Journal Article

FZJ-2026-04005

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Negative differential resistance and transport regularity in aromatic cyclo[ n ]carbon-based ( n = 4 k + 2) molecular devices

Guo, J. ; Li, J. ; Huang, J. ; Fang, W. ; Zhang, L.FZJ* ; Wu, W. (Corresponding author) ; Li, H. (Corresponding author)

2025
RSC London ˜[u.a.]œ

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Please use a persistent id in citations: doi:10.1039/D5TC00070J

Abstract: Cyclo[18]carbon (C18), which has been successfully synthesized and extensively studied, exhibits unique electronic transport properties. Cyclo[n]carbons (Cn, n = 4k + 2), sharing a similar π-electron conjugation with C18, potentially demonstrate comparable or even superior transport characteristics. In this study, three Cn devices with different types of electrodes have been investigated using density functional theory combined with the nonequilibrium Green's function. Our findings reveal that the devices with large-diameter carbon rings tend to exhibit the negative differential resistance (NDR) effect. The magnitude, position, and number of NDR peaks are remarkably affected by the number of carbon atoms and the type of electrode. However, the NDR effect does not appear in devices with odd-numbered rings. This study sheds light on the remarkable electronic transport properties of Cn molecules and offers valuable insights for the development of advanced carbon-based molecular devices.

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (PGI-1)

Research Program(s):

1. 5211 - Topological Matter (POF4-521) (POF4-521)

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Database coverage:
; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF >= 5 ; JCR ; National-Konsortium ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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