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• W2989945930 startingPage "016802" @default.
• W2989945930 abstract "Ti 3 C 2 T x nanosheet, the first synthesized MXene with high capacity performance and charge/discharge rate, has attracted increasingly attention in renewable energy storage applications. By performing systematic density functional theory calculations, the theoretical capacity of the intrinsic structure of single- and multi-layered Ti 3 C 2 T 2 ( T = F or O) corresponding to M ( M = Li and Na) atoms are investigated. Theoretical volumetric capacity and gravimetric capacity are obtained, which are related to the stacking degree. The optimal ratios of capacity to structure are determined under different stacking degrees for understanding the influence of surface functional groups on energy storage performance. Its performance can be tuned by performing surface modification and increasing the interlayer distance. In addition, the reason for theoretical capacity differences of M atoms is analyzed, which is attributed to difference in interaction between the M -ions and substrate and the difference in electrostatic exclusion between adsorbed M -ions. These results provide an insight into the understanding of the method of efficiently increasing the energy storage performance, which will be useful for designing and using high performance electrode materials." @default.
• W2989945930 created "2019-12-05" @default.
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• W2989945930 date "2020-01-01" @default.
• W2989945930 modified "2023-09-29" @default.
• W2989945930 title "First-principles study of high performance lithium/sodium storage of Ti₃C₂T₂ nanosheets as electrode materials*" @default.
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• W2989945930 doi "https://doi.org/10.1088/1674-1056/ab592e" @default.
• W2989945930 hasPublicationYear "2020" @default.
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