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W-Based Atomic Laminates and Their 2D Derivative W1.33C MXene with Vacancy Ordering
Journal article   Peer reviewed

W-Based Atomic Laminates and Their 2D Derivative W1.33C MXene with Vacancy Ordering

Rahele Meshkian, Martin Dahlqvist, Jun Lu, Bjorn Wickman, Joseph Halim, Jimmy Thörnberg, Quanzheng Tao, Shixuan Li, Saad Intikhab, Joshua Snyder, …
Advanced materials (Weinheim), v 30(21), pn/a
2018
PMID: 29633399

Abstract

Chemical Sciences density functional theory; hydrogen evolution reaction; i-MAX phase; MXene; tungsten Inorganic Chemistry Kemi Natural Sciences Naturvetenskap Oorganisk kemi
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.

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Collaboration types
Domestic collaboration
International collaboration
Web of Science research areas
Chemistry, Multidisciplinary
Chemistry, Physical
Materials Science, Multidisciplinary
Nanoscience & Nanotechnology
Physics, Applied
Physics, Condensed Matter
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