Cargando…
Properties of S-Functionalized Nitrogen-Based MXene (Ti(2)NS(2)) as a Hosting Material for Lithium-Sulfur Batteries
Lithium-sulfur (Li-S) batteries have received extensive attention due to their high theoretical specific capacity and theoretical energy density. However, their commercialization is hindered by the shuttle effect caused by the dissolution of lithium polysulfide. To solve this problem, a method is pr...
Autores principales: | , , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8537390/ https://www.ncbi.nlm.nih.gov/pubmed/34684918 http://dx.doi.org/10.3390/nano11102478 |
_version_ | 1784588239373336576 |
---|---|
author | Yao, Chenghao Li, Wei Duan, Kang Zhu, Chen Li, Jinze Ren, Qingyin Bai, Gang |
author_facet | Yao, Chenghao Li, Wei Duan, Kang Zhu, Chen Li, Jinze Ren, Qingyin Bai, Gang |
author_sort | Yao, Chenghao |
collection | PubMed |
description | Lithium-sulfur (Li-S) batteries have received extensive attention due to their high theoretical specific capacity and theoretical energy density. However, their commercialization is hindered by the shuttle effect caused by the dissolution of lithium polysulfide. To solve this problem, a method is proposed to improve the performance of Li-S batteries using Ti(2)N(Ti(2)NS(2)) with S-functional groups as the sulfur cathode host material. The calculation results show that due to the mutual attraction between Li and S atoms, Ti(2)NS(2) has the moderate adsorption energies for Li(2)S(x) species, which is more advantageous than Ti(2)NO(2) and can effectively inhibit the shuttle effect. Therefore, Ti(2)NS(2) is a potential cathode host material, which is helpful to improve the performance of Li-S batteries. This work provides a reference for the design of high-performance sulfur cathode materials. |
format | Online Article Text |
id | pubmed-8537390 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-85373902021-10-24 Properties of S-Functionalized Nitrogen-Based MXene (Ti(2)NS(2)) as a Hosting Material for Lithium-Sulfur Batteries Yao, Chenghao Li, Wei Duan, Kang Zhu, Chen Li, Jinze Ren, Qingyin Bai, Gang Nanomaterials (Basel) Article Lithium-sulfur (Li-S) batteries have received extensive attention due to their high theoretical specific capacity and theoretical energy density. However, their commercialization is hindered by the shuttle effect caused by the dissolution of lithium polysulfide. To solve this problem, a method is proposed to improve the performance of Li-S batteries using Ti(2)N(Ti(2)NS(2)) with S-functional groups as the sulfur cathode host material. The calculation results show that due to the mutual attraction between Li and S atoms, Ti(2)NS(2) has the moderate adsorption energies for Li(2)S(x) species, which is more advantageous than Ti(2)NO(2) and can effectively inhibit the shuttle effect. Therefore, Ti(2)NS(2) is a potential cathode host material, which is helpful to improve the performance of Li-S batteries. This work provides a reference for the design of high-performance sulfur cathode materials. MDPI 2021-09-23 /pmc/articles/PMC8537390/ /pubmed/34684918 http://dx.doi.org/10.3390/nano11102478 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Yao, Chenghao Li, Wei Duan, Kang Zhu, Chen Li, Jinze Ren, Qingyin Bai, Gang Properties of S-Functionalized Nitrogen-Based MXene (Ti(2)NS(2)) as a Hosting Material for Lithium-Sulfur Batteries |
title | Properties of S-Functionalized Nitrogen-Based MXene (Ti(2)NS(2)) as a Hosting Material for Lithium-Sulfur Batteries |
title_full | Properties of S-Functionalized Nitrogen-Based MXene (Ti(2)NS(2)) as a Hosting Material for Lithium-Sulfur Batteries |
title_fullStr | Properties of S-Functionalized Nitrogen-Based MXene (Ti(2)NS(2)) as a Hosting Material for Lithium-Sulfur Batteries |
title_full_unstemmed | Properties of S-Functionalized Nitrogen-Based MXene (Ti(2)NS(2)) as a Hosting Material for Lithium-Sulfur Batteries |
title_short | Properties of S-Functionalized Nitrogen-Based MXene (Ti(2)NS(2)) as a Hosting Material for Lithium-Sulfur Batteries |
title_sort | properties of s-functionalized nitrogen-based mxene (ti(2)ns(2)) as a hosting material for lithium-sulfur batteries |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8537390/ https://www.ncbi.nlm.nih.gov/pubmed/34684918 http://dx.doi.org/10.3390/nano11102478 |
work_keys_str_mv | AT yaochenghao propertiesofsfunctionalizednitrogenbasedmxeneti2ns2asahostingmaterialforlithiumsulfurbatteries AT liwei propertiesofsfunctionalizednitrogenbasedmxeneti2ns2asahostingmaterialforlithiumsulfurbatteries AT duankang propertiesofsfunctionalizednitrogenbasedmxeneti2ns2asahostingmaterialforlithiumsulfurbatteries AT zhuchen propertiesofsfunctionalizednitrogenbasedmxeneti2ns2asahostingmaterialforlithiumsulfurbatteries AT lijinze propertiesofsfunctionalizednitrogenbasedmxeneti2ns2asahostingmaterialforlithiumsulfurbatteries AT renqingyin propertiesofsfunctionalizednitrogenbasedmxeneti2ns2asahostingmaterialforlithiumsulfurbatteries AT baigang propertiesofsfunctionalizednitrogenbasedmxeneti2ns2asahostingmaterialforlithiumsulfurbatteries |