Jump to main content
Jump to site search

Issue 1, 2016
Previous Article Next Article

TiC2: a new two-dimensional sheet beyond MXenes

Author affiliations

Abstract

MXenes are attracting attention due to their rich chemistry and intriguing properties. Here a new type of metal–carbon-based sheet composed of transition metal centers and C2 dimers rather than individual C atom is designed. Taking the Ti system as a test case, density functional theory calculations combined with a thermodynamic analysis uncover the thermal and dynamic stability of the sheet, as well as a metallic band structure, anisotropic Young's modulus and Poisson's ratio, a high heat capacity, and a large Debye stiffness. Moreover, the TiC2 sheet has an excellent Li storage capacity with a small migration barrier, a lower mass density compared with standard MXenes, and better chemical stability as compared to the MXene Ti2C sheet. When Ti is replaced with other transition metal centers, diverse new MC2 sheets containing C[double bond, length as m-dash]C dimers can be formed, the properties of which merit further investigation.

Graphical abstract: TiC2: a new two-dimensional sheet beyond MXenes

Back to tab navigation

Supplementary files

Article information


Submitted
04 Jul 2015
Accepted
14 Oct 2015
First published
15 Oct 2015

Nanoscale, 2016,8, 233-242
Article type
Paper
Author version available

TiC2: a new two-dimensional sheet beyond MXenes

T. Zhao, S. Zhang, Y. Guo and Q. Wang, Nanoscale, 2016, 8, 233
DOI: 10.1039/C5NR04472C

Social activity

Search articles by author

Spotlight

Advertisements