{"title":"Water-stable S-functionalized Ti3C2 MXene for high-performance Sr and Cs adsorption","authors":"","doi":"10.1016/j.surfin.2024.105072","DOIUrl":null,"url":null,"abstract":"<div><p>In this study, S-functionalized Ti<sub>3</sub>C<sub>2</sub> MXene has been systematically investigated as a potential adsorbent for Sr and Cs ions using first-principles simulations. In sharp contrast to Ti<sub>3</sub>C<sub>2</sub>O<sub>2</sub> MXene, Ti<sub>3</sub>C<sub>2</sub>S<sub>2</sub> nanolayers remain stable in water at room temperature, which is attributed to the terminal S functional group isolating water molecules. Taking into account the factors such as exfoliation feasibility, adsorption strength, adsorption capacity and competitive ion interference, we have identified Ti<sub>3</sub>C<sub>2</sub>S<sub>2</sub> as a highly promising adsorbent for Sr and Cs ions. Specifically, in terms of adsorption capacity, the adsorption saturation of Ti<sub>3</sub>C<sub>2</sub>S<sub>2</sub> for Sr and Cs has been reached a coverage of 1 monolayer and 8/9 monolayer, respectively, surpassing all the commonly reported Ti<sub>3</sub>C<sub>2</sub>T<sub>2</sub> (<em>T</em> = <em>O</em>, F, and OH) MXenes.</p></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7000,"publicationDate":"2024-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Surfaces and Interfaces","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2468023024012288","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
In this study, S-functionalized Ti3C2 MXene has been systematically investigated as a potential adsorbent for Sr and Cs ions using first-principles simulations. In sharp contrast to Ti3C2O2 MXene, Ti3C2S2 nanolayers remain stable in water at room temperature, which is attributed to the terminal S functional group isolating water molecules. Taking into account the factors such as exfoliation feasibility, adsorption strength, adsorption capacity and competitive ion interference, we have identified Ti3C2S2 as a highly promising adsorbent for Sr and Cs ions. Specifically, in terms of adsorption capacity, the adsorption saturation of Ti3C2S2 for Sr and Cs has been reached a coverage of 1 monolayer and 8/9 monolayer, respectively, surpassing all the commonly reported Ti3C2T2 (T = O, F, and OH) MXenes.
期刊介绍：
The aim of the journal is to provide a respectful outlet for ''sound science'' papers in all research areas on surfaces and interfaces. We define sound science papers as papers that describe new and well-executed research, but that do not necessarily provide brand new insights or are merely a description of research results.
Surfaces and Interfaces publishes research papers in all fields of surface science which may not always find the right home on first submission to our Elsevier sister journals (Applied Surface, Surface and Coatings Technology, Thin Solid Films)
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