Kaikai Qiu , Yujuan Zhang , Sifan Li , Jingyuan Jin , Yu Zhang , Weiqun Shi
{"title":"用于高性能硒和铯吸附的水稳定 S 功能化 Ti3C2 MXene","authors":"Kaikai Qiu , Yujuan Zhang , Sifan Li , Jingyuan Jin , Yu Zhang , Weiqun Shi","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":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":null,"pages":null},"PeriodicalIF":8.3000,"publicationDate":"2024-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Water-stable S-functionalized Ti3C2 MXene for high-performance Sr and Cs adsorption\",\"authors\":\"Kaikai Qiu , Yujuan Zhang , Sifan Li , Jingyuan Jin , Yu Zhang , Weiqun Shi\",\"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\":5,\"journal\":{\"name\":\"ACS Applied Materials & Interfaces\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":8.3000,\"publicationDate\":\"2024-09-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ACS Applied Materials & 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\":\"Q1\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Applied Materials & 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":"Q1","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Water-stable S-functionalized Ti3C2 MXene for high-performance Sr and Cs adsorption
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：
ACS Applied Materials & Interfaces is a leading interdisciplinary journal that brings together chemists, engineers, physicists, and biologists to explore the development and utilization of newly-discovered materials and interfacial processes for specific applications. Our journal has experienced remarkable growth since its establishment in 2009, both in terms of the number of articles published and the impact of the research showcased. We are proud to foster a truly global community, with the majority of published articles originating from outside the United States, reflecting the rapid growth of applied research worldwide.
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