Browsing Artículos by Author "Ugartemendia Biurrun, Andoni"

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      Deciphering the chemical bonding of the trivalent oxygen atom in oxygen doped graphene 

      Ugartemendia Biurrun, Andoni; Casademont i Reig, Irene; Zhao, Lili; Zhang, Zuxian; Frenking, Gernot; Ugalde Uribe-Etxebarria, Jesús; García Lekue, Aran; Jiménez Izal, Elisa (RSC, 2024)
      Recently, planar and neutral tricoordinated oxygen embedded in graphene has been imaged experimentally (Nat. Commun., 2019, 10, 4570–4577). In this work, this unusual chemical species is studied utilizing a variety of ...
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      Tailoring magnetism in silicon-doped zigzag graphene edges 

      Ugartemendia Biurrun, Andoni; García Lekue, Aran; Jiménez Izal, Elisa (Nature, 2022)
      Recently, the edges of single-layer graphene have been experimentally doped with silicon atoms by means of scanning transmission electron microscopy. In this work, density functional theory is applied to model and characterize ...