Destructive-quantum-interference suppression in crown ether single molecule junction

Mijbil, Zainelabideen Y.; Essa, H Omran

doi:10.1140/epjb/e2020-100573-6

Cited by 3 publications

(2 citation statements)

References 41 publications

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“…Consequently, the transmission coefficient shows nodes when it has a disconnected path linking the sites 1 and N. The discontinuity occurs while the Green function goes to zero (G'=0). Hence, by adjusting the Fermi level to be zero[55,56] so as the cure will be the centre of the energy band, one can get T(EF=0) is the transmission coefficient at Fermi level (EF),' 1, N G is the 1N matrix element of the retarded Green function, and det1,N(Hmolecule) is the determinant of the molecule Hamiltonian excluding the 1 st row and the Nth column.…”

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confidence: 99%

Precise control of single-phenanthrene junction’s conductance

2022

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The electronic transmission of fifteen potential configurations of single-phenanthrene junction has been theoretically investigated. The structures include para-para, para-meta, and meta-meta combined with phenyl pendant group and substituted nitrogen atom. The results show that the para-meta, which offers a tunable antiresonance in the HOMO-LUMO gap, is the most suitable for synthesizing nano-device. The antiresonance is susceptible (unsusceptible) to the heteromotif location at site four (five). Hence, our paper presents the appropriate hetero-motif conditionstype and location-to synthesize molecular devices with the desired electronic conductance. The study also deepen the understanding of the molecular conductance by demonstrating the active and inactive sites to create and tune antiresonances. It finally introduces the essential impact of connectivity, quantum interference, and aromaticity in controlling the conductance of singlephenanthrene junction.

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confidence: 99%

Precise control of single-phenanthrene junction’s conductance

2022

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Precise Control of Single-phenanthrene Junction’s Conductance

Al-Jobory

Almeshal

Mijbil

2021

Preprint

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The electronic transmission of fifteen potential configurations of single-phenanthrene junction has been theoretically investigated. The structures include para-para, para-meta, and meta-meta combined with phenyl pendant group and substituted nitrogen atom. The results show that the para-meta, which offers a tunable antiresonance in the HOMO-LUMO gap, is the most suitable for synthesizing nano-device. The antiresonance is susceptible (unsusceptible) to the heteromotif location at site four (five). Hence, our paper presents the appropriate hetero-motif conditions—type and location— to synthesize molecular devices with the desired electronic conductance. The study also deepen the understanding of the molecular conductance by demonstrating the active and inactive sites to create and tune antiresonances. It finally introduces the essential impact of connectivity, quantum interference, and aromaticity in controlling the conductance of single-phenanthrene junction.

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Unexpected Fano resonance in deformed porphyrin

Mijbil

2021

Physica B: Condensed Matter

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Destructive-quantum-interference suppression in crown ether single molecule junction

Cited by 3 publications

References 41 publications

Precise control of single-phenanthrene junction’s conductance

Precise control of single-phenanthrene junction’s conductance

Precise Control of Single-phenanthrene Junction’s Conductance

Unexpected Fano resonance in deformed porphyrin

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