Interface-driven formation of a two-dimensional dodecagonal fullerene quasicrystal

Nature Communications
M PaßensS Karthäuser

Abstract

Since their discovery, quasicrystals have attracted continuous research interest due to their unique structural and physical properties. Recently, it was demonstrated that dodecagonal quasicrystals could be used as bandgap materials in next-generation photonic devices. However, a full understanding of the formation mechanism of quasicrystals is necessary to control their physical properties. Here we report the formation of a two-dimensional dodecagonal fullerene quasicrystal on a Pt3Ti(111) surface, which can be described in terms of a square-triangle tiling. Employing density functional theory calculations, we identify the complex adsorption energy landscape of the Pt-terminated Pt3Ti surface that is responsible for the quasicrystal formation. We demonstrate the presence of quasicrystal-specific phason strain, which provides the degree of freedom required to accommodate the quasicrystalline structure on the periodic substrate. Our results reveal detailed insight into an interface-driven formation mechanism and open the way to the creation of tailored fullerene quasicrystals with specific physical properties.

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Citations

Mar 2, 2019·Acta Crystallographica. Section A, Foundations and Advances·Sebastian SchenkWolf Widdra
Dec 24, 2018·Acta Crystallographica. Section A, Foundations and Advances·M Paßens, S Karthäuser
Feb 11, 2021·Proceedings of the National Academy of Sciences of the United States of America·Kwanghwi JeSharon C Glotzer
Mar 5, 2019·Journal of the American Chemical Society·Longfei LiuChengde Mao

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Methods Mentioned

BETA
electron
scanning tunnelling microscopy

Software Mentioned

Vienna ab - initio simulation package ( VASP )

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