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  Lithium Insertion into Li2MoO4: Reversible Formation of (Li3Mo)O4 with a Disordered Rock-Salt Structure

Mikhailova, D., Voss, A., Oswald, S., Tsirlin, A. A., Schmidt, M., Senyshyn, A., et al. (2015). Lithium Insertion into Li2MoO4: Reversible Formation of (Li3Mo)O4 with a Disordered Rock-Salt Structure. Chemistry of Materials, 27(12), 4485-4492. doi:10.1021/acs.chemmater.5b01633.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0028-1219-3 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-1777-0
Genre: Journal Article

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 Creators:
Mikhailova, D.1, Author              
Voss, A.2, Author
Oswald, S.2, Author
Tsirlin, A. A.2, Author
Schmidt, M.3, Author              
Senyshyn, A.2, Author
Eckert, J.2, Author
Ehrenberg, H.2, Author
Affiliations:
1Daria Mikhailova, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863448              
2External Organizations, ou_persistent22              
3Marcus Schmidt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863415              

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 Abstract: During Li-insertion in some complex transition metal molybdates with a NASICON structure, which serve as cathodes in Li-ion rechargeable cells, a formation of a cubic rock-salt-type phase was often detected between 1 and 2 V vs Li+/Li. Detailed information about elemental composition and stability of this compound was missing, and suggestions were made toward a solid solution composed of lithium oxide and two-valence transition metal oxide MO with M a 3d element. In the present work, we showed that Li2MoO4 with a phenacite-type structure without any additional transition metal can reversibly accommodate Li-ions at room temperature with the formation of the NaCl-type compound. Reversible Li-incorporation into the Li2MoO4 structure is accompanied by a reduction of Mo ions and changes in their oxygen coordination. Li-ions are shifted from a tetrahedral to an octahedral site, resulting in the formation of a cubic (Li3Mo)O-4 framework with a random distribution of Li and Mo on one site. This mixed occupancy is remarkable because of significant charge and size differences between Li+ and Mo5+. The novel compound shows Li-deficiency at least up to x(Li) = 0.2, which can be deduced from charge flow in the galvanostatic cycling of the electrochemical cells with a (Li3Mo)O-4 cathode between 1.5 and 2.75 V vs Li+/Li. An increase in the cell potential above 3 V leads to the oxidation of (Li3Mo)O-4 back to Li2MoO4 with phenacite-type structure. The reaction of (Li3Mo)O-4 to Li2MoO4 also occurs upon a short exposure to air.

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Language(s): eng - English
 Dates: 2015-06-232015-06-23
 Publication Status: Published in print
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Title: Chemistry of Materials
  Other : Chem. Mater.
Source Genre: Journal
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Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 27 (12) Sequence Number: - Start / End Page: 4485 - 4492 Identifier: ISSN: 0897-4756
CoNE: https://pure.mpg.de/cone/journals/resource/954925561571