| アイテムタイプ |
学術雑誌論文 = Journal Article(1) |
| 公開日 |
2024-04-12 |
| 資源タイプ |
|
|
資源タイプ識別子 |
http://purl.org/coar/resource_type/c_6501 |
|
資源タイプ |
journal article |
| タイトル |
|
|
タイトル |
Enhancing Lithium-Sulfur Battery Performance by MXene, Graphene, and Ionic Liquids: A DFT Investigation |
|
言語 |
en |
| 言語 |
|
|
言語 |
eng |
| 著者 |
Cao, Jianghui
Xue, Sensen
Zhang, Jian
Ren, Xuefeng
Gao, Liguo
馬, 廷麗
Liu, Anmin
|
| 抄録 |
|
|
内容記述タイプ |
Abstract |
|
内容記述 |
The efficacy of lithium-sulfur (Li-S) batteries crucially hinges on the sulfur immobilization process, representing a pivotal avenue for bolstering their operational efficiency and durability. This dissertation primarily tackles the formidable challenge posed by the high solubility of polysulfides in electrolyte solutions. Quantum chemical computations were leveraged to scrutinize the interactions of MXene materials, graphene (Gr) oxide, and ionic liquids with polysulfides, yielding pivotal binding energy metrics. Comparative assessments were conducted with the objective of pinpointing MXene materials, with a specific focus on d-Ti3C2 materials, evincing augmented binding energies with polysulfides and ionic liquids demonstrating diminished binding energies. Moreover, a diverse array of Gr oxide materials was evaluated for their adsorption capabilities. Scrutiny of the computational outcomes unveiled an augmentation in the solubility of selectively screened d-Ti3C2 MXene and ionic liquids—vis à vis one or more of the five polysulfides. Therefore, the analysis encompasses an in-depth comparative assessment of the stability of polysulfide adsorption by d-Ti3C2 MXene materials, Gr oxide materials, and ionic liquids across diverse ranges. |
|
言語 |
en |
| 書誌情報 |
en : Molecules
巻 29,
号 1,
p. 2,
発行日 2023-12-19
|
| 出版社 |
|
|
出版者 |
MDPI |
| DOI |
|
|
関連タイプ |
isIdenticalTo |
|
|
識別子タイプ |
DOI |
|
|
関連識別子 |
https://doi.org/10.3390/molecules29010002 |
| ISSN |
|
|
収録物識別子タイプ |
EISSN |
|
収録物識別子 |
1420-3049 |
| 著作権関連情報 |
|
|
権利情報Resource |
https://creativecommons.org/licenses/by/4.0/ |
|
権利情報 |
Copyright (c) 2023 by the authors. 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. |
| キーワード |
|
|
主題Scheme |
Other |
|
主題 |
d-Ti3C2 MXene |
| キーワード |
|
|
主題Scheme |
Other |
|
主題 |
ionic liquids |
| キーワード |
|
|
主題Scheme |
Other |
|
主題 |
polysulfides dissolution |
| キーワード |
|
|
主題Scheme |
Other |
|
主題 |
graphene oxide |
| キーワード |
|
|
主題Scheme |
Other |
|
主題 |
density functional theory |
| 出版タイプ |
|
|
出版タイプ |
VoR |
|
出版タイプResource |
http://purl.org/coar/version/c_970fb48d4fbd8a85 |
| 査読の有無 |
|
|
値 |
yes |
| 研究者情報 |
|
|
URL |
https://hyokadb02.jimu.kyutech.ac.jp/html/100000666_ja.html |
| 論文ID（連携） |
|
|
値 |
10429574 |
| 連携ID |
|
|
値 |
12057 |
10429574.pdf (3.9 MB)
