RT info:eu-repo/semantics/article
T1 Insights into carbon nanotubes and fullerenes in molten alkali carbonates
A1 Gutiérrez Vega, Alberto
A1 Garroni, Sebastiano
A1 Souentie, Stamatios
A1 Cuesta López, Santiago
A1 Yakoumis, Iakovos
A1 Aparicio Martínez, Santiago
K1 Layers
K1 Solvation
K1 Ions
K1 Carbon nanotubes
K1 Cations
K1 Química física
K1 Chemistry, Physical and theoretical
AB 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.
PB American Chemical Society
SN 1932-7447
YR 2019
FD 2019-04
LK http://hdl.handle.net/10259/5541
UL http://hdl.handle.net/10259/5541
LA eng
NO European Union H2020- MSCA-RISE-2016-CO2MPRISE-734873
DS Repositorio Institucional de la Universidad de Burgos
RD 23-nov-2024