Researchers

Emmanuel N. Koukaras

Emmanuel N. Koukaras

Dr. Emmanuel N. Koukaras is a Senior Research Fellow of the Composite and Nanomaterials Laboratory of FORTH/ICE-HT. He has a BSc in Physics, MSc in Theoretical and Computational Physics, and a PhD in Computational Condensed Matter Physics, all from the Department of Physics of the Univerisity of Patras. His PhD thesis is entitled «Theoretical study of silicon based nanoparticles and nanosystems». During his MSc studies he received the "K. Karatheodori" research scholarship.


Since he obtained his doctoral degree (2010) he has worked as a researcher in the Organic Chemical Technology Laboratory at the Aristotle University of Thessaloniki, and as a contract Lecturer at the Department of Informatics and Computer Technology and Department of Electronics of the Higher Technological Educational Institute of Lamia. His research interests are on the theoretical and computational study of materials through computations from first principles (ab initio), density functional theory (DFT), semiempirical methods, as well as molecular dynamics (ab initio and classical). His current research activities are primarily focused on mechanical, elastic and vibrational properties of graphene, and also in the design of molecular structures (small molecules and polymers) for organic solar cells, for hydrogen storage, and for targeted drug delivery and controlled drug release.

He has published 65 peer reviewed papers in international refereed scientific journals; he has participated in more than 10 international conferences/workshops/schools. His work has been cited more than 680 times and has achieved an h-index 17.

 

Education

University of Patras, Greece
Ph.D., Theoretical Condensed Matter Physics and Computational Material Sciences, May 2010
Dissertation: Theoretical study of silicon based nanoparticles and nanosystems. [PDF] (Greek, 18.5 MB) [COVER] (3.4 MB)
Supervisor: Aristides D. Zdetsis

University of Patras, Greece
M.Sc., Theoretical and Computational Physics, June 2006
Thesis: Theoretical study of semiconductor atomic clusters. Silicon clusters with embedded transition metals. [PDF] (Greek, 3.4 MB)

University of Patras, Greece
B.Sc., Physics, October 2003
Bachelor Thesis: Development of super cell applications in real space.

 

Work/Research Experience

  • 2012, April– Researcher at the Institute of Chemical Engineering Sciences (ICE-HT) of the Foundation for Research and Technology, Hellas (FORTH).
  • 2011, May–2012, March Research Associate at Laboratory of Organic Chemical Technology, Department of Chemistry, Aristotle University of Thessaloniki, Greece.
  • 2011–2011, July Visiting Professor (Collaborator) at the Department of Electronics, Higher Technological Educational Institute of Lamia, Greece.
  • 2010, Sept.–2011, July Visiting Professor (Collaborator) at the Department of Informatics and Computer Technology, Higher Technological Educational Institute of Lamia, Greece.
  • 2010–2012 Postdoctoral Research Fellow under the supervision of professor Aristides D. Zdetsis, Department of Physics, University of Patras, Greece.
  • 2009–2013 [First Phase] Technical Architecture and Design of the Molecular Engineering Group's Computer Cluster (based on Rocks 5.2.1, named Coeus) at the Physics Department of the University of Patras. [Second Phase] Network & Systems Administration for the aforementioned cluster.
  • 2003–2013 [First Phase] Technical Architecture and Design of the Molecular Engineering Group's Computer Cluster (BEOWULF named Moly) at the Physics Department of the University of Patras. [Second Phase] Network & Systems Administration for the aforementioned cluster.
  • 2000–2001 Military service; a grand tour of Greece sponsored by the Greek Army. Major stops at the following cities: Korinthos, Feres Evrou, Serres.
  • 1993–1997 Assistant Systems & Network Administrator at the Computer Center of the Physics Department of the University of Patras.

 

Papers

  1. BODIPY-diketopyrrolopyrrole-porphyrin conjugate Small Molecules for Use in Bulk Heterojunction Solar Cells,
    Leo Bucher, Nicolas Desbois, Emmanuel N. Koukaras, Charles H. Devillers, Subhayan Biswas, Ganesh D. Sharma and Claude P. Gros,
    RSC Journal of Materials Chemistry A (JUST ACCEPTED) (2018), DOI: 10.1039/
  2. Wrinkling formation in simply-supported graphenes under tension and compression loadings,
    Charalampos Androulidakis, Emmanuel N. Koukaras, Maria Giovanna Pastore Carbone, Maria Hadjinicolaou and Costas Galiotis,
    RSC Nanoscale 9, 18180–18188 (2017), DOI: 10.1039/C7NR06463B
  3. Dithienosilole-phenylquinoxaline-Based copolymers with D-A-D-A and D-A Structures for Polymer Solar cells,
    M. L. Keshtov, A.R. Khokhlov, S. A. Kuklin, A. Yu. Nikolaev, E. N. Koukaras, and Ganesh. D. Sharma,
    Journal of Polymer Science Part A: Polymer Chemistry JUST ACCEPTED (2017), DOI: 10.1002/pola.
  4. Wrinkled Few-Layer Graphene as Highly Efficient Load Bearer,
    Charalampos Androulidakis, Emmanuel N. Koukaras, Jaroslava Rahova, Krishna Sampathkumar, John Parthenios, Konstantinos Papagelis, Otakar Frank, and Costas Galiotis,
    ACS Applied Materials & Interfaces 9, 26593–26601 (2017), DOI: 10.1021/acsami.7b07547
  5. Polymer Solar Cells Based Low Bandgap A1-D-A2-D Terpolymer Based on Fluorinated Thiadiazoloquinoxaline and Benzothiadiazole Acceptors with Energy Loss Less Than 0.5 eV,
    M. L. Keshtov, D.Y. Godovskiy, S.A. Kuklin, A.R. Khokhlov, S.A. Osipov, N. A. Radychev, I.O.Konstantinov, F.C. Chen, E. N. Koukaras, and Ganesh D. Sharma,
    Organic Electronics 46, 192–202 (2017), DOI: 10.1016/j.orgel.2017.04.015
  6. Computational study of the excitation energies of CdSe nanoparticles with defects,
    Fotios I. Michos, Michail M. Sigalas, and Emmanuel N. Koukaras,
    IEEE Journal of Selected Topics in Quantum Electronics 23, 4800305 (2017), DOI: 10.1109/JSTQE.2017.2665643
  7. New D-A1-D-A2 type regular terpolymers containing benzothiadiazole and benzotrithiophene acceptor units for photovoltaic application,
    Mukhamed L. Keshtova, Alexei R. Khokhlov, Serge A. Kuklin, Fang-Chung Chen, Emmanuel N. Koukaras and Ganesh D. Sharma,
    ACS Applied Materials & Interfaces 8, pp 32998–33009 (2016), DOI: 10.1021/acsami.6b08802
  8. Synthesis and photophysical properties of semiconductor molecules D1-A-D2-A-D1-type structure based on derivatives of quinoxaline and dithienosilole for organics solar cells,
    M. L. Keshtova, D. Yu. Godovsky, S. A. Kuklin, A. Nicolaev, J. Lee, J. Kim, B. Lim, H, K. Lee, E. N. Koukaras, Ganesh D. Sharma,
    Organic Electronics 39, 361–370 (2016), DOI: 10.1016/j.orgel.2016.10.010
  9. Systematic spatial and stoichiometric screening towards understanding the surface of ultrasmall oxygenated silicon nanocrystal,
    Shanawer Niaz, Aristides D. Zdetsis, Emmanuel N. Koukaras, Oğuz Gülseren, Imran Sadiq,
    Applied Surface Science 387, 771–778 (2016), DOI: 10.1016/j.apsusc.2016.06.197
  10. Design of diketopyrrolopyrrole chromophores applicable as sensitizers in dye-sensitized photovoltaic windows for green houses,
    Naresh Duvva, Dimitris Raptis, Challuri Vijay Kumar, Emmanuel N. Koukaras, Lingamallu Giribabu, Panagiotis Lianos,
    Dyes and Pigments 134, 472–479 (2016), DOI: 10.1016/j.dyepig.2016.07.046
  11. Synthesis and photophysical properties of regioregular low bandgap copolymers with controlled 5-fluorobenzotriazole orientation for photovoltaic application,
    M. L. Keshtov, A. R. Khokhlov, S. A. Kuklin, I. E. Ostapov, A. Yu. Nikolaev, I. O. Konstantinov, Abhishek Sharma, E. N. Koukaras and Ganesh D. Sharma,
    RSC Polymer Chemistry 7, 5849–5861 (2016), DOI: 10.1039/C6PY01173J
  12. New ultra low bandgap thiadiazolequinoxaline-based D-A copolymers for photovoltaic applications,
    M. L. Keshtov, S. A. Kuklin, I. O. Konstantinov, I. E. Ostapov, M. A. Topchiy, A. R. Khokhlov, E. N. Koukaras, G. D. Sharma,
    Organic Electronics 37, 411–420 (2016), DOI: 10.1016/j.orgel.2016.07.016
  13. Synthesis of new D-A1-D-A2 type low bandgap terpolymers based on different thiadiazoloquinoxaline acceptor units for efficient polymer solar cells,
    M. L. Keshtov, S. A. Kuklin, N. A. Radychev, I. E. Ostapov, A. Y. Nikolaev, I. O. Konstantinov, M. M. Krayushkin, E. N. Koukaras, A. Sharma, G. D. Sharma,
    RSC Advances 6, 71232–71244 (2016), DOI: 10.1039/c6ra14537j
  14. Design, synthesis and photophysical properties of D1-A-D2-A-D1-type small molecules based on fluorobenzotriazole acceptor and dithienosilole core donor for solution processed organic solar cells,
    M. L. Keshtov, D. Yu Godovsky, S. A. Kuklin, J. Lee, J. Kim, B. Lim, H. K. Lee, S. Biswas, E. N. Koukaras, G. D. Sharma,
    Dyes and Pigments 132, 387–397 (2016), DOI: 10.1016/j.dyepig.2016.05.022
  15. Synthesis of alternating D–A1–D–A2 terpolymers comprising two electron-deficient moieties, quinoxaline and benzothiadiazole units for photovoltaic applications,
    M. L. Keshtov, A. R. Khokhlov, S. A. Kuklin, F. C. Chen, A. Y. Nikolaev, E. N. Koukaras, and G. D. Sharma,
    RSC Polymer Chemistry 7, 4025–4035 (2016), DOI: 10.1039/c6py00652c
  16. Long-lived discrete breathers in free-standing graphene,
    Alberto Fraile, Emmanuel N. Koukaras, Konstantinos Papagelis, Nikos Lazarides, G.P. Tsironis,
    Chaos, Solitons and Fractals 87, 262–267 (2016), DOI: 10.1016/j.chaos.2016.04.015
  17. Compression behavior of simply-supported and fully embedded monolayer graphene: theory and experiment,
    Emmanuel N. Koukaras, Charis Androulidakis, Konstantinos Papagelis, George Anagnostopoulos, and Costas Galiotis,
    Extreme Mechanics Letters 8, 191–200 (2016), DOI: 10.1016/j.eml.2016.03.016
  18. Fully Hydrogenated Beryllium Nanoclusters,
    Emmanuel N. Koukaras, Aris P. Sgouros, and Michael M. Sigalas,
    ACS Journal of the American Chemical Society (JACS)     138, 3218–3227 (2016), DOI: 10.1021/jacs.6b00135
  19. New low band gap near-IR conjugated D-A copolymers for BHJ polymers solar cell applications,
    Mukhamed Lostambievich Keshtov, S. A. Kuklin, Nikolay Radychev, A. Y. Nikolaev, I. E. Ostapov, M. M. Krayushkin, I. O. Konstantinov, Emmanuel N. Koukaras, Abhishek Sharma, and Ganesh D. Sharma,
    RSC Physical Chemistry Chemical Physics (PCCP) 18, 8389-8400 (2016), DOI: 10.1039/c5cp07705b
  20. Design and synthesis of new ultra-low band gap thiadiazoloquinoxaline-based polymers for nearinfrared organic photovoltaic application,
    M. L. Keshtov, S. A. Kuklin, N. A. Radychev, A. Yu. Nikolaev, E. N. Koukaras, Abhishek Sharma and G. D. Sharma,
    RSC Advances 6, 14893 (2016), DOI: 10.1039/c5ra24364e
  21. Graphene flakes under controlled biaxial deformation,
    Charalampos Androulidakis, Emmanuel N. Koukaras, John Parthenios, George Kalosakas, Konstantinos Papagelis, and Costas Galiotis,
    NPG Scientific Reports 5, 18219 (2015), DOI: 10.1038/srep18219 (OPEN ACCESS)
  22. Donor–acceptor–acceptor–donor small molecules for solution processed bulk heterojunction solar cells,
    P. Gautam, R. Misra, E.N. Koukaras, Abhishek Sharma, G.D. Sharma,
    Organic Electronics 25, 72 (2015), DOI: 10.1016/j.orgel.2015.09.006
  23. Chitosan derivatives as effective nanocarriers for ocular release of timolol drug,
    Panoraia I. Siafaka, Alexandra Titopoulou, Emmanuel N. Koukaras, Margaritis Kostoglou, Efthimios Koutris, Evangelos Karavas, Dimitrios N. Bikiaris,
    International Journal of Pharmaceutics 495, 249 (2015), DOI: 10.1016/j.ijpharm.2015.08.100
  24. Graphene as a hexagonal 2-lattice: evaluation of the in-plane material constants for the linear theory. A multiscale approach,
    D. Sfyris, E.N. Koukaras, N. Pugno, C. Galiotis,
    AIP Journal of Applied Physics 118, 075301 (2015), DOI: 10.1063/1.4928464
  25. New Alternating D–A1–D–A2 Copolymer Containing Two Electron-Deficient Moieties Based on Benzothiadiazole and 9-(2-Octyldodecyl)-8H-pyrrolo[3,4-b]bisthieno[2,3-f:3',2'-h] quinoxaline-8,10(9H)-dione for Efficient Polymer Solar Cells,
    M. L. Keshtov, S. A. Kuklin, D. Y. Godovsky, A. R. Khokhlov, R. Kurchania, F. C. Chen, Emmanuel N. Koukaras, G. D. Sharma,
    Journal of Polymer Science Part A: Polymer Chemistry 54, 155–168 (2015), DOI: 10.1002/pola.27786
  26. Phonon properties of graphene derived from molecular dynamics simulations,
    Emmanuel N. Koukaras, George Kalosakas, Costas Galiotis, and Konstantinos Papagelis,
    NPG Scientific Reports 5, 12923 (2015) DOI: 10.1038/srep12923 (OPEN ACCESS)
  27. Efficient solution processed D1–A–D2–A–D1 small molecules bulk heterojunction solar cells based on alkoxy triphenylamine and benzo[1,2-b:4,5-b']thiophene units,
    Challuri Vijay Kumar, Lydia Cabau, Emmanuel N. Koukaras, Ganesh D. Sharma, Emilio Palomares,
    Organic Electronics 26, 36–47 (2015), DOI: 10.1016/j.orgel.2015.07.014
  28. A–π–D–π–A based porphyrin for solution processed small molecule bulk heterojunction solar cells,
    Challuri Vijay Kumar, Lydia Cabau, Emmanuel N. Koukaras, Abhishek Sharma, Ganesh D. Sharma and Emilio Palomares,
    RSC Journal of Materials Chemistry A 3, 16287 (2015), DOI: 10.1039/c5ta03463a
  29. Suspended monolayer graphene under true uniaxial deformation,
    Ioannis Polyzos, Massimiliano Bianchi, Laura Rizzi, Emmanuel N. Koukaras, John Parthenios, Konstantinos Papagelis, Roman Sordan and Costas Galiotis,
    RSC Nanoscale 7, 13033 (2015), DOI: 10.1039/c5nr03072b
  30. Study of an indoline–phenothiazine based organic dye for Dye-Sensitized Solar Cells. Theoretical calculations and experimental data,
    Challuri Vijay Kumar, Dimitrios Raptis, Emmanuel N. Koukaras, Lamprini Sygellou, Panagiotis Lianos,
    Organic Electronics 25, 66–73 (2015), DOI: 10.1016/j.orgel.2015.06.009
  31. Graphene Mechanics: Current Status and Perspectives,
    Costas Galiotis, Otakar Frank, Emmanuel N. Koukaras, Dimitris Sfyris,
    Annual Review of Chemical and Biomolecular Engineering 6, 121–140 (2015) DOI: 10.1146/annurev-chembioeng-061114-123216
  32. Characterization of metal-free D-(π- A)2 organic dye and its application as cosensitizer along with N719 dye for efficient dye-sensitized solar cells,
    M. Singh, R. Kurchania, A. Pockett, R. J. Ball, E. N. Koukaras, P. J. Cameron and G. D. Sharma,
    Indian Journal of Physics 89, 1041-1050 (2015), DOI: 10.1007/s12648-015-0681-0
  33. Efficient bulk heterojunction solar cells based on solution processed small molecules based on same benzo[1,2-b:4, 5-b¢]thiophene unit as core donor and different terminal units,
    Vijay Kumar, Lydia Cabau, Emmanuel N. Koukaras, S. A. Siddiqui, Ganesh D. Sharma and Emilio Palomares,
    RSC Nanoscale 7, 7692–7703 (2015), DOI: 10.1039/C5NR01037C
  34. Stress transfer mechanisms at the sub-micron level for graphene/ polymer systems,
    George Anagnostopoulos, Charalampos Androulidakis, Emmanuel N. Koukaras, Georgia Tsoukleri, Ioannis Polyzos, John Parthenios, Konstantinos Papagelis, and Costas Galiotis,
    ACS Applied Materials & Interfaces 7, 4216–4223 (2015), DOI: 10.1021/am508482n (OPEN ACCESS)
  35. Solution processed organic solar cells based on A–π–D–π–A Small Molecule with benzo[1,2-b:4,5-b']dithiophene donor unit and ethylrhodanine acceptor unit having 6 % light to energy conversion efficiency,
    Challuri Vijay Kumar, Lydia Cabau, E. N. Koukaras, Aurelien Viterisi, G. D. Sharma and Emilio Palomares,
    RSC Journal of Materials Chemistry A 3, 4892–4902 (2015), DOI: 10.1039/C4TA05807K
  36. Alternative use of cross-linked polyallylamine (known as Sevelamer pharmaceutical compound) as biosorbent,
    George Z. Kyzas, Panoraia I. Siafaka, Dimitrios N. Bikiaris, Emmanuel N. Koukaras, George E. Froudakis,
    Journal of Colloid and Interface Science 442, 49–59 (2015), DOI: 10.1016/j.jcis.2014.11.036
  37. Synthesis, Optical and Electrochemical Properties of A–π–D–π–A Porphyrin and its Application as Electron Donor in Efficient Solution Processed Bulk Heterojunction Solar Cells,
    Challuri Vijay Kumar, Lydia Cabau, E. N. Koukaras, Emilio J. Palomares and G D. Sharma,
    RSC Nanoscale 7, 179–189 (2015), DOI: 10.1039/C4NR05565A
  38. Donor-π-acceptor, triazine-linked porphyrin dyads as sensitizers for dye-sensitized solar cells,
    Ganesh D. Sharma, Galateia E. Zervaki, Kalliopi Ladomenou, Emmanuel N. Koukaras, Panagiotis P. Angaridis, and Athanassios G. Coutsolelos,
    Journal of Porphyrins and Phthalocyanines 19, 175–191 (2015), DOI: 10.1142/S108842461450117X
  39. Synthesis, optical and electrochemical properties new donor–acceptor (D–A) copolymers based on benzo[1,2-b:3,4-b':6,5-b"] trithiophene donor and different acceptor units: Application as donor for photovoltaic devices,
    M.L. Keshtov, Y. Geng, S.A. Kuklin, A.R. Khokhlov, E.N. Koukaras, G.D. Sharma,
    Organic Electronics 17, 167–177 (2014), DOI: 10.1016/j.orgel.2014.11.011
  40. Synthesis and Photovoltaic Properties of New Donor-Acceptor (D-A) Copolymers Based on Benzo[1,2-b:3,4-b':6,5-b'']trithiophene donor and different acceptor units (P1 and P2),
    G. D. Sharma, Mukhamed Lostambievich Keshtov, Y. Deng, Zhiyuan Xie, Yanhou Geng, E. N. Koukaras, A. R. Khokhlov, S. A. Kuklin and V. S. Kochurov,
    RSC Advances 4, 53531–53542 (2014), DOI: 10.1039/C4RA05680A
  41. Ab initio theoretical investigation of beryllium and beryllium hydride nanoparticles and nanocrystals with implications for the corresponding infinite systems,
    Aristides D. Zdetsis, Michael M. Sigalas, Emmanuel N. Koukaras,
    RSC Physical Chemistry Chemical Physics (PCCP) 16, 14172–14182 (2014), DOI: 10.1039/C4CP01587H
  42. Failure Processes in Embedded Monolayer Graphene under Axial Compression,
    Charalampos Androulidakis, Emmanuel N. Koukaras, Otakar Frank, Georgia Tsoukleri, Dimitris Sfyris, John Parthenios, Nicola Pugno, Konstantinos Papagelis, Kostya S. Novoselov and Costas Galiotis,
    NPG Scientific Reports 4, 5271 (2014), DOI: 10.1038/srep05271 (OPEN ACCESS)
  43. Compression failure of graphene sheets in polymer nanocomposites,
    Charalampos Androulidakis, Emmanuel N. Koukaras, Otakar Frank, Georgia Tsoukleri, Dimitris Sfyris, John Parthenios, Nicola Pugno, Konstantinos Papagelis, Kostya S. Novoselov, and Costas Galiotis,
    ECCM16 – 16th European Conference on Composite Materials, Seville, Spain, 22–26 June (2014)
  44. Towards Efficient Drug Delivery Trough Suitably Prepared Metal-Organic-Frameworks: A First Principle Study,
    Emmanuel N. Koukaras, Tamsyn Montagnon, Pantelis Trikalitis, Dimitrios Bikiaris, Aristides D. Zdetsis, George E. Froudakis,
    ACS Journal of Physical Chemistry C 118, 8885–8890 (2014), DOI: 10.1021/jp410282m
  45. Size Dependence of the Structural, Electronic, and Optical Properties of (CdSe)n, n=6–60, Nanocrystals,
    Michael M. Sigalas, Emmanuel N. Koukaras and Aristides D. Zdetsis,
    RSC Advances 4, 14613–14623 (2014), DOI: 10.1039/C4RA00966E
  46. Properties and energetics for design and characterization of chitosan nanoparticles used for drug encapsulation,
    Emmanuel N. Koukaras, Sofia A. Papadimitriou, Dimitrios N. Bikiaris, George E. Froudakis,
    RSC Advances 4, 12653–12661 (2014), DOI: 10.1039/C3RA47572G
  47. Dye-sensitized solar cells based on triazine-linked porphyrin dyads containing one or two carboxylic acid anchoring groups,
    Galateia E. Zervaki, Panagiotis A. Angaridis, Emmanuel N. Koukaras, Ganesh D. Sharma and Athanassios G. Coutsolelos,
    RSC Inorganic Chemistry Frontiers 1, 256 (2014), DOI: 10.1039/C3QI00095H
  48. New conjugated alternated benzodithiophene-containing copolymers with different acceptor units: synthesis and photovoltaic application,
    G.D.Sharma, V.S. Kochurov, D.V. Marochkin, A.R. Khokhlov and E.N. Koukaras,
    RSC Journal of Materials Chemistry A 2, 155–171 (2013), DOI: 10.1039/C3TA12967E
  49. Synthesis and characterization of two carbazole-based alternating copolymers with 4-nitrophenylcyanovinylene pendant groups and their use as electron donors for bulk heterojunction solar cells,
    G. D. Sharma, Manjeet Singh, Rajnish Kurchania, E. N. Koukaras and J. A. Mikroyannidis,
    RSC Advances 3,18821–18834 (2013), DOI: 10.1039/c3ra42299b
  50. Size dependence of the optical gap of “small” silicon quantum dots: Ab Initio and empirical correlation schemes,
    Shanawer Niaz, Emmanuel N. Koukaras, Nikolaos P. Katsougrakis, Theodoros G. Kourelis, Dimitrios K. Kougias and Aristides D. Zdetsis,
    Microelectronic Engineering 112, 231–234 (2013), DOI: 10.1016/j.mee.2013.07.005
  51. Synthesis and characterization of low band gap quinoxaline based D−A copolymer and its application as donor for bulk heterojunction polymer solar cells,
    M. L. Keshtov, D. V. Marochkin, V. S. Kochurov, A. R. Khokhlov, E. N. Koukaras and G. D. Sharma,
    RSC Polymer Chemistry 4, 4033-4044 (2013), DOI: 10.1039/C3PY00391D
  52. Theoretical study of oxygen contaminated silicon quantum dots: A case study for Si29H29-xO29-y,
    Aristides D. Zdetsis, Shanawer Niaz, and Emmanuel N. Koukaras,
    Microelectronic Engineering 112, 227–230 (2013), DOI: 10.1016/j.mee.2013.05.008
  53. Ab initio study of Magnesium and Magnesium hydride nanoclusters and nanocrystals: Examining optimal structures and compositions for efficient hydrogen storage,
    Emmanuel N. Koukaras, Aristides D. Zdetsis, Michael M. Sigalas,
    ACS Journal of the American Chemical Society (JACS) 134, 15914–15922 (2012), DOI: 10.1021/ja306344b []
  54. Insight on the Formation of Chitosan Nanoparticles through Ionotropic Gelation with Tripolyphosphate,
    Emmanuel N. Koukaras, Sofia A. Papadimitriou, Dimitrios N. Bikiaris, and George E. Froudakis,
    ACS Molecular Pharmaceutics 9, 2856–2862 (2012), DOI: 10.1021/mp300162j []
  55. Phononic bandgaps in graphene-based materials,
    Michael M. Sigalas and Emmanuel N. Koukaras,
    AIP Applied Physics Letters 100, 203109 (2012) DOI: 10.1063/1.4717746 []
  56. Structural and Static Electric Response Properties of Highly Symmetric Lithiated Silicon Cages: Theoretical Predictions,
    Emmanuel N. Koukaras, Aristides D. Zdetsis, Panaghiotis Karamanis, Claude Pouchan, Aggelos Avramopoulos and Manthos Papadopoulos,
    ACS Journal of Computational Chemistry 33, 1068–1079 (2012). Selected for the Issue 10 (15 April 2012) Cover Article. DOI: 10.1002/jcc.22938 ]
  57. Theoretical study of Si20Li20 cage cluster,
    Aristides D. Zdetsis and Emmanuel N. Koukaras,
    AIP Conference Proceedings 1504, 683–686 (2012), DOI: 10.1063/1.4771787 []
  58. Ab initio study of the Silicon-Bismuth interface: Bismuth nanolines and Bismuth-covered Silicon nanoparticles,
    Aristides D. Zdetsis, Emmanuel N. Koukaras and Dimitrios A. Zdetsis,
    Microelectronic Engineering 90, 99–103 (2011), DOI: 10.1016/j.mee.2011.05.031 []
  59. Theoretical study of the elasticity of ultra-thin finite silicon nanowires. I. Semiempirical model considerations,
    Emmanuel N. Koukaras, Shanawer Niaz, Dimitrios A. Zdetsis and Aristides D. Zdetsis,
    Microelectronic Engineering 90, 88–91 (2011), DOI: 10.1016/j.mee.2011.04.042 []
  60. Theoretical Study of Amino Acid Interaction with Metal−Organic Frameworks,
    E. N. Koukaras, A. D. Zdetsis and G. E. Froudakis,
    ACS Journal of Physical Chemistry Letters 2, 272 (2011), DOI: 10.1021/jz101602p []
  61. Organometallic Multidecker silicon-carbon sandwiches,
    E. N. Koukaras and A. D. Zdetsis.
    In proceedings of XXVI Panhellenic Conference on Solid State Physics and Material Science, Ioannina, Greece (2010), pg. 301 [PDF] []
  62. Ab initio investigation of the interaction of glycine and other amino acids with Metal-Organic-Frameworks (MOFs),
    Emmanuel N. Koukaras, Aristides D. Zdetsis, and George E. Froudakis.
    In proceedings of XXVI Panhellenic Conference on Solid State Physics and Material Science, Ioannina, Greece (2010), pg. 299 [PDF] []
  63. Exploring the possibility of drug delivery for cancer therapy through carbon-boron and carbon-silicon nanorods,
    E. N. Koukaras, N. Katsougrakis, T. Kourelis, and A. D. Zdetsis.
    In proceedings of XXVI Panhellenic Conference on Solid State Physics and Material Science, Ioannina, Greece (2010), pg. 225 [PDF] []
  64. Multidecker Sandwiches of Silicon-Carbon Clusters,
    E. N. Koukaras and A. D. Zdetsis,
    Organometallics 28 (15), 4308–4315 (2009), DOI: 10.1021/om9003253 []
  65. A systematic way for obtaining the structural and electronic properties of Silicon-Carbon clusters of the form SinC2, n=1–5,
    E. N. Koukaras, M. Mühlhäuser and A. D. Zdetsis,
    AIP Conference Proceedings 1148, 384 (2009), DOI: 10.1063/1.3225323
  66. Multidecker stacking and cluster fusion of silicon-carbon clusters,
    E. N. Koukaras and A. D. Zdetsis,
    AIP Conference Proceedings 1148, 368 (2009), DOI: 10.1063/1.3225318
  67. Elastic properties of ultra-thin hydrogenated silicon nanowires based on all electron mixed ab initio and semiempirical calculations,
    E. N. Koukaras, C. S. Garoufalis and A. D. Zdetsis,
    AIP Conference Proceedings 1148, 376 (2009), DOI: 10.1063/1.3225320
  68. A parallel study of Ni@Si12 and Cu@Si12 nanoclusters,
    A. D. Zdetsis, E. N. Koukaras and C. S. Garoufalis,
    Journal of Mathematical Chemistry 46, 971 (2009), DOI: 10.1007/s10910-009-9549-x []
  69. Mixed silicon-germanium nanocrystals: A detailed study of SixGe47-x:H,
    A. D. Zdetsis, C. S. Garoufalis and E. N. Koukaras,
    Journal of Mathematical Chemistry 46, 942 (2009), DOI: 10.1007/s10910-009-9555-z []
  70. Novel effects in finite-length silicon nanowires,
    A. D. Zdetsis, E. N. Koukaras and C. S. Garoufalis,
    Phys. Stat. Sol. (a) 205, 2625, (2008), DOI: 10.1002/pssa.200780159 []
  71. Structural properties and magic structures in hydrogenated finite and infinite silicon nanowires,
    A. D. Zdetsis, E. N. Koukaras and C. S. Garoufalis,
    AIP Applied Physics Letters 91, 203112, (2007), DOI: 10.1063/1.2813019 []
  72. High-stability Finite-Length Silicon Nanowires: A Real Space Theoretical Study,
    E. N. Koukaras, A. D. Zdetsis and C. S. Garoufalis,
    AIP Conference Proceedings 963, 375 (2007), DOI: 10.1063/1.2836089 []
  73. Electronic and Structural Properties of M@Si12 and M@Si12H12 Clusters, M = Ni, Zn,
    E. N. Koukaras and A. D. Zdetsis,
    AIP Conference Proceedings 963, 395 (2007), DOI: 10.1063/1.2836094 []
  74. Ab initio study of electronic and structural properties of the Ni@Si10 cluster,
    E. N. Koukaras, C. S. Garoufalis and A. D. Zdetsis,
    Lecture Series on Computer and Computational Sciences 7B, 1174, Brill Academic Publishers, eds. T. Simos and G. Maroulis (2006)
  75. Ab initio study of optical and electronic properties of silicon and germanium Nanowires,
    E. N. Koukaras, C. S. Garoufalis and A. D. Zdetsis,
    Lecture Series on Computer and Computational Sciences 7B, 1182, Brill Academic Publishers, eds. T. Simos and G. Maroulis (2006)
  76. A comparative DFT and MPn study of isoelectronic [Co@Si12]-1, [Ni@Si12] and [Cu@Si12]+1 clusters,
    A. D. Zdetsis, E. N. Koukaras and C. S. Garoufalis,
    Lecture Series on Computer and Computational Sciences 7B, 1178, Brill Academic Publishers, eds. T. Simos and G. Maroulis (2006)
  77. Structure and properties of the Ni@Si12 cluster from all-electron ab initio calculations,
    E. N. Koukaras, C. S. Garoufalis and A. D. Zdetsis,
    APS Physical Review B 73, 235417 (2006), DOI: 10.1103/PhysRevB.73.235417 []
  78. Structural and electronic properties of the Ni@Si12 nanocluster,
    E. N. Koukaras, C. S. Garoufalis and A. D. Zdetsis,
    Lecture Series on Computer and Computational Sciences    , 4 1492 (2005).
  79. Optical and electronic properties of mixed SiGe:H nanocrystals,
    A. D. Zdetsis , C. S. Garoufalis and E. N. Koukaras,
    Lecture Series on Computer and Computational Sciences, 4 1488 (2005).
  80. Variation and adjustment of the optical gap of small Si nanocrystals by partial substitution of Si with Ge,
    A. D. Zdetsis, C. S. Garoufalis, M. S. Skaperda and E. N. Koukaras,
    IOP Journal of Physics: Conference Series 10, 101 (2005), DOI: 10.1088/1742-6596/10/1/025 []
  81. Theoretical calculations of the optical gap for germanium and silicon-germanium quantum dots.
    M. Skaperda, C. S. Garoufalis, E. Koukaras and A. D. Zdetsis.
    In proceedings of XX Hellenic Solid State Physics Conference, Ioannina, Greece (2004).

 

Presentations

  • 2016 – Examining the response of graphene and other 2D crystals under mechanical loads, (INVITED) Talk at the International Conference of the Condensed Matter Division of the European Physical Society (EPS) (CMD26), 4 – 9 September 2016, Groningen, The Netherlands.
  • 2013 – Density Functional Theory, The Route to Chemical Accuracy, Theoretical and Computational Nanophysics and Chemistry Workshop of the Nanomaterials Theoretical Design Intra-University Network (Nanotheo 2013), 21 May 2013, University of Patras, Patras, Greece.
  • 2010 – All Electron Ab Initio Calculations for the Interaction of Glycine and Tyrosine with Metal–Organic–Frameworks (MOFs), International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2010), 03 – 08 October 2010, Psalidi, Kos, Greece, Greece.
  • 2008 – Multidecker Stacking and Cluster Fusion of Silicon–Carbon Clusters, International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2008), 25 – 30 September 2008, Hersonissos, Crete, Greece.
  • 2007 – High-stability finite-length silicon nanowires: A real space theoretical study, Third International Conference Micro & Nano (Micro & Nano 2007), 18 – 21 November 2007, NCSR Demokritos, Athens, Greece.
  • 2006 – Ab initio study of optical and electronic properties of silicon Nanowires, International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2006), 27 October – 1 November 2006, Chania, Crete, Greece.
  • 2005 – Structural and Electronic Properties of the Ni@Si12 nanocluster, International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2005), 21 – 26 October 2005, Loutraki, Korinthos, Greece.

 

International Professional Services

Reviewer of proposals submitted to the American Chemical Society Petroleum Research Fund.
Reviewer of the Journal of the American Chemical Society.
Reviewer of the International Journal of Hydrogen Energy.
Reviewer of the journal Physical Chemistry Chemical Physics (RSC PCCP).
Reviewer of the journal Materials Science in Semiconductor Processing.
Reviewer of the journal Advanced Composites Letters.
Reviewer of the journal RSC Advances.
Reviewer of the journal Materials Today.
Reviewer of the journal NPG Scientific Reports.
Reviewer of the journal Graphene Technology.

 

Scientific Committees

Member, Local Organizing Committee
Workshop on Graphene: Second Graphene Summer School, FORTH Graphene Center, Patras, Greece, 14−18 July, 2014.
Member, Local Organizing Committee
Industrial Technologies 2014 Conference, Athens International Conference Centre Megaron, Greece, April 9−11, 2014.
Industrial Technologies 2014 is a Greek Presidency 2014 event under the auspices of the General Secretariat of Research & Technology (GSRT).
Member, Scientific Program Committee,
First Workshop on Theoretical and Computational Nanophysics and Chemistry, Patras, Greece, May 31, 2013.

 

Awards

2008 Young Scientist Excellence Award of ICCMSE (International Conference in Computational Methods in Science and Engineering) 2008
2003-2005 Postgraduate grant from the Research Committee of the University of Patras, "K. Karatheodori"

 

Academics

  • Movement of charged particles in a magnetic dipole field. Part of a graduate course in Mechanics at the Physics Department of the Univeristy of Patras [] (Greek, 1027kB).
  • Interfacing Mathematica with external programs. Part of a graduate course in Symbolic Programming at the Department of the Univeristy of Patras [] (Greek, 185kB) [] (complete package along with a mathematica notebook, 274kB).
  • Monte Carlo Methods and the Ising Model. Part of a graduate course in Simulation of Physical Systems at the Department of the Univeristy of Patras [] (Greek, 904kB) [] (complete package along with executables and source code - Win32, 1065kB).
  • Quantum Zeno Effect. A small essay, part of a graduate course in Quantum Mechanics at the Department of the Univeristy of Patras [] (Greek, 419kB)

 

Contact Information

Emmanuel N. Koukaras, Ph.D.
Computational Condensed Matter Physics and Material Sciences
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Senior Research Fellow
Composites and Nano Materials Laboratory (CNM)
Institute of Chemical Engineering Sciences (ICE-HT)
Foundation for Research and Technology (FORTH)
Tel: (+30) 2610 965259
e-mail: This email address is being protected from spambots. You need JavaScript enabled to view it.
www: http://cnm.iceht.forth.gr
www: http://www.iceht.forth.gr
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Senior Research Fellow
Nanotechnology and Advanced Materials Laboratory (NAM)
Division of Materials Science and Technology
Department of Chemical Engineering
Tel: (+30) 2610 962754
www: http://nanotech.chemeng.upatras.gr

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