Robust quantum engineering of current flow in carbon nanostructures at room temperature

Fuente: arXiv
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Main Authors: Calogero, Gaetano, Alcón, Isaac, Kaya, Onurcan, Papior, Nick, Cummings, Aron W., Brandbyge, Mads, Roche, Stephan
Format: Preprint
Published: 2024
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author Calogero, Gaetano
Alcón, Isaac
Kaya, Onurcan
Papior, Nick
Cummings, Aron W.
Brandbyge, Mads
Roche, Stephan
author_facet Calogero, Gaetano
Alcón, Isaac
Kaya, Onurcan
Papior, Nick
Cummings, Aron W.
Brandbyge, Mads
Roche, Stephan
contents Bottom-up on-surface synthesis enables the fabrication of carbon nanostructures with atomic precision. Good examples are graphene nanoribbons (GNRs), 1D conjugated polymers, and nanoporous graphenes (NPGs), which are gathering increasing attention for future carbon nanoelectronics. A key step is the ability to manipulate current flow within these nanomaterials. Destructive quantum interference (QI), long studied in the field of single-molecule electronics, has been proposed as the most effective way to achieve such control with molecular-scale precision. However, for practical applications, it is essential that such QI-engineering remains effective near or above room temperature. To assess this important point, here we combine large-scale molecular dynamics simulations and quantum transport calculations and focus our study on NPGs formed as arrays of laterally bonded GNRs. By considering various NPGs with different inter-GNR chemical connections we disentangle the different factors determining electronic transport in these carbon nanomaterials at 300 K. Our findings unequivocally demonstrate that QI survives at room temperature, with thermal vibrations weakly restricting current flow along GNRs while completely blocking transport across GNRs. Our results thus pave the way towards the future realization of QI-engineered carbon nanocircuitry operating at room temperature, which is a fundamental step towards carbon-based nanoelectronics and quantum technologies.
format Preprint
id arxiv_https___arxiv_org_abs_2407_08310
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Robust quantum engineering of current flow in carbon nanostructures at room temperature
Calogero, Gaetano
Alcón, Isaac
Kaya, Onurcan
Papior, Nick
Cummings, Aron W.
Brandbyge, Mads
Roche, Stephan
Mesoscale and Nanoscale Physics
Materials Science
Bottom-up on-surface synthesis enables the fabrication of carbon nanostructures with atomic precision. Good examples are graphene nanoribbons (GNRs), 1D conjugated polymers, and nanoporous graphenes (NPGs), which are gathering increasing attention for future carbon nanoelectronics. A key step is the ability to manipulate current flow within these nanomaterials. Destructive quantum interference (QI), long studied in the field of single-molecule electronics, has been proposed as the most effective way to achieve such control with molecular-scale precision. However, for practical applications, it is essential that such QI-engineering remains effective near or above room temperature. To assess this important point, here we combine large-scale molecular dynamics simulations and quantum transport calculations and focus our study on NPGs formed as arrays of laterally bonded GNRs. By considering various NPGs with different inter-GNR chemical connections we disentangle the different factors determining electronic transport in these carbon nanomaterials at 300 K. Our findings unequivocally demonstrate that QI survives at room temperature, with thermal vibrations weakly restricting current flow along GNRs while completely blocking transport across GNRs. Our results thus pave the way towards the future realization of QI-engineered carbon nanocircuitry operating at room temperature, which is a fundamental step towards carbon-based nanoelectronics and quantum technologies.
title Robust quantum engineering of current flow in carbon nanostructures at room temperature
topic Mesoscale and Nanoscale Physics
Materials Science
url https://arxiv.org/abs/2407.08310