Tailoring Magnetism of Graphene Nanoflakes via Tip-Controlled Dehydrogenation.

Zhao, Chenxiao; Huang, Qiang; Valenta, Leoš; Eimre, Kristjan; Yang, Lin; Yakutovich, Aliaksandr V; Xu, Wangwei; Ma, Ji; Feng, Xinliang; Juríček, Michal; Fasel, Roman; Ruffieux, Pascal; Pignedoli, Carlo A (2024). Tailoring Magnetism of Graphene Nanoflakes via Tip-Controlled Dehydrogenation. Physical review letters, 132(4) American Physical Society 10.1103/PhysRevLett.132.046201

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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, we apply a site-specific dehydrogenation using a scanning tunneling microscope tip to nanographenes deposited on a Au(111) substrate, which shows the capability of precisely tailoring the underlying π-electron system and therefore efficiently manipulating their magnetism. Through first-principles calculations and tight-binding mean-field-Hubbard modeling, we demonstrate 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.

Item Type:

Journal Article (Original Article)

Division/Institute:

08 Faculty of Science > Department of Chemistry, Biochemistry and Pharmaceutical Sciences (DCBP)

UniBE Contributor:

Fasel, Roman

Subjects:

500 Science > 570 Life sciences; biology
500 Science > 540 Chemistry

ISSN:

1079-7114

Publisher:

American Physical Society

Language:

English

Submitter:

Pubmed Import

Date Deposited:

13 Feb 2024 09:39

Last Modified:

13 Feb 2024 09:47

Publisher DOI:

10.1103/PhysRevLett.132.046201

PubMed ID:

38335341

BORIS DOI:

10.48350/192752

URI:

https://boris.unibe.ch/id/eprint/192752

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