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...
| Publicado en: | Journal of the American Chemical Society Vol. 134; no. 40; pp. 16909 - 16917 |
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| Autores principales: | , , |
| Formato: | Artículo |
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American Chemical Society
10/10/2012
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| Acceso en línea: | Ver este registro en EBSCOhost |