While multiwall carbon nanotubes (MWCNTs) attract a lot of attention for their remarkable physical and mechanical properties, it is necessary to modify their surface chemistry and wettability with functionalization for successful application of these materials. Vertical and spaghetti MWCNTs were produced and functionalized with H₂ and SF₆ plasma treatments. Morphological and chemical characterizations were conducted. Molecular dynamics (MD) simulations demonstrated apparent unbundling of the functionalized vertical MWCNTs with the repulsive electrostatic forces between functional agents dominating the attractive van der Waals forces between the CNTs. MD simulations of hydrogenated spaghetti showed an increase in the structural order. Raman scattering provided evidence of the role played by the functional groups in increasing the graphitic character of MWCNTs. Contact angle measurements revealed the wettability tuning of the hydrogenated MWCNTs with a pronounced correlation with surface order. Hydrophobic-hydrophilic transitions of fluorinated MWCNTs with fluorination time also revealed the exchange of nonpolar and polar bonds on the side walls of the MWCNTs. Electrical conductivity measurements reflected the potential of functionalized MWCNT surfaces in holding back the salt, allowing fast transport of water, cancelling the conventional trade-off between selectivity and permeability, and presenting these materials as candidates for new generation of nanomaterials in water desalination.

尽管多壁碳纳米管（MWCNT）因其卓越的物理和机械性能吸引了许多关注，但为成功应用这些材料，有必要通过功能化来修饰其表面化学性质和润湿性。制作了垂直和意大利面条的MWCNT，并使用H ₂和SF _6对其进行了功能化等离子处理。进行了形态和化学表征。分子动力学（MD）模拟表明功能化的垂直MWCNT明显解开，功能剂之间的排斥静电力主导着CNT之间的吸引力范德华力。氢化意大利面条的MD模拟显示出结构顺序的增加。拉曼散射提供了功能基团在增加MWCNT的石墨特性中所起作用的证据。接触角测量显示氢化的MWCNTs的润湿性调节与表面有明显的相关性。氟化的MWCNTs随疏水时间的疏水-亲水转变也揭示了MWCNTs侧壁上非极性和极性键的交换。