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

被引：1593

作者：

Anasori, Babak ^{[1
,2
]}

Xie, Yu ^{[3
]}

Beidaghi, Majid ^{[1
,2
]}

Lu, Jun ^{[4
]}

Hosler, Brian C. ^{[1
]}

Hultman, Lars ^{[4
]}

Kent, Paul R. C. ^{[3
,5
]}

Gogotsi, Yury ^{[1
,2
]}

Barsoum, Michel W. ^{[1
]}

机构：

[1] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA

[2] Drexel Univ, AJ Drexel Nanomat Inst, Philadelphia, PA 19104 USA

[3] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA

[4] Linkoping Univ, Thin Film Phys Div, Dept Phys Chem & Biol IFM, SE-58183 Linkoping, Sweden

[5] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA

来源：

ACS NANO | 2015年 / 9卷 / 10期

基金：

瑞典研究理事会;

关键词：

MXene; 2D materials; DFT calculations; electrochemical properties; ELECTRONIC-PROPERTIES; CAPACITY; LI; NANOSHEETS; STABILITY; TI3C2; INTERCALATION; PERFORMANCE; SURFACE; ANODES;

D O I：

10.1021/acsnano.5b03591

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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'M-2 '' C-2 and M'M-2 '' C-2(3), 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.

引用

页码：9507 / 9516

页数：10

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