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Issue 7, 2015
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Exploring the possibilities of two-dimensional transition metal carbides as anode materials for sodium batteries

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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

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Publication details

The article was received on 06 Nov 2014, accepted on 05 Jan 2015 and first published on 09 Jan 2015


Article type: Paper
DOI: 10.1039/C4CP05140H
Citation: Phys. Chem. Chem. Phys., 2015,17, 5000-5005
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    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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