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Resolving the Different Silicon Clusters in Li12Si7 by 29Si and 6,7Li Solid-State NMR Spectroscopy


  • Financial support for this project was provided by the EU (through a ERC Advanced Fellowship for CPG), by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Freedom CAR and Vehicle Technologies of the U.S. DOE under Contract No. DE-AC03-76SF00098, through subcontract No. 6517749 with the Lawrence Berkeley National Laboratory. T.K. thanks the DAAD for a postdoctoral stipend. A.J.M. and C.J.P. were funded by the EPSRC. We wish to thank Prof. J.-M. Tarascon, Dr. R. Bhattacharyya, Dr. F. Pourpoint, and Dr. F. Blanc for helpful discussions.


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Structural signatures: The analysis of Si–Si and Si–Li connectivities by solid-state NMR spectroscopy allows the different types of silicon clusters to be discriminated in the model lithium silicide compound Li12Si7 (see picture, Si clusters red and blue, Li ions gray). The results provide new NMR spectroscopic strategies with which to differentiate and study the structures formed in silicon-based electrode materials.