Giannis Mpourmpakis (Ioannis Bourmpakis)
My research expertise is interdisciplinary, blending concepts and techniques from Chemistry, Physics, Materials Science and Chemical Engineering. I use theory and computation to investigate the physicochemical properties of nanomaterials with potential applications in diverse nanotechnological areas, ranging from energy generation and storage, to materials design, nanoparticle growth, magnetism, and catalysis.
In the Computer-Aided Nano and Energy Lab (C.A.N.E.LA.), led by Prof. Mpourmpakis, we use theory and computation to investigate the physicochemical properties of nanomaterials with potential applications in diverse nanotechnological areas, ranging from green energy generation and storage to materials engineering and catalysis. Our laboratory core expertise lies on "ab-initio" electronic-structure theoretical calculations. We develop structure-activity relationships and apply multiscale tools to elucidate complex chemical processes that take place on nanomaterials. Ultimately, we design novel nanostructures with increased, molecular-level precision and tailored multifunctionality.
- "SiC Nanotubes: A Novel Material for Hydrogen Storage," Giannis Mpourmpakis and George E. Froudakis, George P. Lithoxoos and Jannis Samios, Nano Lett. 6, 1581 (2006)
- "Carbon Nanoscrolls: A Promising Material for Hydrogen Storage," Giannis Mpourmpakis, Emmanuel Tylianakis, and George E. Froudakis, Nano Lett. 7, 1893 (2007)
- "Correlating Particle Size and Shape of Supported Ru/γ-Al2O3 Catalysts with NH3 Decomposition Activity," Ayman M. Karim, Vinay Prasad, Giannis Mpourmpakis, William W. Lonergan, Anatoly I. Frenkel, Jingguang G. Chen and Dionisios G. Vlachos, J. Am. Chem. Soc.131, 12230 (2009)
- "Why boron nitride nanotubes are preferable to carbon nanotubes for hydrogen storage?: An ab initio theoretical study," Giannis Mpourmpakis, George E. Froudakis, Catalysis Today 120, 341 (2007)
- "DFT study of furfural conversion to furan, furfuryl alcohol, and 2-methylfuran on Pd (111)," V Vorotnikov, G Mpourmpakis, and DG Vlachos. Acs Catalysis 2.12 (2012)
- "Structure–property relationships on thiolate-protected gold nanoclusters." Cowan, Michael J., and Giannis Mpourmpakis. Nanoscale Advances (2019).
- "Computational Study of Methane Activation on γ-Al2O3." Cholewinski, Mitchell C., Mudit Dixit, and Giannis Mpourmpakis. ACS Omega 3, no. 12 (2018): 18242-18250.
- "Understanding Alkane Dehydrogenation through Alcohol Dehydration on γ-Al2O3." Kostetskyy, Pavlo, Carly Nolan, Mudit Dixit, and Giannis Mpourmpakis. Industrial & Engineering Chemistry Research (2018).
- "Structure Activity Relationships in Alkane Dehydrogenation on γ-Al2O3: Site-Dependent Reactions." Dixit, Mudit, Pavlo Kostetskyy, and Giannis Mpourmpakis. ACS Catalysis(2018).
- "Rethinking Heterometal Doping in Ligand-Protected Metal Nanoclusters." Taylor, Michael G., and Giannis Mpourmpakis. The journal of physical chemistry letters (2018).