Giannis Mpourmpakis (Ioannis Bourmpakis)

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Department of Chemical and Petroleum Engineering, University of Pittsburgh
Ph.D., Theoretical and Computational Chemistry, University of Crete, 2006
Summary:

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. 

Most Cited Publications: 
  1. "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)
  2. "Carbon Nanoscrolls:  A Promising Material for Hydrogen Storage," Giannis Mpourmpakis, Emmanuel Tylianakis, and George E. Froudakis, Nano Lett. 7, 1893 (2007)
  3. "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)
  4. "Stabilization of Si-based cage clusters and nanotubes by encapsulation of transition metal atoms," Antonis N Andriotis, Giannis Mpourmpakis, George E Froudakis2 and Madhu Menon, New J. Phys. 4, 78 (2002)
  5. "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)
Recent Publications: 
  1. "Site-selective Substitution of Gold Atoms in the Au24(SR)20Nanocluster by Silver," Qi Li, Michael G. TaylorKristin Kirschbaum, Kelly J. LambrightXiaofan ZhuGiannis MpourmpakisRongchao JinJournal of Colloid and Interface Science In Press
  2. "Computational Insights into Adsorption of C4 Hydrocarbons in Cation-Exchanged ZSM-12 Zeolites," Pavlo Kostetskyy and Giannis Mpourmpakis, Ind. Eng. Chem. Res. 56, 7062 (2017)
  3. "Molecular “surgery” on a 23-gold-atom nanoparticle," Qi LiTian-Yi LuoMichael G. TaylorShuxin WangXiaofan ZhuYongbo SongGiannis MpourmpakisNathaniel L. Rosi and Rongchao Jin, Science Advances 3, e1, 603193 (2017)
  4. "CO2 activation on Cu-based Zr-decorated nanoparticles," Natalie Austin, Jingyun Ye and Giannis MpourmpakisCatal. Sci. Technol 7, 2245 (2017)
  5. "Potassium-Promoted Molybdenum Carbide as a Highly Active and Selective Catalyst for CO2 Conversion to CO," Marc D. Porosoff, Jeffrey W. Baldwin, Xi Peng, Giannis Mpourmpakis, Heather D. Willauer, ChemSusChem 10, 1 (2017)

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