Nanoheterocrystal Catalysts Designed by Multiple Reactivity Descriptors for Accelerated Redox Kinetics in Li-S Batteries.
basic_science · Level V
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- Record sourced from PubMed, PMID 41774877.
- Also identified by DOI 10.1021/acsnano.5c21271.
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Abstract
Heterogeneous transition metal nanocrystals with charge redistribution interfaces serve as effective lithium polysulfide (LiPS) absorption and conversion catalysts in lithium-sulfur (Li-S) batteries. However, the rational design principle for the coupling relationship of nanoheterocrystals remains unclear. Here, we employ the binding energy, <i>d</i>-band center, and structural factors as multiple reactivity descriptors to manipulate the <i>d</i>-orbital of the nanoheterocrystal catalyst. Among these metal/NbC model catalysts, Co/NbC exhibits an elevated Nb <i>d</i>-band center and extra Co <i>d</i>-band catalytic center, thereby simultaneously delivering strong LiPS absorption, fast redox kinetics, and dense product deposition. Hence, Li-S batteries using the Co/NbC@NC catalyst demonstrate the rate performance and cycle stability with a low capacity decay rate of 0.059% per cycle over 500 cycles at 3C. High sulfur utilization is also evidenced by 554.2 mAh g<sup>-1</sup> at a low temperature of -30 °C and 4.75 mAh cm<sup>-2</sup> under a high mass loading of 6.5 mg cm<sup>-2</sup>. This work presents a rational design paradigm to stimulate the development of high-performance nanoheterocrystal catalysts.