The Volcano Relationship between d<sub><i>z</i><sup>2</sup></sub> Electronic States and Sulfur Redox Reaction Kinetics in Lithium-Sulfur Batteries.
basic_science · Level V
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- Record sourced from PubMed, PMID 40231740.
- Also identified by DOI 10.1021/acs.nanolett.5c00128.
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Abstract
The d orbital physics are closely related to the catalytic activity of transition-metal-based catalysts in Li-S batteries. However, challenges remain in understanding the optimal electronic configuration, causing a lack of guidance in the precise design of catalysts. Herein, by virtue of LaCoO<sub>3</sub>-based catalysts with different combinations of low-spin states and high-spin states of Co<sup>3+</sup>, a volcano relationship between d<sub><i>z</i><sup>2</sup></sub> filling number (from 0.95 to 1.29) and S/Li<sub>2</sub>S redox reaction kinetics is revealed. The best kinetics are provided at the d<sub><i>z</i><sup>2</sup></sub> filling number of 1.12. As a result, the assembled Li-S battery shows a low decay rate of 0.026% per cycle in a 1500-cycle test and a high energy density of 460.7 Wh kg<sup>-1</sup> in a practical pouch cell. This work reveals the critical influences of d<sub><i>z</i><sup>2</sup></sub> electronic states on catalyzing the S/Li<sub>2</sub>S redox reaction and provides insights into finely regulating the electronic structures of high-performance catalysts for practical Li-S batteries.