Hydrogen Atoms on Zigzag Graphene Nanoribbons: Chemistry and Magnetism Meet at the Edge.
Nano Lett
; 22(5): 1922-1928, 2022 03 09.
Article
em En
| MEDLINE
| ID: mdl-35167308
ABSTRACT
Although the unconventional π-magnetism at the zigzag edges of graphene holds promise for a wide array of applications, whether and to what degree it plays a role in their chemistry remains poorly understood. Here, we investigate the addition of a hydrogen atomâthe simplest yet the most experimentally relevant adsorbateâto zigzag graphene nanoribbons (ZGNRs). We show that the π-magnetism governs the chemistry of ZGNRs, giving rise to a site-dependent reactivity of the carbon atoms and driving the hydrogenation process to the nanoribbon edges. Conversely, the chemisorbed hydrogen atom governs the π-magnetism of ZGNRs, acting as a spin-1/2 paramagnetic center in the otherwise antiferromagnetic ground state and spin-polarizing the charge carriers at the band extrema. Our findings establish a comprehensive picture of the peculiar interplay between chemistry and magnetism that emerges at the zigzag edges of graphene.
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Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Nanotubos de Carbono
/
Grafite
Idioma:
En
Revista:
Nano Lett
Ano de publicação:
2022
Tipo de documento:
Article
País de afiliação:
Estados Unidos