Pitt | Swanson Engineering
Mpourmpakis, Giannis (Bourmpakis, Ioannis)
Chem/Petroleum Engineering

PhD in Theoretical and Computational Chemistry, University of Crete, 2006

MS in Applied Molecular Spectroscopy, University of Crete, 2003

BS in Chemistry, University of Crete, 2001

Catalytic Processes on Metals and Metal Oxides

Hydrogen Storage

Nanoparticle Growth

Austin, N., Johnson, K.J., and Mpourmpakis, G., 2014, "Au13: CO Adsorbs and Catalyst Responds," Under Preparation, Manuscript submitted for publication.

Kostetskyy, P., and Mpourmpakis, G., 2014, "Structure-activity relationships in the production of olefins from alcohols and ethers: A first-principles theoretical study," Under Preparation, Manuscript submitted for publication.

Maheswari, J.P., Kostetskyy, P., and Mpourmpakis, G., 2014, "Understanding the stability of carbenium ions in the conversion of biomass-derived alcohols with first principles calculations," Under Preparation, Manuscript submitted for publication.

Christiansen, M.A., Mpourmpakis, G., and Vlachos, D.G., 2015, "DFT-driven Multi-Site Microkinetic Modeling of Ethanol Conversion to Ethylene and Diethyl Ether on ¿-Al2O3(111)," J. Catalysis, pp. 121-131.

Nikbin, N., Austin, N., Vlachos, D.G., Stamatakis, M., and Mpourmpakis, G., 2015, "Catalysis at the Sub-Nanoscale: Complex CO Oxidation Chemistry on a Few Au Atoms," Catal. Sci. & Technol., no.1, pp. 143-141.

Andriotis, A.N., Mpourmpakis, G., Broderick, S., Rajan, K., Datta, S., Sunkara, M., and Menon, M., 2014, "Informatics Guided Discovery of Surface Structure-Chemistry Relationships in Catalytic Nanoparticles," J. Chem. Phys., p. 094705.

Austin, N., and Mpourmpakis, G., 2014, "Understanding the Stability, Electronic, and Adsorption Properties of Sub-nanometer Group XI Monometallic and Bimetallic Catalysts," J. Phys. Chemc. C, pp. 18521-18528.

Herrmann, S., Stamatakis, M., Andriotis, A.N., and Mpourmpakis, G., 2014, "Adsorption behavior of noble metal clusters and their alloys," J. Comput. Theor. Nanosci., pp. 511-520.

Kostestkyy, P., Yu, J., Gorte, R.J., and Mpourmpakis, G., 2014, "Structure-Activity Relationships on Metal-Oxides: Alcohol Dehydration," Catal. Sci. & Technol., no.11, pp. 3861-3869.

Andriotis, A.N., Mpourmpakis, G., Lisenkov, S., Sheetz, R.M., and Menon, M., 2013, "U-calculation of the LSDA plus U functional using the hybrid B3LYP and HSE functionals," Phys. Status Solidi (b), pp. 356-363.

Christiansen, M., Mpourmpakis, G., and Vlachos, D.G., 2013, "DFT-Computed Mechanisms of Ethylene and Diethyl Ether Formation from Ethanol on ¿-Al2O3(100)," ACS Catal., pp. 1965-1975.

Feng, S., Bagia, C., and Mpourmpakis, G., 2013, "Determination of Proton Affinities and Acidity Constants of Sugars," J. Phys. Chem. A, pp. 5211-5219.

Wang, T., Mpourmpakis, G., Lonergan, W.W., Porosoff, M.D., Vlachos, D.G., and Chen, J.G., 2013, "Effect of Oxide Supports in Stabilizing Desirable Pt-Ni Bimetallic Structures for Hydrogenation and Reforming Reactions," Phys. Chem. Chem. Phys., pp. 12156-12164.

Courtney, T.D., Nikolakis, V., Mpourmpakis, G., Chen, J.G., and Vlachos, D.G., 2012, "Liquid-Phase Dehydration of Propylene Glycol Using Solid-Acid Catalysts," Appl. Catal. A, pp. 59-68.

Roy, S., Mpourmpakis, G., Hong, D.Y., Vlachos, D.G., Bhan, A., and Gorte, R.J., 2012, "A Mechanistic Study of Alcohol Dehydration on ¿-Al2O3," ACS Catal., pp. 1846-1853.

Stamatakis, M., Christiansen, M., Vlachos, D.G., and Mpourmpakis, G., 2012, "Multiscale Modeling Reveals Poisoning Mechanisms of MgO-Supported Au Clusters in CO Oxidation," Nano Lett., pp. 3621-3626.

Vorotnikov, V., Mpourmpakis, G., and Vlachos, D.G., 2012, "A DFT study of furfural conversion to furan, furfuryl alcohol, and 2-methylfuran on Pd(111)," ACS Catal., pp. 2496-2504.

Mpourmpakis, G., and Vlachos, D.G., 2011, "Computational-Based Catalyst Design for Thermochemical Transformations," MRS Bulletin, pp. 211-215.

Mpourmpakis, G., Stamatakis, M., Herrmann, S., Vlachos, D.G., and Andriotis, A.N., 2011, "Predicting the Adsorption Behavior in Bulk from Metal Clusters," Chem. Phys. Lett., pp. 99-103.

Mpourmpakis, G., Velegrakis, M., Mihesan, C., and Andriotis, A.N., 2011, "Symmetry-switching molecular Fe(O2)n+ magnets," J. Phys. Chem. A, no.26, pp. 7456-7460.

Nikbin, N., Mpourmpakis, G., and Vlachos, D.G., 2011, "A Combined DFT and Statistical Mechanics Study for the CO Oxidation on the Au10-1 cluster," J. Phys. Chem. C, pp. 20192-20200.

Mpourmpakis, G., Andriotis, A.N., and Vlachos, D.G., 2010, "Identification of Descriptors for the CO Interaction with Metal Nanoparticles," Nano Lett., pp. 1041-1045.

Mpourmpakis, G., Caratzoulas, S., and Vlachos, D.G., 2010, "What Controls Au Nanoparticle Dispersity during Growth?," Nano Lett., pp. 3408-3413.

Karim, A., Prasad, V., Mpourmpakis, G., Lonergan, W., Frenkel, A., Chen, J., and Vlachos, D.G., 2009, "Correlating Particle Size and Shape of Supported Ru/g-Al2O3 catalysts with NH3 Decomposition Activity," J. Amer. Chem. Soc., pp. 12230-12239.

Mpourmpakis, G., and Vlachos, D.G., 2009, "Growth Mechanisms of Metal Nanoparticles via First Principles," Phys. Rev. Lett., p. 155505.

Mpourmpakis, G., and Vlachos, D.G., 2009, "The Effects of the MgO Support and Alkali Doping on the CO Interaction with Au," J. Phys. Chem. C, pp. 7329-7335.

Andriotis, A.N., Mpourmpakis, G., Richter, E., and Menon, M., 2008, "Surface Conductivity of Hydrogenated Diamond Films," Phys. Rev. Lett., p. 106801.

Mpourmpakis, G., and Froudakis, G.E., 2008, "Assessing the Density Functional Theory in the Hydrogen Storage problem," J. Nanosci. Nanotechnol., pp. 3091-3096.

Mpourmpakis, G., and Vlachos, D.G., 2008, "Insights into the Early Stages of Metal Nanoparticle Formation via First Principle Calculations: The Roles of Citrate and Water," Langmuir, pp. 7465-7473.

Mpourmpakis, G., and Froudakis, G.E., 2007, "Why Boron Nitride Nanotubes are Preferable to Carbon Nanotubes for Hydrogen Storage? An ab-initio Theoretical Study," Catal. Today, pp. 341-345.

Mpourmpakis, G., Froudakis, G.E., Andriotis, A.N., and Menon, M., 2007, "Enhancement of the Ionization-Potential of K and Rb upon Chemisorption on a C60 Molecule.," J. Phys. Chem. C, pp. 6593-6596.

Mpourmpakis, G., Froudakis, G.E., Lithoxoos, G.P., and Samios, J., 2007, "The Effect of Curvature and Chirality for Hydrogen Storage in SWNTs. A Combined Ab-initio and Monte-Carlo Investigation," J. Chem. Phys., p. 144704.

Mpourmpakis, G., Tylianakis, E., and Froudakis, G.E., 2007, "Carbon Nanoscrolls: A Promising Material for Hydrogen Storage Applications," Nano Lett., pp. 1893-1897.

Mpourmpakis, G., and Froudakis, G.E., 2006, "Why Alkali Metals Preferably Bind on Structural Defects of Carbon Nanotubes. A Theoretical Study by First Principles," J. Chem. Phys., p. 204707.

Mpourmpakis, G., Froudakis, G.E., Lithoxoos, G.P., and Samios, J., 2006, "SiC Nanotubes: A Novel Material for Hydrogen Storage Applications," Nano Lett., pp. 1581-1583.

Mpourmpakis, G., Tylianakis, E., and Froudakis, G.E., 2006, "Haeckelites: A New Promising Anode Material for Lithium Batteries Application. A Multi Scale Theoretical Study," Appl. Phys. Let., p. 233125.

Mpourmpakis, G., Tylianakis, E., and Froudakis, G.E., 2006, "Hydrogen Storage in Carbon Nanotubes: A Multi-Scale Theoretical Study," J. Nanosci. Nanotechnol., pp. 87-90.

Mpourmpakis, G., Tylianakis, E., Papanikolaou, D., and Froudakis, G., 2006, "Multi Scale Theoretical Study of Li+ Interaction with Carbon Nanotubes," J. Nanosci. Nanotechnol., pp. 3731-3735.

Mpourmpakis, G., Tylianakis, E., Papanikolaou, D., and Froudakis, G., 2006, "Theoretical Study of Alkaline Metal Cations in Carbon Nanotubes," Rev. Adv. Mat. Sci., no.92.

Mpourmpakis, G., Froudakis, G.E., Andriotis, A.N., and Menon, M., 2005, "Carbon-nanotube tips with edge made of a transition metal," Appl. Phys. Lett., no.193105.

Mpourmpakis, G., Froudakis, G.E., Andriotis, A.N., and Menon, M., 2005, "Role of Co in Enhancing the Magnetism of Small Fe Clusters," Phys. Rev. B, no.104417.

Andriotis, A.N., Mpourmpakis, G., Froudakis, G.E., and Menon, M., 2004, "Magnetic Enhancement and Magnetic Reduction in Binary Clusters of Transition Metal Atoms," J. Chem. Phys., no.11901.

Andriotis, A.N., Mpourmpakis, G., Froudakis, G.E., and Menon, M., 2004, "State-Specific RKKY Interaction in Small Magnetic Clusters," Phys. Rev. B, no.104421.

Mpourmpakis, G., Froudakis, G.E., Andriotis, A.N., and Menon, M., 2003, "Fe Encapsulation by Silicon Clusters: Ab initio Electronic Structure Calculations," Phys. Rev. B, no.125407.

Mpourmpakis, G., Froudakis, G.E., Andriotis, A.N., and Menon, M., 2003, "Understanding the Structure of Metal Encapsulated Si Cages and Nanotubes: Role of Symmetry and d-band Filling," J. Chem. Phys., no.7498.

Mühlhäuser, M., Haubrich, J., Mpourmpakis, G., Mayrandonakis, A., and Froudakis, G.E., 2003, "Ab initio MRD-CI Investigation of Linear HC5H+ and HC7H+," Internet Electronic Journal of Molecular Design, no.biochem press.

Stratakis, M., Rabalakos, C., Mpourmpakis, G., and Froudakis, G.E., 2003, "Ene Hydroperoxidation of Isobutenylarenes within Dye-Exchanged Zeolite Na-Y: Control of Site Selectivity by Cation-Arene Interactions," J. Org. Chem., no.2839.

Andriotis, A.N., Mpourmpakis, G., Froudakis, G.E., and Menon, M., 2002, "Stabilization of Si-based Cage Clusters and Nanotubes by Encapsulation of Transition Metal Atoms," New J. Phys., no.78.

Mpourmpakis, G., Muhlhauser, M., Froudakis, G.E., and Peyerimhoff, S.D., 2002, "Importance of Multi-Reference Configuration Interaction for 3Su- ¿ X3Su- Transitions of Linear HC7H," Chem. Phys. Lett., pp. 398-402.

Fthenakis, Z., and Mpourmpakis, G., "Laboratory Exercises of Physics, Technological Educational Institute of Crete, School of Health and Social Welfare, Department of Human Nutrition and Dietetics. (in Greek)."

Mpourmpakis, G., "Stabilization of Silicon Nanotubes by Encapsulation of Transition Metal Chains."

Mpourmpakis, G., "Theoretical Investigation of Hydrogen Storage in Nanomaterials."

Mpourmpakis, G., Tylianakis, E., and Froudakis, G.E., "Interaction of hydrogen with carbon Nanotubes," in Chemistry of Carbon Nanotubes, E.V. Basiuk, and V.A. Basiuk, eds., American Scientific Publishers.

2014, "Understanding Dehydration in Biomass Conversion to Value-Added Chemicals," Braskem, Pittsburgh, PA, USA.

Mpourmpakis, G., 2014, "Adsorption on Metal Nanoparticles: Size and Shape Matters," AICHE 2014 National Meeting, Atlanta, GA, USA.

Mpourmpakis, G., 2014, "Catalytic Complexity in Simple Reactions: Insights from First Principles Calculations," Pittsburgh Cleveland Catalysis Society meeting, Pittsburgh, PA, USA.

Mpourmpakis, G., 2014, "Structure-Activity Relationships for the Conversion of Biomass Derived Alcohols to Chemicals," AICHE 2014 National Meeting, Atlanta, GA, USA.

Mpourmpakis, G., 2014, "Understanding the Complexity in Catalyst Design through First Principles Calculations," Department of Materials Science and Engineering, University of Michigan, Ann Arbor MI, USA.

Mpourmpakis, G., 2014, "Understanding the Early Stages of Metal Nanoparticle Growth Using Density Functional Theory Calculations," AICHE 2014 National Meeting, Atlanta, GA, USA.

Mpourmpakis, G., 2013, "Understanding the Alcohol Dehydration on Metal Oxides," AICHE 2013 National Meeting, San Francisco, CA, USA.

Mpourmpakis, G., 2012, "Alcohol Dehydration Chemistry," 2012 CCST Research Review, University of Delaware, USA.

Mpourmpakis, G., 2012, "Developing Relationships for the Lewis-Catalyzed Alcohol Dehydration On Alumina," AICHE 2012 National Meeting, Pittsburgh, PA, USA.

Mpourmpakis, G., 2012, "First-Principles Multiscale Modeling of Materials for Energy and Environmental Applications," AICHE 2012 National Meeting, Pittsburgh, PA, USA.

Mpourmpakis, G., 2012, "Poisoning Mechanisms of MgO-Supported Au Clusters in CO Oxidation," AICHE 2012 National Meeting, Pittsburgh, PA, USA.

Mpourmpakis, G., 2010, "Growth Mechanisms of Metal Nanoparticles using Computational Methods," Chemistry Department, University of Athens, Greece.

Mpourmpakis, G., 2010, "Multiscale Simulations of Gold Catalysis," Chemistry Department, University of Crete, Greece.

Mpourmpakis, G., 2009, "2 poster presentations," 21st Meeting of the North American Catalysis Society (21st NAM), San Francisco, CA, USA.

Mpourmpakis, G., 2009, "Charging of metal oxide supported Au clusters and its effect on the CO oxidation reaction," AICHE 2009 National Meeting, Nashville, TN, USA.

Mpourmpakis, G., 2009, "CO Oxidation on Au Nanocatalysts: Insights from First Principle Modeling," 2009 CCST Research Review, University of Delaware, USA.

Mpourmpakis, G., 2009, "First principle modeling of catalyst nanoparticle synthesis," 237th ACS National Meeting, Salt Lake City, UT, USA.

Mpourmpakis, G., 2009, "First principles calculations of supported catalysts: CO binding on MgO supported gold clusters for the CO oxidation reaction," 237th ACS National Meeting, Salt Lake City, UT, USA.

Mpourmpakis, G., 2008, "First principle calculations of supported catalysts: CO binding on MgO supported gold clusters and nanoparticles," 235th ACS National Meeting, New Orleans, LA, USA.

Mpourmpakis, G., 2008, "First principle calculations of supported catalysts: CO binding on MgO supported gold clusters and nanoparticles," AICHE 2008 National Meeting, Philadelphia, PA, USA.

Mpourmpakis, G., 2008, "First principle modeling of catalyst nanoparticle synthesis," 2008 CCST Research Review, University of Delaware, USA.

Mpourmpakis, G., 2008, "Understanding the silver nanoparticle growth via first principle methods," 235th ACS National Meeting, New Orleans, LA, USA.

Mpourmpakis, G., 2008, "Understanding the silver nanoparticle growth via first principle methods," AICHE 2008 National Meeting, Philadelphia, PA, USA.

Mpourmpakis, G., 2007, Fall Research Review '07, Chemical Engineering Department, University of Delaware, USA.

Mpourmpakis, G., 2006, "Several talks," Panhellenic graduate student conferences and workshops.

Mpourmpakis, G., 2005, "Alkali metals interactions with carbon nanotubes," 2nd Panhellenic Symposium on Porous Materials, National Center of Scientific Research 'Demokritos', Athens, Greece.

Mpourmpakis, G., 2005, 20th Panhellenic Chemistry Conference, Ioannina, Greece.

Mpourmpakis, G., 2005, International Conference of Nanomaterials and Nanotechnologies (NN 2005), Crete, Greece.

2004, "Computational Modeling and Simulation of Materials," 3rd International Conference, Acireale (Catania), Sicily, Italy.

Mpourmpakis, G., 2002, 19th Panhellenic Chemistry Conference, Heraklion, Greece.

Mpourmpakis, G., 2002, XVIII Panhellenic Conference of Solid State Physics and Materials Science, Foundation for Research and Technology, Heraklion, Greece.