Re-examining the Chevrel phase Mo6S8 cathode for Mg intercalation from an electronic structure perspective.

نویسندگان

  • Florian Thöle
  • Liwen F Wan
  • David Prendergast
چکیده

We re-examine the electronic response of the Chevrel phase Mo6S8 upon Mg intercalation. The ground state Mo6S8 is metallic and exhibits strongly localized electronic screening of Mg(2+) ions. This localized screening cloud effectively shields the 2+ charge carried by Mg ions on the length scale of one unit cell and facilitates Mg ion diffusion.

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عنوان ژورنال:
  • Physical chemistry chemical physics : PCCP

دوره 17 35  شماره 

صفحات  -

تاریخ انتشار 2015