Are MXenes Promising Anode Materials for Li Ion Batteries? Computational Studies on Electronic Properties and Li Storage Capability of TiC and TiCX (X = F, OH) Monolayer.

Density functional theory (DFT) computations were performed to investigate the electronic properties and Li storage capability of TiC, one representative MXene (M represents transition metals, and X is either C or/and N) material, and its fluorinated and hydroxylated derivatives. The TiC monolayer a...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 134; no. 40; pp. 16909 - 16917
Main Authors:	Qing Tang, Zhen Zhou, Panwen Shen
Format:	Article
Published:	American Chemical Society 10/10/2012
Subjects:	Performance of anodes Density functionals Surface chemistry Transition metals
Online Access:	View this record in EBSCOhost