Modeling catalytic reactions in Metal Organic Frameworks (MOFs); Modeling small molecule adsorption on MOFs with open metal sites; H2 storage; Carbon and Heteroatom Nanotubes.
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BS. in Chemistry, Department of Chemistry, University of Crete, Greece, 2001.
MSc. in Applied Molecular Spectrocopy, Department of Chemistry, University of Crete, Greece, 2004
PhD in Computational Chemistry, Department of Chemistry, University of Crete, Greece, 2007
Previous Research Positions:
2001 – 2007: Postgraduate Researcher during the MSc and PhD at Department of Chemistry, University of Crete, Greece.
Supervisor: Prof. George E. Froudakis
2007 – 2009: Postdoctoral Researcher and Alexander von Humboldt Fellow at Institute for Physical Chemistry, Karlsruhe Institute of Technology, Germany.
Advisor: Prof. Dr. Wim Klopper
2009 – 2011: Postdoctoral Researcher at Institute for Chemistry, Humboldt University Berlin, Germany.
Advisor: Prof. Dr. Joachim Sauer
2011 – 2014: Postdoctoral Researcher at School of Engineering and Science, Jacobs University Bremen, Germany.
Advisor: Prof. Dr. Thomas Heine
H. Oh, I. Savchenko, A. Mavrandonakis, T. Heine, and M. Hirscher, "Highly Effective Hydrogen Isotope Separation in Nanoporous Metal–Organic Frameworks with Open Metal Sites: Direct Measurement and Theoretical Analysis", DOI: 10.1021/nn405420t, ACS Nano, 2014, 8, 761 – 770.
B. Supronowicz, A. Mavrandonakis, and T. Heine, "Interaction of Small Gases with the Unsaturated Metal Centers of the HKUST-1 Metal Organic Framework", DOI: 10.1021/jp4018037, J. Phys. Chem. C., 2013, 14570 – 14578.
M. Tonigold, Y. Lu, A. Mavrandonakis, A. Puls, R. Staudt, V. Hagen, J. Möllmer, J. Sauer, and D. Volkmer, "Pyrazolate-Based Cobalt(II)-Containing Metal–Organic Frameworks in Heterogeneous Catalytic Oxidation Reactions: Elucidating the Role of Entatic States for Biomimetic Oxidation Processes", DOI: 10.1002/chem.201003173, Chem. Eur. J., 2011, 17, 8671 – 8695.
A. Mavrandonakis, E. Klontzas, E. Tylianakis, and G.E. Froudakis, "Enhancement of Hydrogen Adsorption in Metal−Organic Frameworks by the Incorporation of the Sulfonate Group and Li Cations. A Multiscale Computational Study", DOI: 10.1021/ja9043888, J. Am. Chem Soc., 2009, 131, 13410 – 13414.
K. D. Vogiatzis, A. Mavrandonakis, W. Klopper and G.E. Froudakis, "Ab initio Study of the Interactions between CO2 and N-Containing Organic Heterocycles", DOI: 10.1002/cphc.200800583, ChemPhysChem, 2009, 10, 374 – 383.
M. Menon, E. Richter, A. Mavrandonakis, G.E. Froudakis and A.N. Andriotis, "Structure and stability of SiC nanotubes", DOI: 10.1103/PhysRevB.69.115322, Phys. Rev. B 2004, 69, 115322 .
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