Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes)
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Open Access
- 13 August 2015
- journal article
- research article
- Published by American Chemical Society (ACS) in ACS Nano
- Vol. 9 (10), 9507-9516
- https://doi.org/10.1021/acsnano.5b03591
Abstract
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.Keywords
Funding Information
- Vetenskapsrådet
- Basic Energy Sciences
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