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- W2769702216 abstract "MXene has attracted significant attention as a promising electrode material for energy storage applications. In this study, the energy storage properties of Nbn+1Cn (n = 1 or 2), as a member of the MXene family, are investigated by using the first-principle density-functional theory. Bare Nb2C and Nb3C2 systems show an extremely high theoretical capacitance of Li atoms. It is determined that the surface termination has a considerable impact on the energy storage properties. The F- or O-terminated surfaces promote a charge transfer between the adatom and the surface. However, these terminations obviously reduce the electronic conductivity and the rate performance in the charge/discharge process. Moreover, the F- and OH-functional groups on the Nbn+1Cn surfaces can be removed through metal atom absorption. Our findings can be useful in designing MXene-based electrode materials for energy storage applications." @default.
- W2769702216 created "2017-12-04" @default.
- W2769702216 creator A5012635235 @default.
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- W2769702216 date "2018-02-01" @default.
- W2769702216 modified "2023-10-17" @default.
- W2769702216 title "First-principle study of the Nb+1C T2 systems as electrode materials for supercapacitors" @default.
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- W2769702216 doi "https://doi.org/10.1016/j.commatsci.2017.11.019" @default.
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