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Trapping polysulfide on two-dimensional molybdenum disulfide for Li–S batteries through phase selection with optimized binding
Introducing anchoring materials into cathodes for Li–S batteries has been demonstrated as an effective way to overcome the shuttle effect and enhance the cycling stability. In this work, the anchoring effects of 2H-MoS(2) and 1T'-MoS(2) monolayers for Li–S batteries were investigated by using d...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Beilstein-Institut
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6444386/ https://www.ncbi.nlm.nih.gov/pubmed/30993058 http://dx.doi.org/10.3762/bjnano.10.77 |
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author | Dong, Sha Sun, Xiaoli Wang, Zhiguo |
author_facet | Dong, Sha Sun, Xiaoli Wang, Zhiguo |
author_sort | Dong, Sha |
collection | PubMed |
description | Introducing anchoring materials into cathodes for Li–S batteries has been demonstrated as an effective way to overcome the shuttle effect and enhance the cycling stability. In this work, the anchoring effects of 2H-MoS(2) and 1T'-MoS(2) monolayers for Li–S batteries were investigated by using density functional theory calculations. It was found that the binding energies of Li(2)S(x) absorbed on 1T'-MoS(2) monolayer are in the range of 0.31–2.94 eV, which is much higher than on the 2H-phase. The 1T'-MoS(2) monolayer shows stronger trapping ability for Li(2)S(x) than the 2H-MoS(2) monolayer. The 1T'-MoS(2) monolayer can be used as effective anchoring material in cathodes for Li–S batteries. |
format | Online Article Text |
id | pubmed-6444386 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | Beilstein-Institut |
record_format | MEDLINE/PubMed |
spelling | pubmed-64443862019-04-16 Trapping polysulfide on two-dimensional molybdenum disulfide for Li–S batteries through phase selection with optimized binding Dong, Sha Sun, Xiaoli Wang, Zhiguo Beilstein J Nanotechnol Full Research Paper Introducing anchoring materials into cathodes for Li–S batteries has been demonstrated as an effective way to overcome the shuttle effect and enhance the cycling stability. In this work, the anchoring effects of 2H-MoS(2) and 1T'-MoS(2) monolayers for Li–S batteries were investigated by using density functional theory calculations. It was found that the binding energies of Li(2)S(x) absorbed on 1T'-MoS(2) monolayer are in the range of 0.31–2.94 eV, which is much higher than on the 2H-phase. The 1T'-MoS(2) monolayer shows stronger trapping ability for Li(2)S(x) than the 2H-MoS(2) monolayer. The 1T'-MoS(2) monolayer can be used as effective anchoring material in cathodes for Li–S batteries. Beilstein-Institut 2019-03-26 /pmc/articles/PMC6444386/ /pubmed/30993058 http://dx.doi.org/10.3762/bjnano.10.77 Text en Copyright © 2019, Dong et al. https://creativecommons.org/licenses/by/4.0https://www.beilstein-journals.org/bjnano/termsThis is an Open Access article under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0). Please note that the reuse, redistribution and reproduction in particular requires that the authors and source are credited. The license is subject to the Beilstein Journal of Nanotechnology terms and conditions: (https://www.beilstein-journals.org/bjnano/terms) |
spellingShingle | Full Research Paper Dong, Sha Sun, Xiaoli Wang, Zhiguo Trapping polysulfide on two-dimensional molybdenum disulfide for Li–S batteries through phase selection with optimized binding |
title | Trapping polysulfide on two-dimensional molybdenum disulfide for Li–S batteries through phase selection with optimized binding |
title_full | Trapping polysulfide on two-dimensional molybdenum disulfide for Li–S batteries through phase selection with optimized binding |
title_fullStr | Trapping polysulfide on two-dimensional molybdenum disulfide for Li–S batteries through phase selection with optimized binding |
title_full_unstemmed | Trapping polysulfide on two-dimensional molybdenum disulfide for Li–S batteries through phase selection with optimized binding |
title_short | Trapping polysulfide on two-dimensional molybdenum disulfide for Li–S batteries through phase selection with optimized binding |
title_sort | trapping polysulfide on two-dimensional molybdenum disulfide for li–s batteries through phase selection with optimized binding |
topic | Full Research Paper |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6444386/ https://www.ncbi.nlm.nih.gov/pubmed/30993058 http://dx.doi.org/10.3762/bjnano.10.77 |
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