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

Gu, Y.; Katsura, Y.; Yoshino, T.; Takagi, H.; Taniguchi, K.

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

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Takagi, H.
Department Quantum Materials (Hidenori Takagi), Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Gu, Y., Katsura, Y., Yoshino, T., Takagi, H., & Taniguchi, K. (2015). Rechargeable magnesium-ion battery based on a TiSe₂-cathode with d-p orbital hybridized electronic structure. Scientific Reports, 5: 12486.

Cite as: https://hdl.handle.net/21.11116/0000-000E-CA58-C

Abstract

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 Mg2+ and the host lattice. Here we demonstrate rechargeable performance of Mg-ion batteries at ambient temperature by selecting TiSe2 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 Mg2+ into TiSe2. The viewpoint from the electronic structure proposed in this study might pave a new way to design electrode materials for multivalent-ion batteries.