Improving Gating Efficiency of Electron Transport through Redox‐Active Molecular Junctions with Conjugated Chains

Zhang, Fan; Wu, Xiaohui; Zhou, Yifan; Wang, Yahao; Zhou, Xiao‐Shun; Shao, Yong; Li, Jianfeng; Jin, Shan; Zheng, Jianbin

doi:10.1002/celc.201902076

Cited by 20 publications

(17 citation statements)

References 53 publications

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“…for all values of the boundary rates. From symmetry σn 1 = − σn L and both (19) and (20) give rise to the same relation. In the r ↑ ∞-limit we have the decoupling σn 1 = σn L = 0 and hence…”

Section: Densitymentioning

confidence: 87%

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Active gating: rocking diffusion channels

Banerjee

Maes

2020

J. Phys. A: Math. Theor.

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When the contacts of an open system with its environment flip between reservoirs, the resulting nonequilibrium shows increased dynamical activity. We investigate such active gating for one-dimensional symmetric and asymmetric exclusion models where the left/right boundary rates for entrance and exit of particles are exchanged at random times. Such rocking makes the particle models more spatially symmetric and on average there is no boundary driving; yet the entropy production increases in the rocking rate. We study the resulting density profile and current as function of the rocking rate. In the asymmetric case a non-monotone density profile may be obtained with particles clustering at the edges. In the totally asymmetric case, there is a bulk transition to a maximum current phase as the rocking exceeds a finite threshold, depending on the boundary rates.

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Section: Densitymentioning

confidence: 87%

“…The associated current can be a non-monotonic function of the rocking rate. This work can serve as a building block for further studies on determining efficiency of transport processes [19], as a function of boundary activity. The tuning of chemical potentials in biological environments can be achieved by monitoring pH gradients [20].…”

Section: Discussionmentioning

confidence: 99%

Active gating: rocking diffusion channels

Banerjee

Maes

2020

J. Phys. A: Math. Theor.

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“…Shown in the first column is a 2D plot of P L as a function of bias V and the shift ∆ of the Fermi energy towards more positive values. Experimentally such a shift can be realized by gating in a three-terminal device 32 or by means of electro-chemical gating 33 . Our motivation to investigate the effect of modifying the Fermi energy (or equivalently, the energetical position of the molecular levels) is twofold.…”

Section: B Heat Dissipation Out Of Equilibriummentioning

confidence: 99%

Interplay of electron and phonon channels in the refrigeration through molecular junctions

Tabatabaei¹,

Mérabia²,

Gotsmann³

et al. 2022

Preprint

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Due to their structured density of states, molecular junctions provide rich resources to filter and control the flow of electrons and phonons. Here we compute the out of equilibrium current-voltage characteristics and dissipated heat of some recently synthesized oligophenylenes (OPE3) using the Density Functional based Tight-Binding (DFTB) method within Non-Equilibrium Green's Function Theory (NEGF). We analyze the Peltier cooling power for these molecular junctions as function of a bias voltage and investigate the parameters that lead to optimal cooling performance. In order to quantify the attainable temperature reduction, an electro-thermal circuit model is presented, in which the key electronic and thermal transport parameters enter. Overall, our results demonstrate that the studied OPE3 devices are compatible with temperature reductions of several K. Based on the results, some strategies to enable high performance devices for cooling applications are briefly discussed.

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“…[27,28] Later as uitable solvent was used to realize electrochemical gating between several single-molecule conductance states in ON/OFF switches for molecular electronics. [20,29,30] Thee nvironmental control was also essential for the achievement of high rectification ratio in single-molecule diodes [4] and the notion of solvent gating was introduced. [15] Previous reports on the solvent effect consider several reasons for the change of the conductance values including as hift of the Fermi energy due to the interaction of the solvent with the electrodes [2,5,12] or ashift in the position of the transporting orbital owing to the solvent-molecule interactions.…”

Section: Introductionmentioning

confidence: 99%

Environmental Control of Single‐Molecule Junction Evolution and Conductance: A Case Study of Expanded Pyridinium Wiring

et al. 2021

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Environmental control of single‐molecule junction evolution and conductance was demonstrated for expanded pyridinium molecules by scanning tunneling microscopy break junction method and interpreted by quantum transport calculations including solvent molecules explicitly. Fully extended and highly conducting molecular junctions prevail in water environment as opposed to short and less conducting junctions formed in non‐solvating mesitylene. A theoretical approach correctly models single‐molecule conductance values considering the experimental junction length. Most pronounced difference in the molecular junction formation and conductance was identified for a molecule with the highest stabilization energy on the gold substrate confirming the importance of molecule–electrode interactions. Presented concept of tuning conductance through molecule–electrode interactions in the solvent‐driven junctions can be used in the development of new molecular electronic devices.

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Improving Gating Efficiency of Electron Transport through Redox‐Active Molecular Junctions with Conjugated Chains

Cited by 20 publications

References 53 publications

Active gating: rocking diffusion channels

Active gating: rocking diffusion channels

Interplay of electron and phonon channels in the refrigeration through molecular junctions

Environmental Control of Single‐Molecule Junction Evolution and Conductance: A Case Study of Expanded Pyridinium Wiring

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