Prediction and synthesis of a family of atomic laminate phases with Kagomé-like and in-plane chemical ordering | Zendy

Martin Dahlqvist | Zendy; Jun Lu | Zendy; Rahele Meshkian | Zendy; Quanzheng Tao | Zendy; Lars Hultman | Zendy; Johanna Rosén | Zendy

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Prediction and synthesis of a family of atomic laminate phases with Kagomé-like and in-plane chemical ordering

Author(s) -

Martin Dahlqvist,

Jun Lu,

Rahele Meshkian,

Quanzheng Tao,

Lars Hultman,

Johanna Rosén

Publication year - 2017

Publication title -

science advances

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.928

H-Index - 146

ISSN - 2375-2548

DOI - 10.1126/sciadv.1700642

Subject(s) - plane (geometry) , materials science , condensed matter physics , nanotechnology , physics , geometry , mathematics

oai:DiVA.org:liu-141941The 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.

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]

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