The analysis of charge transport mechanism in molecular junctions based on current-voltage characteristics

Song, Xianneng; Han, Bin; Yu, Xi; Hu, Wenping

doi:10.1016/j.chemphys.2019.110514

Cited by 28 publications

(42 citation statements)

References 36 publications

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“…Attenuation coefficient is set to 1.1 per carbon atom, which is a typical value for alkane group 26,27 . in the semi-logarithm scale plot, the Lg(I)-V curve is more linear 28 . The other important characteristic is that the rectification ratio of hopping transport is much higher than tunneling transport.…”

Section: Hopping Vs Tunnelingmentioning

confidence: 92%

“…Firstly, similar to our previous study on symmetric models, the current in hopping transport can span a much higher range than the tunneling transport. The current in hopping is near exponentially dependent on voltage, therefore in the semi-logarithm scale plot, the Lg(I)-V curve is more linear 28 . The other important characteristic is that the rectification ratio of hopping transport is much higher than tunneling transport.…”

Section: Hopping Vs Tunnelingmentioning

confidence: 98%

“…In contrast, group I and II (red and black) take on the characteristics of tunneling with much higher current at low bias than group III. According to our previous study 28 , we attribute the three groups to leaking current (group I) by defects of monolayer 35,36 , tunneling (group II) 7 and hopping (group III) through ferrocene-undecanethiol monolayer. We further applied the asymmetric tunneling and hopping model to fit the three group respectively, and the results are displayed in Figure 8(e, f) S3-S4, which are well consistent with the experimental results.…”

Section: Charge Transport Mechanism Distinguished By I-v Characteristicsmentioning

confidence: 99%

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Ideal Current-voltage Characteristics and Rectification Performance of Molecular Rectifier under Single Level based Tunneling and Hopping Transport

Song¹,

Hu³

2020

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In this work, we systematically studied the rectifying properties of molecular junction based on asymmetric tunneling and hopping charge transport in a single electronic state model using Landauer formula and Marcus theory. We first analyzed the asymmetric I-V characteristics and revealed distinct physical origins of the rectification under the two types of transports. We found significant difference in I-V characteristics of the two and the hopping transport can afford a much higher rectification ratio than tunneling. Next, the effect of key physical parameters on rectification performance under tunneling and hopping, like asymmetric factor, energy barrier, temperature and molecule-electrode coupling et al, were extensively evaluated, which provided a theoretical baseline for molecular diode design and performance modulation. At last, we further analyzed representative experimental results using the two models. We successfully reproduced the experimental results by adjusting the model parameters and revealed the coexistence of the tunneling and hopping processes in the ferrocene based molecular diode. The model method thus can work as powerful tool in mechanism analysis for the molecular rectification study.

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Section: Hopping Vs Tunnelingmentioning

confidence: 92%

Section: Hopping Vs Tunnelingmentioning

confidence: 98%

Section: Charge Transport Mechanism Distinguished By I-v Characteristicsmentioning

confidence: 99%

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Ideal Current-voltage Characteristics and Rectification Performance of Molecular Rectifier under Single Level based Tunneling and Hopping Transport

Song¹,

Hu³

2020

Preprint

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“…As mention above, the two simplified model cannot provide a full description on the transition of the tunneling and hopping transport. However, both Skourtis et al 47 and our previous work 28 have shown that a simple linear combination of the tunneling and hopping current can be used to provide useful insight into the charge transport when both channels are present. In this model, the current in junction can be described as…”

Section: Control On the Direction Of Molecular Rectificationmentioning

confidence: 94%

Ideal Current-voltage Characteristics and Rectification Performance of Molecular Rectifier under Single Level based Tunneling and Hopping Transport

Song¹,

Yu²,

Hu³

2020

Preprint

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“…In molecular junctions [4][5][6] two transport mechanisms that broadly studied are, tunneling [7][8][9][10] and hopping. [11][12][13] Tunneling mechanism is the mechanism where electron coherently tunnel through energy offset of a molecule. It has been observed that the coherent tunneling depends on the interaction between the molecule and the contact electrode, as well as energy offset between the Fermi energy level of the electrode and the molecule orbital (sometimes also referred as tunneling barrier though not very accurate).…”

Section: Introductionmentioning

confidence: 99%

Single Level Tunneling Model for Molecular Junctions: Evaluating the Simulation Methods

Martine

Song

et al. 2021

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Single level tunneling model has been the most popular model system in both the experimental and theoretical study of molecular junctions. We performed a detailed simulation study on the performance of the single level tunneling model in analyzing the charge transport mechanism of molecular junctions. Three different modeling methods, including the numerical integration of the Landauer formula and two approximated analytical formulas that are extensively used for extracting key transport parameters from current–voltage (I-V) characteristics, i.e. the energy offset and the coupling between molecule and electrode, were compared and evaluated for their applicability. The simulation of I-V plots shows that the applicability of the two approximated analytical models is energy offset and coupling strength dependent. Model fitting based on the three methods performed on experimental data attained from representative literature papers revealed that the two approximated analytical methods are neither suitable for the situation of small coupling strength and low energy offset, and they also deviated from the exact results at high bias. We finally provided a phase map of the applicability of different modeling methods as a guide for their proper usage in charge transport study in molecular devices.

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The analysis of charge transport mechanism in molecular junctions based on current-voltage characteristics

Cited by 28 publications

References 36 publications

Ideal Current-voltage Characteristics and Rectification Performance of Molecular Rectifier under Single Level based Tunneling and Hopping Transport

Ideal Current-voltage Characteristics and Rectification Performance of Molecular Rectifier under Single Level based Tunneling and Hopping Transport

Ideal Current-voltage Characteristics and Rectification Performance of Molecular Rectifier under Single Level based Tunneling and Hopping Transport

Single Level Tunneling Model for Molecular Junctions: Evaluating the Simulation Methods

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