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Mo‐O‐C Between MoS(2) and Graphene Toward Accelerated Polysulfide Catalytic Conversion for Advanced Lithium‐Sulfur Batteries

MoS(2)/C composites constructed with van der Waals forces have been extensively applied in lithium–sulfur (Li–S) batteries. However, the catalytic conversion effect on polysulfides is limited because the weak electronic interactions between the composite interfaces cannot fundamentally improve the i...

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Autores principales: Zhang, Jiayu, Xu, Guobao, Zhang, Qi, Li, Xue, Yang, Yi, Yang, Liwen, Huang, Jianyu, Zhou, Guangmin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9353409/
https://www.ncbi.nlm.nih.gov/pubmed/35666043
http://dx.doi.org/10.1002/advs.202201579
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author Zhang, Jiayu
Xu, Guobao
Zhang, Qi
Li, Xue
Yang, Yi
Yang, Liwen
Huang, Jianyu
Zhou, Guangmin
author_facet Zhang, Jiayu
Xu, Guobao
Zhang, Qi
Li, Xue
Yang, Yi
Yang, Liwen
Huang, Jianyu
Zhou, Guangmin
author_sort Zhang, Jiayu
collection PubMed
description MoS(2)/C composites constructed with van der Waals forces have been extensively applied in lithium–sulfur (Li–S) batteries. However, the catalytic conversion effect on polysulfides is limited because the weak electronic interactions between the composite interfaces cannot fundamentally improve the intrinsic electronic conductivity of MoS(2). Herein, density functional theory calculations reveal that the MoS(2) and nitrogen‐doped carbon composite with an Mo–O–C bond can promote the catalytic conversion of polysulfides with a Gibbs free energy of only 0.19 eV and a low dissociation energy barrier of 0.48 eV, owing to the strong covalent coupling effect on the heterogeneous interface. Guided by theoretical calculations, a robust MoS(2) strongly coupled with a 3D carbon matrix composed of nitrogen‐doped reduced graphene oxide and carbonized melamine foam is designed and constructed as a multifunctional coating layer for lithium–sulfur batteries. As a result, excellent electrochemical performance is achieved for Li–S batteries, with a capacity of 615 mAh g(–1) at 5 C, an areal capacity of 6.11 mAh cm(–2), and a low self‐discharge of only 8.6% by resting for five days at 0.5 C. This study opens a new avenue for designing 2D material composites toward promoted catalytic conversion of polysulfides.
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spelling pubmed-93534092022-08-09 Mo‐O‐C Between MoS(2) and Graphene Toward Accelerated Polysulfide Catalytic Conversion for Advanced Lithium‐Sulfur Batteries Zhang, Jiayu Xu, Guobao Zhang, Qi Li, Xue Yang, Yi Yang, Liwen Huang, Jianyu Zhou, Guangmin Adv Sci (Weinh) Research Articles MoS(2)/C composites constructed with van der Waals forces have been extensively applied in lithium–sulfur (Li–S) batteries. However, the catalytic conversion effect on polysulfides is limited because the weak electronic interactions between the composite interfaces cannot fundamentally improve the intrinsic electronic conductivity of MoS(2). Herein, density functional theory calculations reveal that the MoS(2) and nitrogen‐doped carbon composite with an Mo–O–C bond can promote the catalytic conversion of polysulfides with a Gibbs free energy of only 0.19 eV and a low dissociation energy barrier of 0.48 eV, owing to the strong covalent coupling effect on the heterogeneous interface. Guided by theoretical calculations, a robust MoS(2) strongly coupled with a 3D carbon matrix composed of nitrogen‐doped reduced graphene oxide and carbonized melamine foam is designed and constructed as a multifunctional coating layer for lithium–sulfur batteries. As a result, excellent electrochemical performance is achieved for Li–S batteries, with a capacity of 615 mAh g(–1) at 5 C, an areal capacity of 6.11 mAh cm(–2), and a low self‐discharge of only 8.6% by resting for five days at 0.5 C. This study opens a new avenue for designing 2D material composites toward promoted catalytic conversion of polysulfides. John Wiley and Sons Inc. 2022-06-05 /pmc/articles/PMC9353409/ /pubmed/35666043 http://dx.doi.org/10.1002/advs.202201579 Text en © 2022 The Authors. Advanced Science published by Wiley‐VCH GmbH https://creativecommons.org/licenses/by/4.0/This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research Articles
Zhang, Jiayu
Xu, Guobao
Zhang, Qi
Li, Xue
Yang, Yi
Yang, Liwen
Huang, Jianyu
Zhou, Guangmin
Mo‐O‐C Between MoS(2) and Graphene Toward Accelerated Polysulfide Catalytic Conversion for Advanced Lithium‐Sulfur Batteries
title Mo‐O‐C Between MoS(2) and Graphene Toward Accelerated Polysulfide Catalytic Conversion for Advanced Lithium‐Sulfur Batteries
title_full Mo‐O‐C Between MoS(2) and Graphene Toward Accelerated Polysulfide Catalytic Conversion for Advanced Lithium‐Sulfur Batteries
title_fullStr Mo‐O‐C Between MoS(2) and Graphene Toward Accelerated Polysulfide Catalytic Conversion for Advanced Lithium‐Sulfur Batteries
title_full_unstemmed Mo‐O‐C Between MoS(2) and Graphene Toward Accelerated Polysulfide Catalytic Conversion for Advanced Lithium‐Sulfur Batteries
title_short Mo‐O‐C Between MoS(2) and Graphene Toward Accelerated Polysulfide Catalytic Conversion for Advanced Lithium‐Sulfur Batteries
title_sort mo‐o‐c between mos(2) and graphene toward accelerated polysulfide catalytic conversion for advanced lithium‐sulfur batteries
topic Research Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9353409/
https://www.ncbi.nlm.nih.gov/pubmed/35666043
http://dx.doi.org/10.1002/advs.202201579
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