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Rechargeable ion-batteries, in which ions such as Li +  carry charges between electrodes, have been contributing to the improvement of power-source performance in a wide variety of mobile electronic devices. Among them, Mg-ion batteries are recently attracting attention due to possible low cost and safety, which are realized by abundant natural resources and stability of Mg in the atmosphere. However, only a few materials have been known to work as rechargeable cathodes for Mg-ion batteries, owing to strong electrostatic interaction between Mg 2+  and the host lattice. Here we demonstrate rechargeable performance of Mg-ion batteries at ambient temperature by selecting TiSe 2  as a model cathode by focusing on electronic structure. Charge delocalization of electrons in a metal-ligand unit through  d - p  orbital hybridization is suggested as a possible key factor to realize reversible intercalation of Mg 2+  into TiSe 2 . The viewpoint from the electronic structure proposed in this study might pave a new way to design electrode materials for multivalent-ion batteries.

Rechargeable magnesium-ion battery based on a TiSe2-cathode with d-p orbital hybridized electronic structure