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Nonwetting Behavior of Al–Co Quasicrystalline Approximants Owing to Their Unique Electronic Structures

Anand, Kanika and Fournée, Vincent and Prévot, Geoffroy and Ledieu, Julian and Gaudry, Émilie Nonwetting Behavior of Al–Co Quasicrystalline Approximants Owing to Their Unique Electronic Structures. (2020) ACS Applied Materials and Interfaces, 12 (13). 15793-15801. ISSN 1944-8244

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Official URL: https://doi.org/10.1021/acsami.9b20653

Abstract

Good wetting is generally observed for liquid metals on metallic substrates, while poor wetting usually occurs for metals on insulating oxides. In this work, we report unexpected large contact angles for lead on two metallic approximants to decagonal quasicrystals, namely, Al5Co2 and Al13Co4. Intrinsic surface wettability is predicted from first principles, using a thermodynamic model based on the Young equation, and validated by the good agreement with experimental measurements performed under ultra-high vacuum by scanning electron microscopy. The atomistic details of the atomic and electronic structures at the Pb-substrate interface, and the comparison with Pb(111)/Al(111), underline the influence of the specific electronic structures of quasicrystalline approximants on wetting. Our work suggests a possible correlation of the contact angles with the density of states at the Fermi energy and paves the way for a better fundamental understanding of wettability on intermetallic substrates, which has potential consequences in several applications such as supported catalysts, protective coatings, or crystal growth.

Item Type:Article
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Université de Toulouse > Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)
Other partners > Sorbonne Université (FRANCE)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UT3 (FRANCE)
Other partners > Université de Lorraine (FRANCE)
Laboratory name:
Funders:
European Consortium ECMetAC - European Union under the program “FEDER-FSE Lorraine et Massif des Vosges 2014-2020” - COnception in silico de Matériaux pour l’EnvironnemenT et l’Energie - COMETE - EXPLOR center hosted by Université de Lorraine (grant M4XXX0108) - Grand Equipement National de Calcul Intensif - GENCI, allocation 99642
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Deposited On:20 Apr 2021 13:33

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