Theoretical Calculation Guided Design of Single-Atom Catalysts toward Fast Kinetic and Long-Life Li-S Batteries
MetadataShow full item record
Funding and Sponsorship
This document is the Accepted Manuscript version of a Published Work that appeared in final form in Nano Letters, copyright © American Chemical Society, after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.nanolett.9b04719.
Lithium-sulfur (Li-S) batteries are promising next-generation energy storage technologies due to their high theoretical energy density, environmental friendliness, and low cost. However, low conductivity of sulfur species, dissolution of polysulfides, poor conversion from sulfur reduction, and lithium sulfide (Li2S) oxidation reactions during discharge-charge processes hinder their practical applications. Herein, under the guidance of density functional theory calculations, we have successfully synthesized large-scale single atom vanadium catalysts seeded on graphene to achieve high sulfur content (80 wt % sulfur), fast kinetic (a capacity of 645 mAh g-1 at 3 C rate), and long-life Li-S batteries. Both forward (sulfur reduction) and reverse reactions (Li2S oxidation) are significantly improved by the single atom catalysts. This finding is confirmed by experimental results and consistent with theoretical calculations. The ability of single metal atoms to effectively trap the dissolved lithium polysulfides (LiPSs) and catalytically convert the LiPSs/Li2S during cycling significantly improved sulfur utilization, rate capability, and cycling life. Our work demonstrates an efficient design pathway for single atom catalysts and provides solutions for the development of high energy/power density Li-S batteries.
Showing items related by title, author, creator and subject.
A low resistance and stable lithium-garnet electrolyte interface enabled by a multifunctional anode additive for solid-state lithium batteriesCao, Chencheng; Zhong, Yijun ; Chandula Wasalathilake, Kimal; Tadé, Moses O.; Xu, Xiaomin ; Rabiee, H.; Roknuzzaman, M.; Rahman, R.; Shao, Zongping (2022)Solid-state batteries (SSBs) have attracted considerable attention due to their high intrinsic stability and theoretical energy density. As the core part, garnet electrolyte has been extensively investigated due to its ...
Controlled One-pot Synthesis of Nickel Single Atoms Embedded in Carbon Nanotube and Graphene Supports with High LoadingZhao, Shiyong; Wang, T.; Zhou, G.; Zhang, L.; Lin, C.; Veder, Jean-Pierre ; Johannessen, B.; Saunders, M.; Yin, L.; Liu, C.; De Marco, Roland ; Yang, S.Z.; Zhang, Q.; Jiang, San Ping (2020)Single-atom catalysts (SACs) have attracted much attentions due to the advantages of high catalysis efficiency and selectivity. However, the controllable and efficient synthesis of SACs remains a significant challenge. ...
Iron Single Atoms on Graphene as Nonprecious Metal Catalysts for High-Temperature Polymer Electrolyte Membrane Fuel CellsCheng, Yi ; He, Shuai; Lu, S.; Veder, Jean-Pierre ; Johannessen, B.; Thomsen, L.; Saunders, M.; Becker, Thomas ; De Marco, Roland ; Li, Q.; Yang, S.Z.; Jiang, San Ping (2019)Iron single atom catalysts (Fe SACs) are the best-known nonprecious metal (NPM) catalysts for the oxygen reduction reaction (ORR) of polymer electrolyte membrane fuel cells (PEMFCs), but their practical application has ...