Journal article
Ni activated Mo2C by regulating the interfacial electronic structure for highly efficient lithium-ion storage
Regulating the electronic structure plays a positive role in improving the ion/electron kinetics of electrode materials for lithium ion batteries (LIBs). Herein, an effective approach is demonstrated to achieve Ni/Mo2C hybrid nanoparticles embedded in porous nitrogen-doped carbon nanofibers (Ni/Mo2C/NC).
Density functional theory calculations indicate that Ni can activate the interface of Ni/Mo2C by regulating the electronic structure, and accordingly improve the electron/Li-ion diffusion kinetics. The charge at the interface transfers from Ni atoms to Mo atoms on the surface of Mo2C, illustrating the formation of an interfacial electric field in Ni/Mo2C.
The formed interfacial electric field in Ni/Mo2C can improve the intrinsic electronic conductivity, and reduce the Li adsorption energy and the Li+ diffusion barrier. Thus, the obtained Ni/Mo2C/NC shows an excellent high-rate capability of 344.1 mA h g−1 at 10 A g−1, and also displays a superior cyclic performance (remaining at 412.7 mA h g−1 after 1800 cycles at 2 A g−1).
This work demonstrates the important role of electronic structure regulation by assembling hybrid materials and provides new guidance for future work on designing novel electrode materials for LIBs.
Language: | English |
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Year: | 2022 |
Pages: | 14575-14584 |
ISSN: | 20403372 and 20403364 |
Types: | Journal article |
DOI: | 10.1039/d2nr03832c |
ORCIDs: | 0000-0001-5213-0972 , 0000-0002-5407-6524 , 0000-0002-9735-5865 , 0000-0003-3787-6949 and 0000-0001-7426-3450 |