Giant Switching Effect and Spintronic Transport Properties in Cyclo[18]carbon‐Based Molecular Devices

Abstract

The isolated cyclo[18]carbon (C18), as a newly synthesized carbon allotrope, has potential to become the core unit of high‐end electronic devices due to its excellent physical properties. However, the research on C18 in molecular devices is still in the rudimentary stage. Herein, a novel molecular spin‐filtering device, formed by covalently sandwiching a C18 ring between two zigzag‐edged graphene nanoribbons (ZGNRs), is investigated based on the nonequilibrium Green's function method and density functional theory. It is found that the spin‐polarized current can be implemented and controlled through adjusting the magnetic configuration of left (right) electrode. Remarkably, a strong bimolecular configuration switching effect can be achieved by inserting a metal carbon chain between nonmagnetic ZGNRs and C18 (on/off ratio of ≈2737). The results suggest theoretical guidance for the design of next‐generation carbon‐based molecular spintronic devices.

Bonding Character, Electron Delocalization, and Aromaticity of Cyclo[18]Carbon (C18) Precursors, C18‐(CO)n (n=6, 4, and 2): Focusing on the Effect of Carbonyl (‐CO) Groups**

“…Cyclo[18]carbon (C 18 ) is a novel all‐carboatomic molecule that has been generated and characterized recently [1,2] . This allotrope of carbon has attracted considerable attention in the field of chemistry and material science since it has been observed in condensed phase, [3–40] and a large number of theoretical explorations on its electronic structure, [3–5] aromaticity, [4,6–11] optical and spectroscopic properties, [5,12–15] molecular interaction, [16–18] potential applications in molecular devices, [8,12,19–22] as well as multiple properties of its analogues [7–9,11,14,15,23] have been reported in succession. However, there is currently no way to obtain an isolate product of C 18 and its pure‐carbon analogues due to their extreme chemical activity.…”

Recent Advances in the Spintronic Application of Carbon-Based Nanomaterials

“…The isolated cyclo [ 18 ] carbon (C18), a recently synthesized carbon allotrope, has the potential to be the essential element of advanced electronic systems because of its superior physical characteristics. Based on the non-equilibrium Green’s function approach and density functional theory, Hou L. et al studied a unique molecular spin-filtering device that was created by covalently sandwiching a C18 ring between two zigzag-edged graphene nanoribbons (ZGNRs) [ 22 ]. By sandwiching a metal-carbon chain between C18 and nonmagnetic ZGNRs (on/off ratio of ≈2737), it is possible to produce a potent bimolecular configuration switching effect.…”

Origin of structure and stability of M@C18 (M = Cu, Ag, and Au) complexes with D9h point group

“…In situ synthesis of the C 18 molecule in condensed form utilizing an atom manipulation technique has emerged as a significant research interest owing to the possibility to serve as an alternative for the formation of various carbon allotropes 1–3 . Following this triumph of experiments, a plethora of theoretical studies investigated the structure, stability and properties of the C 18 ring and its complexes in the gas phase 1–43 . More importantly, scrutiny of properties of C 18 and its complexes gained considerable attention of researchers, including the dynamics behavior, heavy‐atom tunneling, double aromatic character, all‐carbon electron acceptor property, transport properties, and so forth 4–44 .…”