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Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes)
Book chapter   Open access

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
MXenes, pp 55-77
2023
url
https://figshare.com/articles/journal_contribution/Two_Dimensional_Ordered_Double_Transition_Metals_Carbides_MXenes_/2054973/1/files/3626337.pdfView
SubmittedCC BY-NC V4.0 Open

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 Mo2TiC2T x , Mo2Ti2C3T x , and Cr2TiC2T x (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 Mo2TiC2T x and Ti3C2T x . This work further expands the family of 2D materials, offering additional choices of structures, chemistries and ultimately useful properties.

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