2024-03-29T05:03:04Zhttps://riubu.ubu.es/oai/requestoai:riubu.ubu.es:10259/55412023-03-31T12:21:17Zcom_10259_4759com_10259_2604col_10259_4760
Insights into carbon nanotubes and fullerenes in molten alkali carbonates
Gutiérrez Vega, Alberto
Garroni, Sebastiano
Souentie, Stamatios
Cuesta López, Santiago
Yakoumis, Iakovos
Aparicio Martínez, Santiago
Layers
Solvation
Ions
Carbon nanotubes
Cations
Química física
Chemistry, Physical and theoretical
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.
European Union H2020- MSCA-RISE-2016-CO2MPRISE-734873
2020-11-04T12:55:55Z
2020-11-04T12:55:55Z
2019-04
info:eu-repo/semantics/article
info:eu-repo/semantics/submittedVersion
1932-7447
http://hdl.handle.net/10259/5541
10.1021/acs.jpcc.9b00855
1932-7455
eng
The Journal of Physical Chemistry C. 2020, V. 123, n. 15, p. 9909–9918
https://doi.org/10.1021/acs.jpcc.9b00855
info:eu-repo/grantAgreement/EC/H2020/MSCA-RISE-2016-CO2MPRISE-734873
info:eu-repo/semantics/openAccess
application/pdf
American Chemical Society