Journal
SMALL
Volume 18, Issue 6, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/smll.202105661
Keywords
electron transfer; halloysite; Li-S batteries; p-band center; polysulfides
Categories
Funding
- National Science Fund for Distinguished Young Scholars [51225403]
- National Natural Science Foundation of China [52042403]
- National Postdoctoral Program for Innovative Talents [BX2021276]
- China Postdoctoral Science Foundation [2020M682519]
- Strategic Priority Research Program of Central South University [ZLXD2017005]
- Fundamental Research Funds for the Central Universities, China University of Geosciences (Wuhan)
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By loading titanium dioxide nanoparticles onto the Si-O surface of halloysite, the oxygen p-band center is engineered, facilitating the desorption and conversion of polysulfides and improving the performance of lithium-sulfur batteries.
Polar oxides are widely used as the cathodes to impede the shuttle effect in lithium-sulfur batteries, but suffer from the sluggish desorption and conversion of polysulfides due to too strong affinity of polysulfides on oxygen sites. Herein, employing halloysite as a model, an approach to overcome these shortcomings is proposed via engineering oxygen p-band center by loading titanium dioxide nanoparticles onto Si-O surface of halloysite. Using density functional theory calculations, it is predicted that electron transfer from titanium dioxide nanoparticles to interfacial O sites results in downshift of p-band center of O sites that promote desorption of polysulfides and the cleavage of Li-S and S-S, accelerating the conversion kinetics of polysulfides. The designed composite cathode material delivers outstanding electrochemical performance in Li-S batteries, outperforming the recently reported similar cathodes. The concept could provide valuable insight into the design of other catalysts for Li-S batteries and beyond.
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