Article On-surface synthesis of nonbenzenoid nanographenes through skeletal rearrangement reactions on Au(111)

Kewei Sun (Center for Basic Research on Materials, National Institute for Materials Science, National Institute for Materials Science) ; Xiushang Xu (Okinawa Institute of Science and Technology Graduate University) ; Atsushi Ishikawa (Institute of Science Tokyo) ; Akimitsu Narita (Okinawa Institute of Science and Technology Graduate University) ; Shigeki Kawai SAMURAI ORCID (Center for Basic Research on Materials, National Institute for Materials Science)

20260217 On-surface synthesis of nonbenzenoid nanographenes through skeletal rearrangement reactions on Au 111 .pdf
Download file (8.1 MB)
Download as zip (7.59 MB)
Collection

Citation
Kewei Sun, Xiushang Xu, Atsushi Ishikawa, Akimitsu Narita, Shigeki Kawai. On-surface synthesis of nonbenzenoid nanographenes through skeletal rearrangement reactions on Au(111). Science and Technology of Advanced Materials. 2026, 27 (1), 2619342. https://doi.org/10.1080/14686996.2026.2619342

Description:

(abstract)

Skeletal rearrangement reaction is a class of important chemical reactions to synthesize various constitutional isomers from a given precursor molecule. This approach allows the synthesis of diverse nanographenes incorporating five- and seven-membered rings, thereby tuning their chemical and physical properties. Here, we present formation of five types of closed-shell and two types of open-shell nanographenes on Au(111) via carbon rearrangements of 7-(2,6-dimethylphenyl)-12-[10-(2,6-dimethylphenyl)anthracen-9-yl]tetraphene. The structural, electronic, and magnetic properties of various products composed of pentagonal or pentagonal/heptagonal rings were in-detail investigated with a combination of bond-resolved scanning tunneling microscopy/scanning tunneling spectroscopy at 4.3 K and density functional theory calculations. We found that both zigzag edges and fused pentagonal rings significantly affect the band gap and the spin polarization. This discovery could facilitate the on-surface synthesis of intriguing carbon nanostructures through skeletal rearrangement.

Rights:

Keyword: scanning tunneling microscopy, Skeletal rearrangement reaction, Nanographene synthesis, Pentagonal and heptagonal carbon rings, Open-shell and closed-shell nanographenes, Density functional theory (DFT) calculations, On-surface carbon rearrangement

Date published: 2026-12-31

Publisher: Informa UK Limited

Journal:

  • Science and Technology of Advanced Materials (ISSN: 14686996) vol. 27 issue. 1 2619342

Funding:

  • the Japan Society for the Promotion of Science 24K21721
  • the Japan Society for the Promotion of Science 19K24686
  • the Japan Society for the Promotion of Science 24K01474
  • the Japan Society for the Promotion of Science 25H00422

Manuscript type: Publisher's version (Version of record)

MDR DOI:

First published URL: https://doi.org/10.1080/14686996.2026.2619342

Related item:

Other identifier(s):

Contact agent:

Updated at: 2026-02-19 16:30:04 +0900

Published on MDR: 2026-02-19 14:09:19 +0900

Filename Size
Filename 20260217 On-surface synthesis of nonbenzenoid nanographenes through skeletal rearrangement reactions on Au 111 .pdf (Thumbnail)
application/pdf 		Size 8.1 MB Detail