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Prediction and synthesis of a family of atomic laminate phases with Kagome-like and in-plane chemical ordering
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0001-5036-2833
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
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2017 (English)In: Science Advances, ISSN 0036-8156, E-ISSN 2375-2548, Vol. 3, no 7, article id e1700642Article in journal (Refereed) Published
Abstract [en]

The enigma of MAX phases and their hybrids prevails. We probe transition metal (M) alloying in MAX phases for metal size, electronegativity, and electron configuration, and discover ordering in these MAX hybrids, namely, (V2/3Zr1/3)(2)AlC and (Mo2/3Y1/3)(2)AlC. Predictive theory and verifying materials synthesis, including a judicious choice of alloying M from groups III to VI and periods 4 and 5, indicate a potentially large family of thermodynamically stable phases, with Kagome-like and in-plane chemical ordering, and with incorporation of elements previously not known for MAX phases, including the common Y. We propose the structure to be monoclinic C2/c. As an extension of the work, we suggest a matching set of novel MXenes, from selective etching of the A-element. The demonstrated structural design on simultaneous two-dimensional (2D) and 3D atomic levels expands the property tuning potential of functional materials.

Place, publisher, year, edition, pages
AMER ASSOC ADVANCEMENT SCIENCE , 2017. Vol. 3, no 7, article id e1700642
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Atom and Molecular Physics and Optics
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URN: urn:nbn:se:liu:diva-141941DOI: 10.1126/sciadv.1700642ISI: 000411588000041PubMedID: 28776034OAI: oai:DiVA.org:liu-141941DiVA, id: diva2:1149166
Note

Funding Agencies|Swedish Foundation for Strategic Research; Knut and Alice Wallenberg (KAW) Foundation [KAW 2015.0043]; Linkping Ultra Electron Microscopy Laboratory; [6212012-4425]; [621-2013-4018]; [642-2013-8020]

Available from: 2017-10-13 Created: 2017-10-13 Last updated: 2017-11-06

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