Journal article
Regulating the electronic structure of MoO2/Mo2C/C by heterostructure and oxygen vacancies for boosting lithium storage kinetics
The electronic structure regulation of electrode materials can improve the ion/electron kinetics, which is beneficial to the cyclic performance and rate capability for lithium ion batteries (LIBs). Herein, we propose a facile strategy to achieve a MoO2/Mo2C/C heterostructure with abundant oxygen vacancies.
Density functional theory calculations indicate that the heterostructure of MoO2/Mo2C/C can significantly promote the Li+/charge transfer and reduce the Li adsorption energy, and the abundant oxygen vacancies in MoO2/Mo2C/C can improve the intrinsic electronic conductivity and reduce the Li+ diffusion barrier.
Benefiting from the multiscale coordinated regulation, the obtained MoO2/Mo2C/C film exhibits outstanding high rate capability (454.7 mA h g−1 at 5 A g−1) and remarkable cyclic performance (retaining 569 mA h g−1 over 1000 cycles at 2 A g−1). The insightful findings in this study can shed light on the behavior of the electron/ion structure regulation by the heterostructure and oxygen vacancies, which can guide future studies on designing other electrode materials with high-performance lithium-ion storage.
Language: | English |
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Publisher: | The Royal Society of Chemistry |
Year: | 2022 |
Pages: | 12620-12629 |
ISSN: | 14779234 and 14779226 |
Types: | Journal article |
DOI: | 10.1039/d2dt01917e |
ORCIDs: | 0000-0001-5213-0972 , 0000-0002-5407-6524 , 0000-0002-9735-5865 , 0000-0003-3787-6949 and 0000-0001-7426-3450 |