Dipole-improved gating of azulene-based single-molecule transistors

Fu, Hongyong; Zhao, Cong; Cheng, Jie; Zhou, Shuyao; Peng, Peizhen; Hao, Jie; Liu, Zhirong; Gao, Xike; Jia, Chuancheng; Guo, Xuefeng

doi:10.1039/d2tc01474b

Cited by 8 publications

(8 citation statements)

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“…Based on molecular engineering design, the PNP-type molecule based on azulene with a ∼1.05 D dipole moment was synthesized, which has an energy band structure similar to that of PNP bipolar junctions (Figure ). Specifically, the designed azulene molecule (AM) possesses two back-to-back azulene units with opposite dipole directions to form a PNP structure . Through theoretical calculations, it was confirmed that AM possesses obvious charge separation.…”

Section: Resultsmentioning

confidence: 93%

“…Specifically, the designed azulene molecule (AM) possesses two back-to-back azulene units with opposite dipole directions to form a PNP structure. 34 Through theoretical calculations, it was confirmed that AM possesses obvious charge separation. As shown in the calculated electrostatic potential, the inherent dipole moment on both sides is ∼1.7 D (Figure 1A,B).…”

Section: ■ Results and Discussionmentioning

confidence: 93%

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Dipole-Modulated Charge Transport through PNP-Type Single-Molecule Junctions

Wang

et al. 2022

J. Am. Chem. Soc.

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The PNP structure realized by energy band engineering is widely used in various electronic and optoelectronic devices. In this work, we succeed in constructing a PNP-type single-molecule junction and explore the intrinsic characteristics of the PNP structure at the single-molecule level. A back-to-back azulene molecule is designed with opposite ∼1.7 D dipole moments to create PNP-type single-molecule junctions. In combination with theoretical and experimental studies, it is found that the intrinsic dipole can effectively adjust single-molecule charge transport and the corresponding potential barriers. This energy band control and charge transport regulation at the single-molecule level improve deep understanding of molecular charge transport mechanisms and provide important insights into the development of high-performance functional molecular nanocircuits toward practical applications.

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Section: Resultsmentioning

confidence: 93%

Section: ■ Results and Discussionmentioning

confidence: 93%

Dipole-Modulated Charge Transport through PNP-Type Single-Molecule Junctions

Wang

et al. 2022

J. Am. Chem. Soc.

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“…4A) use the gate electric field to adjust the positions of their molecular energy levels (fig. S26), thus regulating the conductance of single molecules (26)(27)(28)(29)(30)(31)(32). When compared with that of the armchair channel, the smaller HOMO-LUMO bandgap of the zigzag channel is beneficial in improving the gate regulation efficiency.…”

Section: Field-effect Properties Of Armchair and Zigzag Channelsmentioning

confidence: 99%

Distinct armchair and zigzag charge transport through single polycyclic aromatics

Zhang

Jia

et al. 2023

Sci. Adv.

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In aromatic systems with large π-conjugated structures, armchair and zigzag configurations can affect each material’s electronic properties, determining their performance and generating certain quantum effects. Here, we explore the intrinsic effect of armchair and zigzag pathways on charge transport through single hexabenzocoronene molecules. Theoretical calculations and systematic experimental results from static carbon-based single-molecule junctions and dynamic scanning tunneling microscope break junctions show that charge carriers are preferentially transported along the hexabenzocoronene armchair pathway, and thus, the corresponding current through this pathway is approximately one order of magnitude higher than that through the zigzag pathway. In addition, the molecule with the zigzag pathway has a smaller energy gap. In combination with its lower off-state conductance, it shows a better field-effect performance because of its higher on-off ratio in electrical measurements. This study on charge transport pathways offers a useful perspective for understanding the electronic properties of π-conjugated systems and realizing high-performance molecular nanocircuits toward practical applications.

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“…Substituting one aromatic ring bridge with a saturated methylene bridge in a fully conjugated molecular chain can suppress the zero‐bias differential conductance and enhance the ON‐OFF current ratio by near one order of magnitude [21] . Introducing polar components in a molecular FET device has been demonstrated to improve the current rectification ratio by up to five times [22] . However, the underlying mechanisms behind these device performance enhancements and other potential approaches for enhancing gate controllability need to be further investigated and explored.…”

Section: Introductionmentioning

confidence: 99%

“…[21] Introducing polar components in a molecular FET device has been demonstrated to improve the current rectification ratio by up to five times. [22] However, the underlying mechanisms behind these device performance enhancements and other potential approaches for enhancing gate controllability need to be further investigated and explored.…”

Section: Introductionmentioning

confidence: 99%

Enhancing Gating Performance in Organic Molecular Field‐Effect Transistors by Introducing Polar Azulene Components

Xu,

Liu,

Wang

2023

Chemistry A European J

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Organic molecular field‐effect transistors (FETs) are promising building components for future electronic circuits. Efficient control of charge transport properties is one key issue in the design of organic molecular FETs. In this study, we propose a redesign of a naphthalene‐based FET by introducing two azulene components in opposite dipole moment directions. Using density functional theory combined with non‐equilibrium Green's function, the simulated electronic transport characteristics reveal that the introduction of polar azulene components effectively narrows the frontier molecular orbitals gap, leading to an increase in the ON‐state current. Meanwhile, the OFF‐state current is significantly suppressed by highly localizing the dominant electronic transport channel. As a result, improved gate controllability is achieved with a higher ON‐OFF current ratio, which is nearly one order of magnitude higher than that of the naphthalene‐based FET device. These findings provide theoretical directions for future design of organic molecular FET devices with enhanced gating regulation efficiency.

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Dipole-improved gating of azulene-based single-molecule transistors

Abstract: Single-molecule field-effect transistors (FETs) are promising to break the development bottleneck of device miniaturization, which is of great significance for realizing the development of more than Moore. However, the field-effect...

Cited by 8 publications

References 35 publications

Dipole-Modulated Charge Transport through PNP-Type Single-Molecule Junctions

Dipole-Modulated Charge Transport through PNP-Type Single-Molecule Junctions

Distinct armchair and zigzag charge transport through single polycyclic aromatics

Enhancing Gating Performance in Organic Molecular Field‐Effect Transistors by Introducing Polar Azulene Components

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