Publications

CF4 Capture and Separation of CF4−SF6 and CF4−N2 Fluid Mixtures Using Selected Carbon Nanoporous Materials and Metal Organic Frameworks: A Computational Study. ACS Omega 7, 6691−6699 (2022)

Publications Tuesday, 01 March 2022 00:00

Ioannis Skarmoutsos^a,b, Emmanuel N. Koukaras^b, and Emmanuel Klontzas^a

^a Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Vass. Constantinou 48, GR-116 35, Athens, Greece
^b Department of Chemistry, Laboratory of Quantum and Computational Chemistry, Aristotle University of Thessaloniki, 54124, Thessaloniki, Greece

Thermomechanical Response of Supported Hexagonal Boron Nitride Sheets of Various Thicknesses. ACS J. Phys. Chem. C 124, 22, 12134–12143 (2020)

Publications Tuesday, 01 December 2020 00:00

Lambros Seremetis, Emmanuel N. Koukaras, Sotiria Alexandri, Antonis Michail, George Kalosakas, John Parthenios, Costas Galiotis, Sotirios Tsirkas, Spyridon Grammatikopoulos, and Konstantinos Papagelis

Department of Physics, University of Patras, Patras 26504, Greece
Institute of Chemical Engineering Sciences, Foundation of Research and Technology-Hellas (FORTH/ICE-HT), Patras 26504, Greece
Laboratory of Quantum and Computational Chemistry, Department of Chemistry, Aristotle University of Thessaloniki, Thessaloniki GR-54124, Greece
Department of Materials Science, University of Patras, Patras 26504, Greece
Department of Chemical Engineering, University of Patras, Patras 26504, Greece
Department of Mechanical Engineering, School of Engineering, University of the Peloponnese, Patras 26334, Greece.

Synthesis and Photovoltaic Properties of New Conjugated D-A Polymers Based on the Same Fluoro-Benzothiadiazole Acceptor Unit and Different Donor Units. ChemistrySelect 5, 853–863 (2020)

Publications Tuesday, 01 December 2020 00:00

Mukhaned L Keshtov^a, Serge. A. Kuklin^a, Ionv. O. Konstantinov^a, Alexei R. Khokhlov^b, Zhiyuan Xie^c, Chuandong Dou^c, Emmanuel N. Koukaras^d, Rakesh Suthar^e, and Ganesh D. Sharma^e

^a Institute of Organoelement Compounds of the Russian Academy of Sciences, Vavilova St., 28, 119991 Moscow, Russian Federation
^b Department of Physics of Polymers and Crystals, Faculty of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory 1, 119991, Moscow, Russia
^c Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
^d Laboratory of Quantum and Computational Chemistry, Department of Chemistry, Aristotle University of Thessaloniki, GR-54124 Thessaloniki, Greece
^e Department of Physics, The LNM Institute for Information Technology, Jamdoli, Jaipur 302031, India

Tunable macroscale structural superlubricity in two-layer graphene via strain engineering. Nature Communications 11:1595 (2020)

Publications Sunday, 01 November 2020 00:00

Charalampos Androulidakis¹, Emmanuel N. Koukaras^1,2, George Paterakis^1,3, George Trakakis¹, Costas Galiotis^1,3

¹ Institute of Chemical Engineering Sciences, Foundation of Research and Technology-Hellas (FORTH/ICE-HT), Stadiou Street, Platani, Patras 26504, Greece.
² Laboratory of Quantum and Computational Chemistry, Department of Chemistry, Aristotle University of Thessaloniki, GR-54124 Thessaloniki, Greece.
³ Department of Chemical Engineering, University of Patras, Patras 26504, Greece.

Enhancement of photovoltaic efficiency through fine adjustment of indacene-based non-fullerene acceptor by minimal chlorination for polymer solar cells. Wiley Nano Select 1(3), 320-333 (2020)

Publications Tuesday, 10 November 2020 00:00

Mukhamed L. Keshtov¹, Sergei A. Kuklin¹, Chuandong Dou², Emmanuel N. Koukaras³, Rahul Singhal⁴, Prateek Malhotra⁵, Ganesh D. Sharma⁵

¹ Institute of Organoelement Compounds of the Russian Academy of Sciences, Moscow 119991, Russian Federation
² Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
³ Laboratory of Quantum and Computational Chemistry, Department of Chemistry, Aristotle University of Thessaloniki, Thessaloniki GR-54124, Greece
⁴ Department of Physics, Malviya National Institute of Technology, Jaipur, Rajasthan 302017, India
⁵ Department of Physics, The LNM Institute for Information Technology, Jaipur, Rajasthan 302017, India.

New Donor-Acceptor polymers with a wide absorption range for photovoltaic applications. Elsevier Solar Energy 205, 211–220 (2020)

Publications Friday, 20 November 2020 00:00

M.L. Keshtov^a, S.A. Kuklin^a, I.O. Konstantinov^a, I.E. Ostapov^a,b, Zh. Xie^c, Emmanuel N. Koukaras^d, Rakesh Suthar^e, Ganesh D. Sharma^e

^a Institute of Organoelement Compounds of the Russian Academy of Sciences, Vavilova St., 28, 119991 Moscow, Russia
^b Department of Physics of Polymers and Crystals, Faculty of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory 1, 119991 Moscow, Russia
^c Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
^d Laboratory of Quantum and Computational Chemistry, Department of Chemistry, Aristotle University of Thessaloniki, GR-54124 Thessaloniki, Greece
^e Department of Physics, The LNM Institute for Information Technology, Jamdoli, Jaipur 302017, India.

Hierarchy of nanoscale graphene wrinkles on compliant substrate: Theory and experiment. Extreme Mechanics Letters 40, 100948 (2020)

Publications Tuesday, 01 September 2020 00:00

Charalampos Androulidakis^a, Emmanuel N. Koukaras^a,b, Krishna Sampathkumar^c,d, Jaroslava Rahova^c,e, Costas Galiotis^a,f, Otakar Frank^c

^a Institute of Chemical Engineering Sciences, Foundation of Research and Technology-Hellas (FORTH/ICE-HT), Stadiou Street, Platani, Patras, 26504, Greece
^b Laboratory of Quantum and Computational Chemistry, Department of Chemistry, Aristotle University of Thessaloniki, GR-54124 Thessaloniki, Greece
^c J.Heyrovsky Institute of Physical Chemistry of the CAS, v.v.i., Dolejskova 2155/3, 182 23 Prague 8, Czech Republic
^d Central European Institute of Technology (CEITEC), Brno University of Technology, Purkynova 123, 612 00 Brno, Czech Republic
^e Department of Inorganic Chemistry, Faculty of Science, Charles University in Prague, Albertov 6, 128 43 Prague 2, Czech Republic
^f Department of Chemical Engineering, University of Patras, Patras 26504, Greece

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. Micropor. and Mesopor Mat. 110464, 307 (2020)

Publications Friday, 11 February 2022 02:31

Ioannis Skarmoutsos^a,b, Emmanuel N. Koukaras^b,c, Costas Galiotis^b,d, George E. Froudakis^e, Emmanuel Klontzas^a

^a Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Vass. Constantinou 48, GR-116 35, Athens, Greece
^b Institute of Chemical Engineering Sciences, Foundation of Research and Technology-Hellas (FORTH/ICE-HT), Stadiou Street, Platani, Patras, 26504, Greece
^c Department of Chemistry, Laboratory of Quantum and Computational Chemistry, Aristotle University of Thessaloniki, 54124, Thessaloniki, Greece
^d Department of Chemical Engineering, University of Patras, GR-26504, Patras, Greece
^e Department of Chemistry, University of Crete, Voutes, Heraklion, 71003, Crete, Greece

Absorption spectrum of magnesium and aluminum hydride nanoparticles. Materials Chemistry and Physics 228, 244–253 (2019)

Publications Friday, 01 November 2019 00:00

Alexandros G. Chronis^a, Michael M. Sigalas^a, Emmanuel N. Koukaras^b,c

^a Department of Materials Science, University of Patras, GR-26504, Patras, Greece
^b Institute of Chemical Engineering Sciences, Foundation of Research and Technology-Hellas (FORTH/ICE-HT), Stadiou Street, Platani, Patras, 26504, Greece
^c Molecular Engineering Laboratory, Department of Physics, University of Patras, 26500, GR Patras, Greece

Sculpturing graphene wrinkle patterns into compliant substrates. Carbon 146, 772–778 (2019)

Publications Tuesday, 01 October 2019 00:00

Krishna Sampathkumar^{a, b}, Charalampos Androulidakis^c, Emmanuel N. Koukaras^c, Jaroslava Rahova^{a, d}, Karolina Drogowska^a, Martin Kalbac^a, Aliaksei Vetushka^e, Antonin Fejfar^e, Costas Galiotis^{c, f}, Otakar Frank^a

^a J.Heyrovsky Institute of Physical Chemistry of the CAS, v.v.i, Dolejskova 2155/3, 182 23, Prague 8, Czech Republic
^b Central European Institute of Technology (CEITEC), Brno University of Technology, Purkynova 123, 612 00, Brno, Czech Republic
^c Institute of Chemical Engineering Sciences, Foundation of Research and Technology-Hellas (FORTH/ICE-HT), Stadiou Street, Platani, Patras, 26504, Greece
^d Department of Inorganic Chemistry, Faculty of Science, Charles University in Prague, Albertov 6, 128 43, Prague 2, Czech Republic
^e Institute of Physics of the CAS, v.v.i, Cukrovarnicka 10/112, 162 00, Prague 6, Czech Republic
^f Department of Chemical Engineering, University of Patras, Patras, 26504, Greece

Computational modelling of nanoporous materials for sustainable energy and environmental applications. MN0058 - 12PSCCE

Publications Monday, 01 July 2019 23:39

I. Skarmoutsos^1,2,,3*, E. Klontzas³, E. N. Koukaras², Guillaume Maurin¹

¹ Institut Charles Gerhardt Montpellier, UMR 5253 CNRS, Université de Montpellier, Place E. Bataillon, 34095 Montpellier Cedex 05, France
² Institute of Chemical Engineering Sciences, Foundation of Research and Technology-Hellas (FORTH/ICE-HT), Stadiou Street, Platani, Patras, 26504, Greece
³ Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Vass. Constantinou 48, GR-116 35, Athens, Greece

Structural, electronic and mechanical properties of molecularly pillared, 3D nanoporous graphene materials. MN0126 - 12PSCCE

Publications Monday, 01 July 2019 23:39

Manuscript in Greek.

Ε. Κλώντζας^1,2,3, Γ. Ε. Φρουδάκης¹, Ι. Σκαρμούτσος^2,3, Κ. Γαλιώτης^3,4, Ε. Ν. Κουκάρας^3,*

¹ Τμήμα Χημείας, Πανεπιστήμιο Κρήτης, Πανεπιστημιούπολη Βουτών, GR-71003, Ηράκλειο Κρήτης, Ελλάδα
² Ινστιτούτο Θεωρητικής και Φυσικής Χημείας, Εθνικό Ίδρυμα Ερευνών, Βασιλέως Κωνσταντίνου 48, GR-11635, Αθήνα, Ελλάδα
³ Ινστιτούτο Επιστημών Χημικής Μηχανικής, Ίδρυμα Τεχνολογίας και Έρευνας, οδός Σταδίου, Πλατάνι, GR-26504, Πάτρα, Ελλάδα
⁴ Τμήμα Χημικών Μηχανικών, Πανεπιστήμιο Πατρών, GR-26504, Πάτρα, Ελλάδα.

Grafel

Manuscript in Greek.