2026-06-24T03:10:45Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:2193 2024-05-23T13:28:48Z openaire_data community-mcarchive

Zhao, Chenxiao Ruffieux, Pascal Pignedoli, Carlo A. Zhao, Chenxiao Huang, Qiang Valenta, Leoš Eimre, Kristjan Yang, Lin V. Yakutovich, Aliaksandr Xu, Wangwei Feng, Xinliang Juríček, Michal Fasel, Roman Ruffieux, Pascal Pignedoli, Carlo A. 2024-05-23 Atomically precise graphene nanoflakes called nanographenes have emerged as a promising platform to realize carbon magnetism. Their ground state spin configuration can be anticipated by Ovchinnikov-Lieb rules based on the mismatch of π electrons from two sublattices. While rational geometrical design achieves specific spin configurations, further direct control over the π electrons offers a desirable extension for efficient spin manipulations and potential quantum device operations. To this end, in a recent publication, we applied a site-specific dehydrogenation using a scanning tunneling microscope tip to nanographenes deposited on a Au(111) substrate, which showed the capability of precisely tailoring the underlying π-electron system and therefore efficiently manipulating their magnetism. Through first-principles calculations and tight-binding meanfield-Hubbard modeling, we demonstrated that the dehydrogenation-induced Au—C bond formation along with the resulting hybridization between frontier π orbitals and Au substrate states effectively eliminate the unpaired π electron. Our results establish an efficient technique for controlling the magnetism of nanographenes. This record contains data that support the scientific results discussed in our manuscript. application/octet-stream application/gzip application/octet-stream text/markdown https://doi.org/10.24435/materialscloud:yh-fj oai:materialscloud.org:2193 mcid:2024.79 eng Materials Cloud https://doi.org/10.1103/PhysRevLett.132.046201 https://renkulab.io/projects/new?data=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 https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:ap-n2 info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode magnetic nanographene CSCS MARVEL/P4 SNSF DFT STM on surface synthesis Tailoring magnetism of graphene nanoflakes via tip-controlled dehydrogenation info:eu-repo/semantics/other