Resultado final
Understanding of mass and charge transport mechanisms inside the MOF
Progress Report I.Report on the projects progress
IL-MOF structureUnderstanding of fluid structure and interaction of IL with MOF internal surface and the effect of confinement on ionic mobility
Biomimetic transportUnderstanding dielectric properties and permeability of membranes and role of water later
DSSC structureUnderstanding of the structure of the oxidedyeionic liquids interface and determination of electronic structure and electron injection rates
DSSC transportUnderstanding of charge transport mechanisms in IL and oxide
Biomimetic selectivityUnderstanding ionic selectivity through membranes
Heat storage structureUnderstanding of structure and heat transport processes in the CNTwater and Titaniawater interface
Porous liquids thermodynamicsUnderstanding of the thermodynamics of porous liquids loaded with gas and not
Heat storage additivesUnderstanding role of base fluids and surfactants in CNT
Progress Report II.Report on the project's progress.
Mechanochemistry mechanismsUnderstanding reaction mechanisms in mechanochemical reactions
Engagement with general public, industry and government
Training techniquesTraining in computational methods and experiment awareness for all ESRs
Publicaciones
Autores:
Aaron Byrne, Niall J. English, Udo Schwingenschlögl, David F. Coker
Publicado en:
The Journal of Physical Chemistry C, Edición 120/1, 2016, Página(s) 21-30, ISSN 1932-7447
Editor:
American Chemical Society
DOI:
10.1021/acs.jpcc.5b08964
Autores:
Nicola Giri, Mario G. Del Pópolo, Gavin Melaugh, Rebecca L. Greenaway, Klaus Rätzke, Tönjes Koschine, Laure Pison, Margarida F. Costa Gomes, Andrew I. Cooper, Stuart L. James
Publicado en:
Nature, Edición 527/7577, 2015, Página(s) 216-220, ISSN 0028-0836
Editor:
Nature Publishing Group
DOI:
10.1038/nature16072
Autores:
Joaquín Klug, Carles Triguero, Mario G. Del Pópolo, Gareth A. Tribello
Publicado en:
The Journal of Physical Chemistry B, Edición 31/5/2018, 2018, ISSN 1520-6106
Editor:
American Chemical Society
DOI:
10.1021/acs.jpcb.8b03661
Autores:
Matías A. Via, Mario G. Del Pópolo, Natalia Wilke
Publicado en:
Langmuir, Edición 34/9, 2018, Página(s) 3102-3111, ISSN 0743-7463
Editor:
American Chemical Society
DOI:
10.1021/acs.langmuir.7b04038
Autores:
Matías A. Via, Joaquín Klug, Natalia Wilke, Luis S. Mayorga, M. G. Del Pópolo
Publicado en:
Physical Chemistry Chemical Physics, Edición 20/7, 2018, Página(s) 5180-5189, ISSN 1463-9076
Editor:
Royal Society of Chemistry
DOI:
10.1039/C7CP07243K
Autores:
Jesús M. López Martí, Niall J. English, Mario G. Del Pópolo
Publicado en:
Physical Chemistry Chemical Physics, Edición 20/28, 2018, Página(s) 19234-19239, ISSN 1463-9076
Editor:
Royal Society of Chemistry
DOI:
10.1039/C8CP00958A
Autores:
Yogeshwaran Krishnan, Aaron Byrne, Niall English
Publicado en:
Energies, Edición 11/10, 2018, Página(s) 2570, ISSN 1996-1073
Editor:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.3390/en11102570
Autores:
Aaron Byrne, Yogeshwaran Krishnan, Niall J. English
Publicado en:
The Journal of Physical Chemistry C, Edición 122/46, 2018, Página(s) 26464-26471, ISSN 1932-7447
Editor:
American Chemical Society
DOI:
10.1021/acs.jpcc.8b08248
Autores:
Michael Ferguson, Maria Silvina Moyano, Gareth Tribello, Deborah Crawford, Eduardo M. Bringa, Stuart James, Jorge Kohanoff, Mario G Del Popolo
Publicado en:
Chemical Science, Edición 10, 2019, Página(s) 2924-2929, ISSN 2041-6520
Editor:
Royal Society of Chemistry
DOI:
10.1039/c8sc04971h
Autores:
Aaron Byrne, Eduardo Bringa, Mario Del Pópolo, Jorge Kohanoff, Vanesa Galassi, Niall English
Publicado en:
International Journal of Molecular Sciences, Edición 20/5, 2019, Página(s) 1123, ISSN 1422-0067
Editor:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.3390/ijms20051123
Autores:
Jo?s Grossi, Jorge J. Kohanoff, Niall J. English, Eduardo M. Bringa, Mario G. Del P?polo
Publicado en:
The Journal of Physical Chemistry B, Edición June 21 2017, 2017, ISSN 1520-6106
Editor:
American Chemical Society
DOI:
10.1021/acs.jpcb.7b01034
Autores:
Vanesa V. Galassi, Mario G. Del Popolo, Thomas M. Fischer, Natalia Wilke
Publicado en:
The Journal of Physical Chemistry B, Edición 121/22, 2017, Página(s) 5621-5632, ISSN 1520-6106
Editor:
American Chemical Society
DOI:
10.1021/acs.jpcb.7b00949
Autores:
Joaqu?n Klug, Diego Masone, Mario G. Del P?polo
Publicado en:
RSC Adv., Edición 7/49, 2017, Página(s) 30862-30869, ISSN 2046-2069
Editor:
Royal Society of Chemistry
DOI:
10.1039/C7RA05359B
Autores:
Aaron Byrne, Niall J. English
Publicado en:
Computational Materials Science, Edición 141, 2018, Página(s) 193-206, ISSN 0927-0256
Editor:
Elsevier BV
DOI:
10.1016/j.commatsci.2017.08.047
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