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• W2502452545 endingPage "23922" @default.
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• W2502452545 abstract "Using a combination of adaptive genetic algorithm search, motif-network search scheme and first-principles calculations, we have systematically studied the low-energy crystal structures of Na2FeSiO4. We show that the low-energy crystal structures with different space group symmetries can be classified into several families based on the topologies of their Fe-Si networks. In addition to the diamond-like network which is shared by most of the low-energy structures, another three robust Fe-Si networks are also found to be stable during the charge/discharge process. The electrochemical properties of representative structures from these four different Fe-Si networks in Na2FeSiO4 and Li2FeSiO4 are investigated and found to be strongly correlated with the Fe-Si network topologies. Our studies provide a new route to characterize the crystal structures of Na2FeSiO4 and Li2FeSiO4 and offer useful guidance for the design of promising cathodes for Na/Li ion batteries." @default.
• W2502452545 created "2016-08-23" @default.
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• W2502452545 date "2016-01-01" @default.
• W2502452545 modified "2023-10-14" @default.
• W2502452545 title "Fe–Si networks in Na₂FeSiO₄ cathode materials" @default.
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• W2502452545 doi "https://doi.org/10.1039/c6cp05135a" @default.
• W2502452545 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/27523264" @default.
• W2502452545 hasPublicationYear "2016" @default.
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