2021
A. Peer Reviewed Referred Journals
- I.
Skarmoutsos E. N. Koukaras, E. Klontzas “The Impact of
Ionic Liquid Loading in Three-Dimensional Carbon Nanotube Networks on the Separation
of CO2/CH4 Fluid Mixtures: Insights from Molecular
Simulations”, J. Phys. Chem. C 2021, 125, 13508-13522.
DOI: https://doi.org/10.1021/acs.jpcc.1c00346
2020
- I.
Skarmoutsos E. N. Koukaras, C. Galiotis, G. E. Froudakis, E. Klontzas, “Porous
carbon nanotube networks and pillared graphene materials exhibiting high SF6 adsorption uptake and separation selectivity of SF6/N2 fluid mixtures: A comparative molecular simulation study”, Micro. Meso. Mat. 2020, 307, 110464.
https://doi.org/10.1016/j.micromeso.2020.110464 - I.
Skarmoutsos E. N. Koukaras, G. E. Froudakis, G. Maurin, E. Klontzas, “Confinement
Effects on the Properties of Polar Hydrogen-Bonded Fluids: A Showcase on
Methanol Adsorbed in Three-Dimensional Pillared Graphene and Carbon Nanotube
Networks”, J.
Phys. Chem. C 2020, 124, 22959-22971.
https://doi.org/10.1021/acs.jpcc.0c06289 - I.
Tsamardinos, G. S. Fanourgakis, E. Greasidou, E. Klontzas, K. Gkagkas, G. E.
Froudakis, “An Automated Machine Learning architecture for the accelerated
prediction of Metal-Organic Frameworks performance in energy and environmental
applications”, Micro. Meso. Mat. 2020, 300, 110160.
https://doi.org/10.1016/j.micromeso.2020.110160
2019
- E.
Klontzas, E. Tylianakis, V. Varshney, A. K. Roy, G. E. Froudakis, “Organically
interconnected graphene flakes: A flexible 3-D material with tunable electronic
bandgap”, Sci. Rep. 2019, 9, 13676.
https://doi.org/10.1038/s41598-019-50037-y - G.
S. Fanourgakis, K. Gkagkas, E. Tylianakis, E. Klontzas, G. E. Froudakis, “A
Robust Machine Learning Algorithm for the Prediction of Methane Adsorption in
Nanoporous Materials”, J. Phys. Chem. A 2019, 123,
6080-6087.
https://doi.org/10.1021/acs.jpca.9b03290
B. Preprints
- L. Zarbo L, M. Oancea, E. Klontzas, E. Tylianakis,
I. G. Grosu, G. E. Froudakis, Electrically Enhanced Hydrogen Adsorption in
Metal-Organic Frameworks. ChemRxiv. Cambridge: Cambridge Open Engage; 2019; This
content is a preprint and has not been peer-reviewed.
https://doi.org/10.26434/chemrxiv.8209304.v1
C. Conference Proceedings
- E. Klontzas, G. E. Froudakis I. Skarmoutsos, K. Galiotis, E. N. Koukaras, “Structural, Electronic and Mechanical Properties of Molecularly Pillared, 3D Nanoporous Graphene Materials”, conference proceedings, 12th Panhellenic Scientific Conference of Chemical Engineering 2019.
- I. Skarmoutsos, E. Klontzas, E. N. Koukaras, G. Maurin, “Computational modelling of nanoporous materials for sustainable energy and environmental applications”, conference proceedings, 12th Panhellenic Scientific Conference of Chemical Engineering 2019.