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W-Based Atomic Laminates and Their 2D Derivative W1.33C MXene with Vacancy Ordering
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.ORCID iD: 0000-0001-5036-2833
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
Chalmers Univ Technol, Sweden.
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2018 (English)In: Advanced Materials, ISSN 0935-9648, E-ISSN 1521-4095, Vol. 30, no 21, article id 1706409Article in journal (Refereed) Published
Abstract [en]

Structural design on the atomic level can provide novel chemistries of hybrid MAX phases and their MXenes. Herein, density functional theory is used to predict phase stability of quaternary i-MAX phases with in-plane chemical order and a general chemistry (W2/3M1/32)(2)AC, where M-2 = Sc, Y (W), and A = Al, Si, Ga, Ge, In, and Sn. Of over 18 compositions probed, only twowith a monoclinic C2/c structureare predicted to be stable: (W2/3Sc1/3)(2)AlC and (W2/3Y1/3)(2)AlC and indeed found to exist. Selectively etching the Al and Sc/Y atoms from these 3D laminates results in W1.33C-based MXene sheets with ordered metal divacancies. Using electrochemical experiments, this MXene is shown to be a new, promising catalyst for the hydrogen evolution reaction. The addition of yet one more element, W, to the stable of M elements known to form MAX phases, and the synthesis of a pure W-based MXene establishes that the etching of i-MAX phases is a fruitful path for creating new MXene chemistries that has hitherto been not possible, a fact that perforce increases the potential of tuning MXene properties for myriad applications.

Place, publisher, year, edition, pages
WILEY-V C H VERLAG GMBH , 2018. Vol. 30, no 21, article id 1706409
Keywords [en]
density functional theory; hydrogen evolution reaction; i-MAX phase; MXene; tungsten
National Category
Inorganic Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-148650DOI: 10.1002/adma.201706409ISI: 000434032600011PubMedID: 29633399OAI: oai:DiVA.org:liu-148650DiVA, id: diva2:1219989
Note

Funding Agencies|Swedish Research Council [642-2013-8020, 2016-04412]; Knut and Alice Wallenberg Foundation [KAW 2015.0043]; Swedish Foundation for Strategic Research (SSF) through the Synergy Grant FUNCASE; Research Infrastructure Fellow Program [RIF 14-0074]; National Science Foundation through the Catalysis Program in the Division of Chemical, Biological, Environmental and Transport Systems [1602886]

Available from: 2018-06-18 Created: 2018-06-18 Last updated: 2019-06-28

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Meshkian, RaheleDahlqvist, MartinLu, JunHalim, JosephThörnberg, JimmyTao, QuanzhengYildizhan, MelikePalisaitis, JustinasHultman, LarsPersson, Per O ARosén, Johanna
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