Structural order and charge transfer in highly strained carbon nanobelts

Aydin, G.; Kocak, Olkan; Güleryüz, Cihat; Yavuz, İlhan

doi:10.1039/d0nj03455j

Cited by 14 publications

(14 citation statements)

References 44 publications

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“…Carbon nanobelts (CNBs), which can be broadly defined as doublestranded, belt-shaped conjugated carbon skeleton, have attracted great research interest for several decades because of their unique structures and potential applications as functional molecular materials (1)(2)(3)(4)(5)(6). In particular, the unconventional radial π-conjugation along the highly strained loop of carbon makes CNBs appealing candidates toward optoelectronic applications such as single-molecule electronics, photovoltaics, and light-emitting diodes (7)(8)(9). The first armchair CNB consisting of solely fused benzene rings was first synthesized in 2017 and extended in 2018 (9,10), and later, two types of all-benzene CNBs with chiral and zigzag structures have been reported (11)(12)(13).…”

Section: Introductionmentioning

confidence: 99%

Highly efficient charge transport across carbon nanobelts

et al. 2022

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Carbon nanobelts (CNBs) are a new form of nanocarbon that has promising applications in optoelectronics due to their unique belt-shaped π-conjugated systems. Recent synthetic breakthrough has led to the access to various CNBs, but their optoelectronic properties have not been explored yet. In this work, we study the electronic transport performance of a series of CNBs by incorporating them into molecular devices using the scanning tunneling microscope break junction technique. We show that, by tuning the bridging groups between the adjacent benzenes in the CNBs, we can achieve remarkably high conductance close to 0.1 G 0 , nearly one order of magnitude higher than their nanoring counterpart cycloparaphenylene. Density functional theory–based calculations further elucidate the crucial role of the structural distortion played in facilitating the unique radial π-electron delocalization and charge transport across the belt-shaped carbon skeletons. These results develop a basic understanding of electronic transport properties of CNBs and lay the foundation for further exploration of CNB-based optoelectronic applications.

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Section: Introductionmentioning

confidence: 99%

Highly efficient charge transport across carbon nanobelts

et al. 2022

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“…These two types of conformations are different from those observed in solid-state morphologies. 32 This interaction mechanism triggers the formation of amorphous CNB clusters (as mentioned later). Given that the binding free energy (ΔG) is defined as the free energy value relative to that at a sufficiently distant point (i.e., 1.5 nm), 33,34 the binding free energy between two CNB molecules is approximately −9.6 ± 0.8 kJ mol −1 at 0.90 nm and −11.2 ± 0.2 kJ mol −1 at 1.15 nm.…”

Section: Molecular Dynamics Simulations Of [12]mentioning

confidence: 87%

Solubilization of Carbon Nanobelts in Aqueous Solutions: Optical and Colloidal Properties

Hirano,

Kameda,

Wada

et al. 2023

Nano Lett.

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“…[1][2][3] Moreover, their curved and radially oriented π-system has generated increasing interest from the organic semiconductor community. [4][5][6] A CPP consists of a number of para-connected benzene rings to form a loop-like structure.…”

Section: Introductionmentioning

confidence: 99%

A Donor-Acceptor 10-Cycloparaphenylene and Its Use as an Emitter in an Organic Light-Emitting Diodes

Chen

Wada

Kusakabe

et al. 2022

Preprint

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Here, we explored the possibility of using radial conjugated π-system of cycloparaphenylenes (CPP) within a donor-acceptor TADF emitter design. 4PXZPh-[10]CPP contains four electron-donating moieties connected to a [10]CPP. In the 15 wt% doped in CzSi film, 4PXZPh-[10]CPP showed sky-blue emission with λPL = 475 nm, ΦPL = 29%, and triexponential emis-sion decays with τPL of 4.4, 46.3 and 907.8 ns. Solution-processed OLEDs using 4PXZPh-[10]CPP exhibited sky-blue emission with an λEL of 465 nm and an EQEmax of 1.0%.

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Structural order and charge transfer in highly strained carbon nanobelts

Abstract: We present a computational study of the atomic morphology, structural order and charge transfer properties of radially -conjugated, closed-loop, highly strained chiral carbon nano-belts (CNB). Synthesis of nano-belts has recently...

Cited by 14 publications

References 44 publications

Highly efficient charge transport across carbon nanobelts

Highly efficient charge transport across carbon nanobelts

Solubilization of Carbon Nanobelts in Aqueous Solutions: Optical and Colloidal Properties

A Donor-Acceptor 10-Cycloparaphenylene and Its Use as an Emitter in an Organic Light-Emitting Diodes

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