Charge transport in topological graphene nanoribbons and nanoribbon heterostructures

Mangnus, Mark J. J.; Fischer, Felix R.; Crommie, Michael F.; Swart, Ingmar; Jacobse, Peter H.

doi:10.1103/physrevb.105.115424

Cited by 14 publications

(24 citation statements)

References 134 publications

(205 reference statements)

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“…[ 9 ] The value of the electron–phonon coupling constant used here was within the expected range of 4–14.1 eV Å −1 obtained in early estimates for graphene [ 65–67 ] which is also applicable for GNRs [ 41–43 ] and π‐conjugated polymers, [ 40,49,55 ] where quasiparticle formation is vastly observed. [ 38,68–71 ] Since the conformations in the present study were structurally similar, the 2‐2CGNR's α was extended for them. Finally, the external electric field was included adiabatically [ 21 ] in dynamics simulations of about 700 fs.…”

Section: Methodsmentioning

confidence: 99%

Regulating Polaron Transport Regime via Heterojunction Engineering in Cove‐Type Graphene Nanoribbons

Cassiano

Ribeiro

Silva

et al. 2023

Advcd Theory and Sims

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Graphene nanoribbons (GNRs) are emerging materials inheriting excellent properties from graphene while potentially exhibiting semiconducting behavior. All these features sparked numerous efforts to insert GNRs in nanoelectronics. As a result, synthesis routes with atomic resolution are now a reality. Recently, the rise of heterojunction (HJ) engineering pushed even further the prospects, allowing the blending of different GNRs as building blocks. However, much of the potential behind it remains untouched for some junctions. In this work, the consequences of forming a cove‐type GNR (CGNR) HJ by assembling specimens with borders of different zig‐zag/armchair ratios are explored. The nanoribbons are simulated using the extended two‐dimensional Su–Schrieffer–Heeger model with electron–phonon coupling. The findings show that manipulating the junction creates multiple routes for smooth monotonic gap tuning. Moreover, the changes in the hopping mechanism, mobility, and effective mass are reported leading to variations up to 10 000 cm2 V−1 s−1 and 0.425 me. This work reveals a pathway to expand the modularity of CGNRs through smooth control of the charge carrier's properties. Future applications can explore this feature to design devices with highly specific charge transport characteristics. The study also serves as theoretical background, potentially inspiring new tuning strategies in other GNRs.

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Section: Methodsmentioning

confidence: 99%

Regulating Polaron Transport Regime via Heterojunction Engineering in Cove‐Type Graphene Nanoribbons

Cassiano

Ribeiro

Silva

et al. 2023

Advcd Theory and Sims

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“…Over the past decades, electron transport through the topological boundary state of solid-state topological materials has been extensively studied. − However, studies on electron transmission through topological states at the single-molecule level are limited. Solid-state topological insulators (TIs) feature conducting boundary states and insulating interior states.…”

Section: Introductionmentioning

confidence: 99%

Topological Radical Pairs Produce Ultrahigh Conductance in Long Molecular Wires

Louie

Evans

et al. 2023

J. Am. Chem. Soc.

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Molecular one-dimensional topological insulators (1D TIs), which conduct through energetically low-lying topological edge states, can be extremely highly conducting and exhibit a reversed conductance decay, affording them great potential as building blocks for nanoelectronic devices. However, these properties can only be observed at the short length limit. To extend the length at which these anomalous effects can be observed, we design topological oligo[n]emeraldine wires using short 1D TIs as building blocks. As the wire length increases, the number of topological states increases, enabling an increased electronic transmission along the wire; specifically, we show that we can drive over a microampere current through a single ∼5 nm molecular wire, appreciably more than what has been observed in other long wires reported to date. Calculations and experiments show that the longest oligo[7]emeraldine with doped topological states has over 106 enhancements in the transmission compared to its pristine form. The discovery of these highly conductive, long organic wires helps overcome a fundamental hurdle to implementing molecules in complex, nanoscale circuitry: their structures become too insulating at lengths that are useful in designing nanoscale circuits.

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“…302,303 Long versions of 5-AGNRs with 14 repeat units (5 14 -AGNR) show an open-shell diradical structure 304 in DFTbased calculations, while those with just 8 repeat units (5 8 -AGNR) show a closed-shell frontier orbital structure. 305 A second example is the rhombus-shaped zigzag nanographene. This also exhibits similar open-shell diradical electronic states at the edges as the size increases, as shown in Figure 12f.…”

Section: Single-molecule Measurements Of Molecules With Topological R...mentioning

confidence: 99%

Radical Single-Molecule Junctions

Prindle

Shi

et al. 2023

J. Am. Chem. Soc.

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Radicals are unique molecular systems for applications in electronic devices due to their open-shell electronic structures. Radicals can function as good electrical conductors and switches in molecular circuits while also holding great promise in the field of molecular spintronics. However, it is both challenging to create stable, persistent radicals and to understand their properties in molecular junctions. The goal of this Perspective is to address this dual challenge by providing design principles for the synthesis of stable radicals relevant to molecular junctions, as well as offering current insight into the electronic properties of radicals in single-molecule devices. By exploring both the chemical and physical properties of established radical systems, we will facilitate increased exploration and development of radical-based molecular systems.

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Charge transport in topological graphene nanoribbons and nanoribbon heterostructures

Cited by 14 publications

References 134 publications

Regulating Polaron Transport Regime via Heterojunction Engineering in Cove‐Type Graphene Nanoribbons

Regulating Polaron Transport Regime via Heterojunction Engineering in Cove‐Type Graphene Nanoribbons

Topological Radical Pairs Produce Ultrahigh Conductance in Long Molecular Wires

Radical Single-Molecule Junctions

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