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• W2000643509 abstract "The energetic stability, electronic, and structural properties of graphene adsorbed on the amorphous HfO${}_{2}$ surface (G/HfO${}_{2}$) have been examined through ab initio theoretical investigations. We have considered the graphene adsorption on (i) defect-free (pristine) and defective HfO${}_{2}$ surfaces, (ii) oxygen vacancy, and (iii) interstitial oxygen atoms. We find that the formation of G/HfO${}_{2}$ is an exothermic process, ruled by van der Waals interactions. In (i) and (iii) there is no net charge transfer between the graphene and the HfO${}_{2}$ surface. In contrast, upon the presence of oxygen vacancy, the adsorbed graphene sheet becomes $n$-type doped, due to a donor level lying above the Dirac point of the graphene. The absence of G--HfO${}_{2}$ chemical bonds has been maintained, however, the graphene adsorption energy increases when compared with (i) and (iii). Finally, in (ii) we find that HfO${}_{2}$ surface potential becomes more inhomogeneous, strengthening the formation of electron- and hole-rich regions on the graphene sheet." @default.
• W2000643509 created "2016-06-24" @default.
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• W2000643509 date "2013-04-25" @default.
• W2000643509 modified "2023-09-25" @default.
• W2000643509 title "Graphene on amorphous HfO<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>surface: An<i>ab initio</i>investigation" @default.
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• W2000643509 doi "https://doi.org/10.1103/physrevb.87.165307" @default.
• W2000643509 hasPublicationYear "2013" @default.
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