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W-Based Atomic Laminates and Their 2D Derivative W1.33C MXene with Vacancy Ordering
Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.ORCID-id: 0000-0001-5036-2833
Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
Chalmers Univ Technol, Sweden.
Vise andre og tillknytning
2018 (engelsk)Inngår i: Advanced Materials, ISSN 0935-9648, E-ISSN 1521-4095, Vol. 30, nr 21, artikkel-id 1706409Artikkel i tidsskrift (Fagfellevurdert) 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.

sted, utgiver, år, opplag, sider
WILEY-V C H VERLAG GMBH , 2018. Vol. 30, nr 21, artikkel-id 1706409
Emneord [en]
density functional theory; hydrogen evolution reaction; i-MAX phase; MXene; tungsten
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Identifikatorer
URN: urn:nbn:se:liu:diva-148650DOI: 10.1002/adma.201706409ISI: 000434032600011PubMedID: 29633399OAI: oai:DiVA.org:liu-148650DiVA, id: diva2:1219989
Merknad

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]

Tilgjengelig fra: 2018-06-18 Laget: 2018-06-18 Sist oppdatert: 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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