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Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes)
Journal article   Open access   Peer reviewed

Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes)

Babak Anasori, Yu Xie, Majid Beidaghi, Jun Lu, Brian C Hosler, Lars Hultman, Paul R C Kent, Yury Gogotsi and Michel W Barsoum
ACS nano, v 9(10), pp 9507-9516
27 Oct 2015
PMID: 26208121
url
https://doi.org/10.1021/acsnano.5b03591View
Published, Version of Record (VoR) Open

Abstract

DFT calculations 2D materials MXene electrochemical properties ESI Highly Cited Paper (Incites)
The higher the chemical diversity and structural complexity of two-dimensional (2D) materials, the higher the likelihood they possess unique and useful properties. Herein, density functional theory (DFT) is used to predict the existence of two new families of 2D ordered, carbides (MXenes), M'2M″C2 and M'2M″2C3, where M' and M″ are two different early transition metals. In these solids, M' layers sandwich M″ carbide layers. By synthesizing Mo2TiC2Tx, Mo2Ti2C3Tx, and Cr2TiC2Tx (where T is a surface termination), we validated the DFT predictions. Since the Mo and Cr atoms are on the outside, they control the 2D flakes' chemical and electrochemical properties. The latter was proven by showing quite different electrochemical behavior of Mo2TiC2Tx and Ti3C2Tx. This work further expands the family of 2D materials, offering additional choices of structures, chemistries, and ultimately useful properties.

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Highly Cited Paper 
Collaboration types
Domestic collaboration
International collaboration
Web of Science research areas
Chemistry, Multidisciplinary
Chemistry, Physical
Materials Science, Multidisciplinary
Nanoscience & Nanotechnology
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