• 文献标题:   Which is better for Lindane pesticide adsorption, graphene or graphene oxide? An experimental and DFT study
  • 文献类型:   Article
  • 作  者:   MEHMETI V, HALILI J, BERISHA A
  • 作者关键词:   lindane, graphene, graphene oxide, dft, md, adsorption
  • 出版物名称:   JOURNAL OF MOLECULAR LIQUIDS
  • ISSN:   0167-7322 EI 1873-3166
  • 通讯作者地址:  
  • 被引频次:   10
  • DOI:   10.1016/j.molliq.2021.118345 EA DEC 2021
  • 出版年:   2022

▎ 摘  要

Graphene and graphene oxide are fascinating materials with a wide range of uses ranging from adsorp-tion to photovoltaics. Graphene oxide is synthesized in this work by reducing graphene oxide (with ascorbic acid) using a well-established Hummers process, which is summarized as controlled treatment of graphite flakes with potassium permanganate in concentrated sulphuric acid. FTIR and UV-VIS spec-troscopy are used to characterize the synthesized materials. The adsorption of Lindane in hexane is car-ried out using a solution with a concentration range of 25 to 500 ppb and a constant mass of 15 mg graphene or graphene oxide. The GC-ECD was used to determine the Lindane adsorbed concentration. These materials have remarkable absorptive characteristics. Up to 92.5 percent of Lindane is removed from hexane solution using graphene and up to 56.1 by graphene oxide. Theoretical calculations based on quantum and molecular mechanics were performed to better understand the interaction nature and energetics of Lindane with the two adsorbents. (c) 2021 Elsevier B.V. All rights reserved.