Gate Control of Artificial Single-Molecule Electric Machines

Hsu, Liang‐Yan; Chen, Chun Yin; Li, Elise Y.; Rabitz, Herschel

doi:10.1021/jp511941w

Cited by 5 publications

(7 citation statements)

References 48 publications

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“…Considering the success of gated systems in the past, it would be desirable that an electric field could efficiently bias the conductance in the Y-axis, modifying the torsion angle by interaction with the dipolar moment in the mobile subunit. [26][27][28] With these premises we have found using SIESTA-based DFT calculations that despite the absence of hexagonal symmetry in the quasi 2D materials proposed in this work, they present asymmetric Dirac-type cones, which can be strongly modified in the presence of an external stimulus. A case of study using a gate electrode is also presented.…”

Section: Introductionmentioning

confidence: 55%

Two-dimensional carbon-based conductive materials with dynamically controlled asymmetric Dirac cones

Miguel

Márquez

Cienfuegos

et al. 2015

Phys. Chem. Chem. Phys.

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The design of two dimensional graphene-type materials with an anisotropic electron flow direction in the X- and Y-axes opens the door for the development of novel electronic materials with multiple functions in nanoelectronics. In the present work, we have studied the electronic transport properties of a new family of 2D graphene-graphyne hybrids presenting conformationally free phenylethylene subunits. This system ensures two different conductive pathways that are perpendicular to each other: an acene nanoribbon subunit, in the X-axis, with graphene-type conduction, and a free to rotate phenylethylene subunit, in the Y-axis, in which the magnitude of the conduction depends dynamically on the corresponding torsion angle. Our calculations have confirmed that this system presents two different conduction pathways, which are related to the presence of asymmetric Dirac-type cones. Moreover, the Dirac cones can be dynamically modified in the presence of an external gate electrode, which is unprecedented in the literature.

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Section: Introductionmentioning

confidence: 55%

Two-dimensional carbon-based conductive materials with dynamically controlled asymmetric Dirac cones

Miguel

Márquez

Cienfuegos

et al. 2015

Phys. Chem. Chem. Phys.

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“…First, our analysis was made in the wide band limit that does not involve memory effects. Third, for simplicity we investigate light-driven transport through PAM within the Hückel-type Hamiltonian, but our Floquet-scattering can be combined with a more realistic model, e.g., a molecular Hamiltonian computed from the density-functional theory in a maximally localized Wannier function representation 29,30 . Thus, a next step is to develop a more general formulation which enables dealing with the surface Green's function of the electrodes.…”

Section: Discussionmentioning

confidence: 99%

“…First, pathway differences in a molecular network can lead to destructive quantum interference 16,25,29,[49][50][51][52][53][54][55] , which can be exploited to form single-molecule optoelectronic switches 25 , single-molecule electric revolving doors 29,30 , and quantum interference effect transistors 50,51 . First, pathway differences in a molecular network can lead to destructive quantum interference 16,25,29,[49][50][51][52][53][54][55] , which can be exploited to form single-molecule optoelectronic switches 25 , single-molecule electric revolving doors 29,30 , and quantum interference effect transistors 50,51 .…”

Section: Introductionmentioning

confidence: 99%

“…For a practical device, the capability of manipulating current by external fields is necessary. Therefore, control of electron transport, e.g., by means of light [25][26][27][28] or gate electrodes, 10,13,[29][30][31] is a primary issue for molecular electronics.…”

Section: Introductionmentioning

confidence: 99%

“…First, pathway differences in a molecular network can lead to destructive quantum interference, 16,25,29,[49][50][51][52][53][54][55] which can be exploited to form single-molecule optoelectronic switches, 25 single-molecule electric revolving doors, 29,30 and quantum interference effect transistors. 50,51 Tunneling with destructive quantum interference has been experimentally observed in aromatic hydrocarbons 16,56 and cross-conjugated molecules 14,15 at room temperature, indicating that molecular structure plays a key role in coherent quantum transport.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Coherent light-driven electron transport through polycyclic aromatic hydrocarbon: laser frequency, field intensity, and polarization angle dependence

Hsu

Rabitz

2015

Phys. Chem. Chem. Phys.

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A laser field is a potential control tool for operating ultrafast electronic devices due to a wide variety of options such as field strength, frequency, and polarization. To investigate these variables upon electron transport through a single-molecule device, we simulate a phenyl-acetylene macrocycle (PAM) within a linear-polarized laser field using single-particle Green's functions combined with the non-Hermitian Floquet theory. In the absence of the laser field, the PAM behaves as a perfect insulator due to destructive quantum interference. In the weak-field regime, field-amplitude power laws for one-, two-, and three-photon assisted tunneling are evident in the computational results. The study reveals a range of experimentally feasible field strengths for the observation of picoampere current caused by photon assisted tunneling. In addition, we find that the light-driven current is proportional to the cosine square of the polarization angle, and molecular electronic structure is revealed by the current-frequency characteristics. The origin of these behaviors is established using non-Hermitian Floquet perturbation analysis. The computations show that PAM-based optoelectronic switches have robust large on-off switching ratios under weak-field operating conditions, which are not sensitive to asymmetric molecule-lead couplings.

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Tuning Conductance in Aromatic Molecules: Constructive and Counteractive Substituent Effects

2016

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Destructive quantum interference in aromatic hydrocarbons can be tuned using chemical substituents; however, classical chemical intuition is not enough to explain the effects on electron transport. Using Hückel theory and density functional theory calculations, in combination with the Landauer–Büttiker approach for charge transport, novel substituent effects are demonstrated. For a 1,3-linked benzene, an electron acceptor in position 2 is shown to have the same effect on the antiresonance energy as an electron donor in position 4 and vice versa. Substituents in position 5 have no effect on the antiresonance energy. The effects appear to be additive, such that a donor in position 2 will counteract a donor in position 4, leading to cancellation of the substituent effect. Counter- and nonactive substituent positions exist for all aromatic hydrocarbons and can be predicted using a diagrammatic approach. This insight should be useful when substituents are to be used for tuning destructive quantum interference features in the transmission relative to the Fermi energy of the electrodes.

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Gate Control of Artificial Single-Molecule Electric Machines

Cited by 5 publications

References 48 publications

Two-dimensional carbon-based conductive materials with dynamically controlled asymmetric Dirac cones

Two-dimensional carbon-based conductive materials with dynamically controlled asymmetric Dirac cones

Coherent light-driven electron transport through polycyclic aromatic hydrocarbon: laser frequency, field intensity, and polarization angle dependence

Tuning Conductance in Aromatic Molecules: Constructive and Counteractive Substituent Effects

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