Abstract

Bottom-up on-surface synthesis enables the fabrication of carbon nanostructures with atomic precision. This work combines large-scale molecular dynamics simulations and quantum transport calculations to assess whether destructive quantum-interference engineering in nanoporous graphenes survives at room temperature. The authors study pristine graphene, the original nanoporous graphene, and para- and meta-connected nanoporous graphenes, using MD-Landauer transport and DFT band-structure calculations. They find that quantum interference remains effective at 300 K, with thermal vibrations weakly affecting transport along graphene nanoribbons while strongly suppressing transport across them, especially in meta-connected structures.

Abstract

Bottom-up on-surface synthesis enables the fabrication of carbon nanostructures with atomic precision. This work combines large-scale molecular dynamics simulations and quantum transport calculations to assess whether destructive quantum-interference engineering in nanoporous graphenes survives at room temperature. The authors study pristine graphene, the original nanoporous graphene, and para- and meta-connected nanoporous graphenes, using MD-Landauer transport and DFT band-structure calculations. They find that quantum interference remains effective at 300 K, with thermal vibrations weakly affecting transport along graphene nanoribbons while strongly suppressing transport across them, especially in meta-connected structures.

Abstract

Bottom-up on-surface synthesis enables the fabrication of carbon nanostructures with atomic precision. This work combines large-scale molecular dynamics simulations and quantum transport calculations to assess whether destructive quantum-interference engineering in nanoporous graphenes survives at room temperature. The authors study pristine graphene, the original nanoporous graphene, and para- and meta-connected nanoporous graphenes, using MD-Landauer transport and DFT band-structure calculations. They find that quantum interference remains effective at 300 K, with thermal vibrations weakly affecting transport along graphene nanoribbons while strongly suppressing transport across them, especially in meta-connected structures.

Abstract

Bottom-up on-surface synthesis enables the fabrication of carbon nanostructures with atomic precision. This work combines large-scale molecular dynamics simulations and quantum transport calculations to assess whether destructive quantum-interference engineering in nanoporous graphenes survives at room temperature. The authors study pristine graphene, the original nanoporous graphene, and para- and meta-connected nanoporous graphenes, using MD-Landauer transport and DFT band-structure calculations. They find that quantum interference remains effective at 300 K, with thermal vibrations weakly affecting transport along graphene nanoribbons while strongly suppressing transport across them, especially in meta-connected structures.