Double transition metal-containing M2TiAlC2 o-MAX phases as Li-ion batteries anodes: a theoretical screening

Here, thermodynamic stability and lithium storage properties of double transition metal M2TiAlC2 o-MAX phases (M = Cr, V, Mo, Nb, Ta, Hf, Zr, Sc, Y, La) are theoretically investigated by density functional theory (DFT) calculation. M2TiAlC2 with a larger M atomic radius shows larger interlayer space...

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Autores principales: Peng Xiao, Na Jin, Zifeng Lin
Formato: article
Lenguaje:EN
Publicado: Taylor & Francis Group 2021
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Acceso en línea:https://doaj.org/article/7856fbf02756497ba0be1e0065c9cfd3
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