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• W2332212247 abstract "The real application of lithium-ion batteries in electric vehicles lacks the ideal anode materials. Herein, we report both experimental and theoretical study of MoSe2 nanocrystals as the anode materials. MoSe2 nanocrystals are successfully synthesized via a facile thermal-decomposition process. As the anode, the nanocrystalline MoSe2 yields the initial discharge and charge capacities of 782 and 600 mA h g–1 at the current of 0.1 C in a voltage of 0.1–3 V. First-principles simulation demonstrates that, during the initial discharge process, there is a Li atoms induced phase transition from 2H-MoSe2 to the O-MoSe2 phase at 0.9 V, and then Mo cluster occurs as more Li atoms intercalated into the MoSe2 lattice, which is associated with the formation of Mo and Li2Se. And the following charge/discharge processes are related to the conversion reaction between Mo and Li2Se. Meanwhile, the Li ion vacancy-hopping diffusion mechanism from octahedron to tetrahedron in MoSe2 lattice is proposed based on a quasi-2D ener..." @default.
• W2332212247 created "2016-06-24" @default.
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• W2332212247 date "2015-04-30" @default.
• W2332212247 modified "2023-10-11" @default.
• W2332212247 title "Phase Transition Mechanism and Electrochemical Properties of Nanocrystalline MoSe₂ as Anode Materials for the High Performance Lithium-Ion Battery" @default.
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• W2332212247 doi "https://doi.org/10.1021/acs.jpcc.5b00353" @default.
• W2332212247 hasPublicationYear "2015" @default.
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