Water-stable S-functionalized Ti3C2 MXene for high-performance Sr and Cs adsorption

被引：2
作者：
Qiu, Kaikai [1 ]
Zhang, Yujuan [1 ]
Li, Sifan [1 ]
Jin, Jingyuan [1 ]
Zhang, Yu [1 ]
Shi, Weiqun [2 ,3 ]
机构：
[1] Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China
[2] Chinese Acad Sci, Inst High Energy Phys, Lab Nucl Energy Chem, Beijing 100049, Peoples R China
[3] Chinese Acad Sci, Inst High Energy Phys, Key Lab Biomed Effects Nanomat & Nanosafety, Beijing 100049, Peoples R China
来源：
SURFACES AND INTERFACES | 2024年 / 53卷
基金：
中国国家自然科学基金;
关键词：
MXene material; First-principles simulation; Adsorption; Radionuclide; RADIOACTIVE WASTE-WATER; MOLECULAR-DYNAMICS; ION BATTERIES; CESIUM; ENERGY; TRANSPORT; REMOVAL; PRECIPITATION; CAPACITY;
D O I：
10.1016/j.surfin.2024.105072
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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.
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页数：9
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共 47 条
  • [1] Advances in the Chemical Stabilization of MXenes
    Athavale, Swarnima
    Micci-Barreca, Stefano
    Arole, Kailash
    Kotasthane, Vrushali
    Blivin, Jackson
    Cao, Huaixuan
    Lutkenhaus, Jodie L.
    Radovic, Miladin
    Green, Micah J.
    [J]. LANGMUIR, 2023, 39 (03) : 918 - 928
  • [2] PROJECTOR AUGMENTED-WAVE METHOD
    BLOCHL, PE
    [J]. PHYSICAL REVIEW B, 1994, 50 (24): : 17953 - 17979
  • [3] Fukushima Daiichi-Derived Radionuclides in the Ocean: Transport, Fate, and Impacts
    Buesseler, Ken
    Dai, Minhan
    Aoyama, Michio
    Benitez-Nelson, Claudia
    Charmasson, Sabine
    Higley, Kathryn
    Maderich, Vladimir
    Masque, Pere
    Morris, Paul J.
    Oughton, Deborah
    Smith, John N.
    [J]. ANNUAL REVIEW OF MARINE SCIENCE, VOL 9, 2017, 9 : 173 - 203
  • [4] Recent progress and advances in the environmental applications of MXene related materials
    Chen, Junyu
    Huang, Qiang
    Huang, Hongye
    Mao, Liucheng
    Liu, Meiying
    Zhang, Xiaoyong
    Wei, Yen
    [J]. NANOSCALE, 2020, 12 (06) : 3574 - 3592
  • [5] Three-Dimensional Chiral Microporous Germanium Antimony Sulfide with Ion-Exchange Properties
    Feng, Mei-Ling
    Kong, De-Nian
    Xie, Zai-Lai
    Huang, Xiao-Ying
    [J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2008, 47 (45) : 8623 - 8626
  • [6] Grimme S., 2010, J. Chem. Phys., V132
  • [7] A fast and robust algorithm for Bader decomposition of charge density
    Henkelman, Graeme
    Arnaldsson, Andri
    Jonsson, Hannes
    [J]. COMPUTATIONAL MATERIALS SCIENCE, 2006, 36 (03) : 354 - 360
  • [8] MXene: An emerging two-dimensional layered material for removal of radioactive pollutants
    Hwang, Seung Kyu
    Kang, Sung-Min
    Rethinasabapathy, Muruganantham
    Roh, Changhyun
    Huh, Yun Suk
    [J]. CHEMICAL ENGINEERING JOURNAL, 2020, 397
  • [9] Inorganic ion exchangers for strontium removal from radioactive waste : a review
    Inan, Suleyman
    [J]. JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY, 2022, 331 (03) : 1137 - 1154
  • [10] New insights into MXene applications for sustainable environmental remediation
    Jatoi, Abdul Sattar
    Mubarak, Nabisab Mujawar
    Hashmi, Zubair
    Solangi, Nadeem Hussain
    Karri, Rama Rao
    Hua, Tan Yie
    Mazari, Shaukat Ali
    Koduru, Janardhan Reddy
    Alfantazi, Akram
    [J]. CHEMOSPHERE, 2023, 313
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