Robust quantum engineering of current flow in carbon nanostructures at room temperature
Calogero, Gaetano (Consiglio Nazionale delle Ricerche. Istituto per la Microelettronica e i Microsistemi)
Alcón, Isaac (Institut Català de Nanociència i Nanotecnologia)
Kaya, Onurcan (Universitat Autònoma de Barcelona. Departament d'Enginyeria Electrònica)
Papior, Nick (Technical University of Denmark. Computing Center)
Cummings, Aron (Institut Català de Nanociència i Nanotecnologia)
Brandbyge, Mads (Technical University of Denmark. Department of Physics)
Roche, Stephan (Institut Català de Nanociència i Nanotecnologia)

Data:	2025
Resum:	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.
Ajuts:	Ministerio de Ciencia e Innovación FJC2019-038971-I European Commission 101034328 Agencia Estatal de Investigación PID2019-106684GB-I00 Agencia Estatal de Investigación PID2022-138283NB-I00 Agencia Estatal de Investigación CEX2021-001214-S
Nota:	Altres ajuts: CERCA Programme/Generalitat de Catalunya
Drets:	Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, i la comunicació pública de l'obra, sempre que no sigui amb finalitats comercials, i sempre que es reconegui l'autoria de l'obra original. No es permet la creació d'obres derivades.
Llengua:	Anglès
Document:	Article ; recerca ; Versió acceptada per publicar
Matèria:	Quantum transport ; Green's functions ; Nanoporous graphenes ; 2D materials ; Nanoelectronics ; Quantum-interference engineering
Publicat a:	Carbon, Vol. 234 (March 2025) , art. 119950, ISSN 0008-6223

DOI: 10.1016/j.carbon.2024.119950

Disponible a partir de: 2027-03-31 Postprint

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