Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Víctor Gómez-González"'
Autor:
José M. Otero-Mato, Hadrián Montes-Campos, Víctor Gómez-González, Martín Montoto, Oscar Cabeza, Svyatoslav Kondrat, Luis M. Varela
Publikováno v:
RUC. Repositorio da Universidade da Coruña
instname
Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
Journal of Molecular Liquids
instname
Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
Journal of Molecular Liquids
[Abstract] We study the microscopic structure and transport properties of ions in mixtures of 1-butyl-3-methylimidazolium and 1-butyl-3-ethylimidazolium iodide with ethanol using atomistic molecular dynamics simulations and conductivity measurements.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::65d9e81657f022b14b3efd9c2a8a48c2
https://hdl.handle.net/10347/29058
https://hdl.handle.net/10347/29058
Autor:
Pablo Vallet, Silvia Bouzón-Capelo, Trinidad Méndez-Morales, Víctor Gómez-González, Yago Arosa, Raúl de la Fuente, Elena López-Lago, Julio R. Rodríguez, Luis J. Gallego, Juan J. Parajó, Josefa Salgado, Mireille Turmine, Luisa Segade, Oscar Cabeza, Luis M. Varela
Publikováno v:
Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
instname
RUC. Repositorio da Universidade da Coruña
instname
RUC. Repositorio da Universidade da Coruña
[Abstract] We report a systematic study of the effect of salt concentration and its cation valence on several equilibrium and transport properties of mixtures of the model protic ionic liquid ethylammonium nitrate with monovalent (LiNO3), divalent (M
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5e50b2011a0f36bdf9708840655c216a
https://hdl.handle.net/10347/27599
https://hdl.handle.net/10347/27599
Autor:
Vladislav Ivaništšev, Luis M. Varela, Borja Docampo-Álvarez, Luis J. Gallego, Víctor Gómez-González, Oscar Cabeza
Publikováno v:
Electrochimica Acta. 305:223-231
Mixtures of alkylammonium-based protic ionic liquids and alkylmethylimidazolium-based aprotic ionic liquids near neutral and charged graphene interfaces were studied by means of molecular dynamics simulations. Effects previously observed for bulk mix
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0ece32d768dcd26aae0da18d4c4ed4e5
https://doi.org/10.1016/j.electacta.2019.03.010
https://doi.org/10.1016/j.electacta.2019.03.010
Autor:
Amador García-Fuente, J. Manuel Otero-Mato, Xabier García-Andrade, Luis M. Varela, Oscar Cabeza, Andrés Vega, Hadrián Montes-Campos, Luis J. Gallego, Jesús Carrete, Víctor Gómez-González
Publikováno v:
UVaDOC. Repositorio Documental de la Universidad de Valladolid
Consejo Superior de Investigaciones Científicas (CSIC)
Digital.CSIC. Repositorio Institucional del CSIC
instname
Consejo Superior de Investigaciones Científicas (CSIC)
Digital.CSIC. Repositorio Institucional del CSIC
instname
Producción Científica
In this work we perform molecular dynamics simulations of mixtures of a prototypical protic ionic liquid, 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF4]), with lithium tetrafluoroborate (LiBF4), confined betwe
In this work we perform molecular dynamics simulations of mixtures of a prototypical protic ionic liquid, 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF4]), with lithium tetrafluoroborate (LiBF4), confined betwe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d5bdeed71410de3142548df0c777bb3
http://hdl.handle.net/10261/219216
http://hdl.handle.net/10261/219216
Autor:
Amador García-Fuente, Luis J. Gallego, Luis M. Varela, Víctor Gómez-González, Oscar Cabeza, Andrés Vega, Jesús Carrete
Publikováno v:
The Journal of Physical Chemistry C. 122:15070-15077
We use density functional theory to analyze the charge transfer between lithium or magnesium cations and a graphene wall beyond the predictions of classical Marcus theory. To that end, metal atoms are placed in three different kinds of environments:
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::060591ce8aee5c1893aabf1a5fe0b380
https://doi.org/10.1021/acs.jpcc.8b02795
https://doi.org/10.1021/acs.jpcc.8b02795
Autor:
Hadrián Montes-Campos, Luis M. Varela, Víctor Gómez-González, Luis J. Gallego, Oscar Cabeza, Juan C. Otero, Borja Docampo-Álvarez, Elena López Lago
Publikováno v:
Physical Chemistry Chemical Physics. 20:19071-19081
Despite the growing interest in the potential electrochemical applications of both aluminium and ionic liquids in batteries, the microstructure of mixtures of trivalent salts and these dense ionic environments is completely unknown. In this work, the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5f0757b3fc37cbdbfe213b2f4b730118
https://doi.org/10.1039/c8cp02933d
https://doi.org/10.1039/c8cp02933d
Autor:
Vladislav Ivaništšev, Luis M. Varela, Trinidad Méndez-Morales, Luis J. Gallego, Oscar Cabeza, Víctor Gómez-González, Borja Docampo-Álvarez, Maxim V. Fedorov
Publikováno v:
Physical Chemistry Chemical Physics. 19:846-853
A molecular dynamics study of mixtures of 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIm][BF4]) with magnesium tetrafluoroborate (Mg[BF4]2) confined between two parallel graphene walls is reported. The structure of the system is analyzed by mea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a08fec47c5910822aa5b309d0abc9b9e
https://doi.org/10.1039/c6cp07002g
https://doi.org/10.1039/c6cp07002g
Autor:
Oscar Cabeza, Víctor Gómez-González, Luis M. Varela, Luis J. Gallego, Borja Docampo-Álvarez, J. Manuel Otero-Mato
Publikováno v:
Physical chemistry chemical physics : PCCP. 20(18)
We perform molecular dynamics simulations of mixtures of a prototypical protic ionic liquid, ethylammonium nitrate, with lithium or magnesium nitrate (LiNO3/Mg(NO3)2) confined between two graphene walls. The structure of the system is analyzed by mea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd42aa7b9be11c10a019840308880051
https://pubmed.ncbi.nlm.nih.gov/29697731
https://pubmed.ncbi.nlm.nih.gov/29697731
Autor:
Luis J. Gallego, Trinidad Méndez-Morales, Borja Docampo-Álvarez, Víctor Gómez-González, Mireille Turmine, Oscar Cabeza, Julio R. Rodríguez, Luis M. Varela
Publikováno v:
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2018, 20 (15), pp.9938-9949. ⟨10.1039/C8CP00575C⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2018, 20 (15), pp.9938-9949. ⟨10.1039/C8CP00575C⟩
International audience; Mixtures of alkylammonium based protic ionic liquids and alkylmethylimidazolium based aprotic ionic liquids were studied by means of molecular dynamics simulations. Close to ideal mixing is observed in most studied magnitudes;
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9fdb2d27973e7f21464cbcf7f71c89a1
https://hal.sorbonne-universite.fr/hal-01784371
https://hal.sorbonne-universite.fr/hal-01784371
Autor:
Oscar Cabeza, Jesús Carrete, Luis M. Varela, Borja Docampo-Álvarez, Trinidad Méndez-Morales, Luis J. Gallego, Olga Russina, Víctor Gómez-González
Publikováno v:
Journal of Molecular Liquids. 210:178-188
Trying to contribute to an overall picture of solvation in ionic liquids, we report a review of the main recent results in the field of molecular dynamics simulations of structural and dynamic properties of mixtures of ionic liquids with molecular co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::47fd1356ef6d85792149dd918b839418
https://doi.org/10.1016/j.molliq.2015.06.036
https://doi.org/10.1016/j.molliq.2015.06.036