of the strength of the host-guest interaction. The change in steric and electronic properties induced by the guest agent is investigated by means of steric maps. Substitution of H atoms at the carbo-benzene periphery by electron-withdrawing or electron-donating groups is shown to have a determining influence on the stability of the inclusion complex ions: while electronegative substituents enhance the recognition of cations, electropositive substituents do the same for anions. The results confirm the experimental failure hitherto to evidence a carbo-benzene complex. Nevertheless, the affinity of carbo-benzene for the potassium cation appears promising for the design of planar hydrocarbon analogues of biologic ion carriersA.P. thanks the Spanish MINECO for a project CTQ2014-59832-JIN and European Commission for a Career Integration Grant (CIG09-GA-2011-293900

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“…STM break-junction measurements on a thioether-linked cyclophane ( d AB =0.7 nm) gave the result , providing evidence for quantum interference9. Similar experiments compared the conductance of a carbobenzene macrocycle ( d AB =0.8 nm) with a single-path reference molecule to give , although in this case the higher conductance of the two-path system is partly a consequence of its greater conformational rigidity10. These results highlight the challenges involved in using single-molecule charge transport measurements to probe quantum coherence.…”

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confidence: 74%

Constructive quantum interference in a bis-copper six-porphyrin nanoring

et al. 2017

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The exchange interaction, J, between two spin centres is a convenient measure of through bond electronic communication. Here, we investigate quantum interference phenomena in a bis-copper six-porphyrin nanoring by electron paramagnetic resonance spectroscopy via measurement of the exchange coupling between the copper centres. Using an analytical expression accounting for both dipolar and exchange coupling to simulate the time traces obtained in a double electron electron resonance experiment, we demonstrate that J can be quantified to high precision even in the presence of significant through-space coupling. We show that the exchange coupling between two spin centres is increased by a factor of 4.5 in the ring structure with two parallel coupling paths as compared to an otherwise identical system with just one coupling path, which is a clear signature of constructive quantum interference.

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Towards graphyne molecular electronics

Cited by 152 publications

References 63 publications

Carbon-atom wires: 1-D systems with tunable properties

Carbon-atom wires: 1-D systems with tunable properties

How carbo-benzenes fit molecules in their inner core as do biologic ion carriers?

Constructive quantum interference in a bis-copper six-porphyrin nanoring

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