2026-06-28T01:33:55Zhttps://riubu.ubu.es/oai/request

oai:riubu.ubu.es:10259/55412024-07-24T11:47:30Zcom_10259_9476com_10259.4_106com_10259_2604col_10259_9477

00925njm 22002777a 4500 dc Gutiérrez Vega, Alberto author Garroni, Sebastiano author Souentie, Stamatios author Cuesta López, Santiago author Yakoumis, Iakovos author Aparicio Martínez, Santiago author 2019-04 The properties of single-walled carbon nanotubes and carbon fullerenes in molten alkali carbonates (MACs) were studied as a function of the considered nanomaterial and the ions into the molten salt using classical molecular dynamics simulations. The adsorption and confinement in carbon nanotubes is developed by efficient interaction of carbonate ions in the inner and outer walls of the nanotubes whereas alkali cations do not show a remarkable interaction with the nanomaterial. Analogous solvation mechanisms are inferred for carbon fullerenes with large disruption of the liquid structuring of MAC at high fullerene concentrations. The solvation ability of the studied lithium–sodium–potassium carbonate eutectic mixture for both types of nanomaterials is essential for considering this fluid in the development of composite materials for advanced technological applications. 1932-7447 http://hdl.handle.net/10259/5541 10.1021/acs.jpcc.9b00855 1932-7455 Layers Solvation Ions Carbon nanotubes Cations Insights into carbon nanotubes and fullerenes in molten alkali carbonates