• 文献标题:   Adsorption Studies at the Graphene Oxide-Liquid Interface: A Molecular Dynamics Study
  • 文献类型:   Article, Early Access
  • 作  者:   DON VS, KIM L, DAVID R, NAUMAN JA, KUMAR R
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447 EI 1932-7455
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1021/acs.jpcc.2c07080 EA MAR 2023
  • 出版年:   2023

▎ 摘  要

The adsorption of organic aromatic molecules, namely aniline, onto graphene oxide is investigated using molecular simulations. The effect of the oxidation level of the graphene oxide sheet as well as the presence of two different halide salts, sodium chloride and sodium iodide, were examined. The aniline molecule in the more-reduced graphene oxide case, in the absence of added salt, showed a slightly greater af inity for the graphene oxide-water interface as compared to the oxidized form. The presence of the iodide ion increased the af inity of the aniline molecule in the reduced case but had the opposite effect for the more-oxidized form. The effect of oxidation and added salt on the interfacial water layer was also examined.