CoFe2O4@rGO as a Separator Coating for Advanced Lithium–Sulfur Batteries

Lithium–sulfur (Li–S) batteries are hindered by the undesired shuttle effect and sluggish electrochemical conversion kinetics. Herein, a well‐designed CoFe2O4@reduced graphene oxide (CFO@rGO) composite is used to modify the separator to develop a multifunctional polysulfide barrier. Density function...

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Main Authors: Yan Li, Jiabing Liu, Xingbo Wang, Xiaomin Zhang, Ning Chen, Lanting Qian, Yongguang Zhang, Xin Wang, Zhongwei Chen
Format: Article
Language:English
Published: Wiley-VCH 2023-08-01
Series:Small Science
Subjects:
Online Access:https://doi.org/10.1002/smsc.202300045
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author Yan Li
Jiabing Liu
Xingbo Wang
Xiaomin Zhang
Ning Chen
Lanting Qian
Yongguang Zhang
Xin Wang
Zhongwei Chen
author_facet Yan Li
Jiabing Liu
Xingbo Wang
Xiaomin Zhang
Ning Chen
Lanting Qian
Yongguang Zhang
Xin Wang
Zhongwei Chen
author_sort Yan Li
collection DOAJ
description Lithium–sulfur (Li–S) batteries are hindered by the undesired shuttle effect and sluggish electrochemical conversion kinetics. Herein, a well‐designed CoFe2O4@reduced graphene oxide (CFO@rGO) composite is used to modify the separator to develop a multifunctional polysulfide barrier. Density functional theory (DFT) calculations confirm that highly electronegative oxygen ions in CFO tend to bond with transition metal (TM) ions at octahedral (Oh) sites, which induces the formation of FeS and CoS bonds between CFO and polysulfides. This indicates that CFO can effectively anchor polysulfides. Furthermore, the low Li2S decomposition energy barrier and Li+ diffusion energy barrier reveal that CFO can accelerate the redox reaction kinetics of sulfur species. Electronic structure calculations speculate that the low‐energy barrier can be attributed to the electron‐hopping phenomenon between TM ions of different valence states at Oh sites. Benefiting from these advantages, a CFO@rGO/PP separator demonstrates satisfactory cycling performance (0.087% capacity decay rate at 2C with 500 cycles) and superb rate performance (686 mAh g−1 at 5C). This work provides a valuable reference for future research on spinel‐type materials as electrocatalysts for Li–S batteries.
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spelling doaj.art-3b6f93dfe3c8472dbdcd9d154512bd8e2023-08-22T05:02:13ZengWiley-VCHSmall Science2688-40462023-08-0138n/an/a10.1002/smsc.202300045CoFe2O4@rGO as a Separator Coating for Advanced Lithium–Sulfur BatteriesYan Li0Jiabing Liu1Xingbo Wang2Xiaomin Zhang3Ning Chen4Lanting Qian5Yongguang Zhang6Xin Wang7Zhongwei Chen8South China Academy of Advanced Optoelectronics & International Academy of Optoelectronics at Zhaoqing South China Normal University Guangzhou 510006 ChinaState Key Laboratory of Reliability and Intelligence of Electrical Equipment School of Materials Science and Engineering Hebei University of Technology Tianjin 300130 ChinaSouth China Academy of Advanced Optoelectronics & International Academy of Optoelectronics at Zhaoqing South China Normal University Guangzhou 510006 ChinaSouth China Academy of Advanced Optoelectronics & International Academy of Optoelectronics at Zhaoqing South China Normal University Guangzhou 510006 ChinaCanadian Light Source Saskatoon S7N 2V3 CanadaDepartment of Chemical Engineering University of Waterloo 200 University Ave. W Waterloo Ontario N2L 3G1 CanadaSchool of Materials Science and Engineering State Key Laboratory of Reliability and Intelligence of Electrical Equipment Hebei University of Technology Tianjin 300130 ChinaSouth China Academy of Advanced Optoelectronics & International Academy of Optoelectronics at Zhaoqing South China Normal University Guangzhou 510006 ChinaDepartment of Chemical Engineering University of Waterloo 200 University Ave. W Waterloo Ontario N2L 3G1 CanadaLithium–sulfur (Li–S) batteries are hindered by the undesired shuttle effect and sluggish electrochemical conversion kinetics. Herein, a well‐designed CoFe2O4@reduced graphene oxide (CFO@rGO) composite is used to modify the separator to develop a multifunctional polysulfide barrier. Density functional theory (DFT) calculations confirm that highly electronegative oxygen ions in CFO tend to bond with transition metal (TM) ions at octahedral (Oh) sites, which induces the formation of FeS and CoS bonds between CFO and polysulfides. This indicates that CFO can effectively anchor polysulfides. Furthermore, the low Li2S decomposition energy barrier and Li+ diffusion energy barrier reveal that CFO can accelerate the redox reaction kinetics of sulfur species. Electronic structure calculations speculate that the low‐energy barrier can be attributed to the electron‐hopping phenomenon between TM ions of different valence states at Oh sites. Benefiting from these advantages, a CFO@rGO/PP separator demonstrates satisfactory cycling performance (0.087% capacity decay rate at 2C with 500 cycles) and superb rate performance (686 mAh g−1 at 5C). This work provides a valuable reference for future research on spinel‐type materials as electrocatalysts for Li–S batteries.https://doi.org/10.1002/smsc.202300045catalytic conversionCoFe2O4@rGOelectrochemical performancelithium–sulfur batteriesmodified separators
spellingShingle Yan Li
Jiabing Liu
Xingbo Wang
Xiaomin Zhang
Ning Chen
Lanting Qian
Yongguang Zhang
Xin Wang
Zhongwei Chen
CoFe2O4@rGO as a Separator Coating for Advanced Lithium–Sulfur Batteries
Small Science
catalytic conversion
CoFe2O4@rGO
electrochemical performance
lithium–sulfur batteries
modified separators
title CoFe2O4@rGO as a Separator Coating for Advanced Lithium–Sulfur Batteries
title_full CoFe2O4@rGO as a Separator Coating for Advanced Lithium–Sulfur Batteries
title_fullStr CoFe2O4@rGO as a Separator Coating for Advanced Lithium–Sulfur Batteries
title_full_unstemmed CoFe2O4@rGO as a Separator Coating for Advanced Lithium–Sulfur Batteries
title_short CoFe2O4@rGO as a Separator Coating for Advanced Lithium–Sulfur Batteries
title_sort cofe2o4 rgo as a separator coating for advanced lithium sulfur batteries
topic catalytic conversion
CoFe2O4@rGO
electrochemical performance
lithium–sulfur batteries
modified separators
url https://doi.org/10.1002/smsc.202300045
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