2026-04-28T22:12:04Zhttps://riubu.ubu.es/oai/request

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

Gutiérrez Vega, Alberto 271 500 0000-0003-2000-7413 Garroni, Sebastiano 227 500 0000-0001-7686-6589 Souentie, Stamatios 41cdb279-18b0-4684-abf4-9d55894ace17 500 Cuesta López, Santiago 133 500 0000-0002-7401-3889 Yakoumis, Iakovos 764daf1c-852c-4c9d-b0cb-767b90195cf9 500 Aparicio Martínez, Santiago 30 500 0000-0001-9996-2426 2020-11-04T12:55:55Z 2020-11-04T12:55:55Z 2019-04 1932-7447 http://hdl.handle.net/10259/5541 10.1021/acs.jpcc.9b00855 1932-7455 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 application/pdf eng American Chemical Society 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 Layers Solvation Ions Carbon nanotubes Cations Química física Chemistry, Physical and theoretical Insights into carbon nanotubes and fullerenes in molten alkali carbonates info:eu-repo/semantics/article info:eu-repo/semantics/submittedVersion info:eu-repo/semantics/openAccess The Journal of Physical Chemistry C 123 15 9909 9918 TEXT Gutierrez-jpcc_2019.pdf.txt Gutierrez-jpcc_2019.pdf.txt Extracted text text/plain 47607 https://riubu.ubu.es/bitstream/10259/5541/4/Gutierrez-jpcc_2019.pdf.txt 8385dd0d79d044f682ed6f082a006b33 MD5 4 THUMBNAIL Gutierrez-jpcc_2019.pdf.jpg Gutierrez-jpcc_2019.pdf.jpg IM Thumbnail image/jpeg 4310 https://riubu.ubu.es/bitstream/10259/5541/3/Gutierrez-jpcc_2019.pdf.jpg 9368ff32bcac17d5a4d4569c7749a845 MD5 3 LICENSE license.txt license.txt text/plain; charset=utf-8 998 https://riubu.ubu.es/bitstream/10259/5541/2/license.txt aa90105e1c90a1b4fe810649aa967b7d MD5 2 ORIGINAL Gutierrez-jpcc_2019.pdf Gutierrez-jpcc_2019.pdf application/pdf 1167425 https://riubu.ubu.es/bitstream/10259/5541/1/Gutierrez-jpcc_2019.pdf a2f0e0151642853eb43106a49ae9f0fb MD5 1 10259/5541 oai:riubu.ubu.es:10259/5541 2024-07-24 13:47:30.327 Repositorio Institucional de la Universidad de Burgos bubrep@ubu.es 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