Charge transport and electron-hole asymmetry in low-mobility graphene/hexagonal boron nitride heterostructures

Li, Jiayu; Huang, Guang-Yao; Kang, Ning; Zhang, Jincan; Peng, Hailin; Liu, Zhongfan; Xu, Hongqi

doi:10.1063/1.5009742

Cited by 3 publications

(1 citation statement)

References 33 publications

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“…Molecular electronics is the science of electronics engineering at the nanoscale or molecular level. − In this respect, the mechanism and rate of charge transport through a molecular device play the key role in the analysis of molecular conduction phenomenon that depends on the spatial position and coupling between the molecular device’s components . There exist several types of nanoscale electronic devices including molecular capacitors, transistors, diodes, wires, etc., and too many research works have been conducted to inspect conduction properties of these devices when exposed to an external potential or acting as an electronic component in a circuit. − …”

Section: Introductionmentioning

confidence: 99%

Evaluation of Charge and Energy Storage in Molecular Nanocapacitors

Azami

Kheirmand

2023

J. Phys. Chem. A

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A model is presented herein for the evaluation of stored charge and energy in molecular-scale capacitors composed of parallel nanosheets. In this model, the nanocapacitor is exposed to an external electric field, and the charging process is considered as a three-stage mechanism, including isolated, exposed, and frozen stages, where each stage possesses its own Hamiltonian and wavefunction. In this way, the third stage’s Hamiltonian is the same as that of the first stage, while its wavefunction is frozen to that of the second stage, and consequently, stored energy can be calculated as the expectation value of second stage’s wavefunction with respect to the first stage’s Hamiltonian. Electron density is then integrated over half-space, i.e., the space separated by a virtual plane located at the middle and parallel to electrodes, to reveal stored charge on nanosheets. The formalism is applied to two parallel hexagonal graphene flakes as nanocapacitor’s electrodes, and results are compared with experimental values of similar systems.

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Section: Introductionmentioning

confidence: 99%

Evaluation of Charge and Energy Storage in Molecular Nanocapacitors

Azami

Kheirmand

2023

J. Phys. Chem. A

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Asymmetric deformation density analysis in carbon nanotubes

Amini

Azami

2020

Int J of Quantum Chemistry

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Electrons and holes as charge carriers appear when a molecular system is exposed to external electric field. For nonsymmetric molecules, the distribution of charge carriers is also nonsymmetric. Although symmetric distribution of charge carriers is expected when the molecular system is symmetric, as the present work shows, they are not symmetric unexpectedly; that is, electrons and holes are not each other's mirror images. In this respect, asymmetric deformation density analysis is introduced to measure the extent of asymmetric distribution of electrons and holes as charge carriers when the symmetric system is exposed to symmetric external potential. Segments of (5,0) carbon nanotubes with different lengths are selected as symmetric systems, and a linear electric field is applied along the principal axis as symmetric potential. Results show that, at high electric fields, electrons tend to localize at the ends, while holes tend to occupy the middle area of carbon nanotube segments. While charge carriers play a vital role in molecular conductivity, asymmetric distribution of electrons and holes in symmetric systems has not yet been reported.

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