W-Based Atomic Laminates and Their 2D Derivative W1.33C MXene with Vacancy Ordering
Journal article, 2018

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 (W 2/3 M 2 1/3 ) 2 AC, where M 2 = Sc, Y (W), and A = Al, Si, Ga, Ge, In, and Sn. Of over 18 compositions probed, only two—with a monoclinic C2/c structure—are predicted to be stable: (W 2/3 Sc 1/3 ) 2 AlC and (W 2/3 Y 1/3 ) 2 AlC and indeed found to exist. Selectively etching the Al and Sc/Y atoms from these 3D laminates results in W 1.33 C-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.

i-MAX phase

tungsten

hydrogen evolution reaction

MXene

density functional theory

Author

Rahele Meshkian

Linköping University

Martin Dahlqvist

Linköping University

Jun Lu

Linköping University

Björn Wickman

Chalmers, Physics, Chemical Physics

Joseph Halim

Linköping University

Jimmy Thörnberg

Linköping University

Quanzheng Tao

Linköping University

Shixuan Li

Drexel University

Saad Intikhab

Drexel University

Joshua Snyder

Drexel University

Michel W. Barsoum

Drexel University

Melike Yildizhan

Linköping University

Justinas Palisaitis

Linköping University

L. Hultman

Linköping University

Per O.Å. Persson

Linköping University

Johanna Rosen

Linköping University

Advanced Materials

09359648 (ISSN) 15214095 (eISSN)

Vol. 30 21 1706409

Subject Categories

Inorganic Chemistry

Physical Chemistry

Other Chemistry Topics

DOI

10.1002/adma.201706409

More information

Latest update

6/11/2018