Issue 7, 2015

Exploring the possibilities of two-dimensional transition metal carbides as anode materials for sodium batteries

Abstract

Recently a group of two-dimensional materials called MXenes have been discovered and they have demonstrated their potential in Li rechargeable batteries. Herein, the Na storage and ion migration properties of M2C-type MXenes (M = Ti, V, Cr, Mn, Fe, Co, Ni, Nb, Mo) were investigated using density functional theory (DFT) calculations, and were compared to the Li case. Based on the average voltage and migration barrier of surface ions, we suggest that M = Ti, V, Cr, Mn, and Mo are suitable for sodium ion battery (SIB) anodes. These screened M2C materials can provide a theoretical capacity of 190–288 mA h g−1 by accommodating two alkali ions per formula unit. They also exhibit an activation barrier of 0.1–0.2 eV for ionic motion, suggesting that the M2C materials are promising for high-power applications. The underlying aspects of the voltage differences between M2C materials are also discussed using electrostatic considerations.

Graphical abstract: Exploring the possibilities of two-dimensional transition metal carbides as anode materials for sodium batteries

Supplementary files

Article information

Article type
Paper
Submitted
06 Nov 2014
Accepted
05 Jan 2015
First published
09 Jan 2015

Phys. Chem. Chem. Phys., 2015,17, 5000-5005

Exploring the possibilities of two-dimensional transition metal carbides as anode materials for sodium batteries

E. Yang, H. Ji, J. Kim, H. Kim and Y. Jung, Phys. Chem. Chem. Phys., 2015, 17, 5000 DOI: 10.1039/C4CP05140H

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