Paul Kent Publications

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

ACS Nano 9 9427 (2015)

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 new choices of structures, chemistries and ultimately useful properties.

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