Giannis Mpourmpakis (Ioannis Bourmpakis)

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. 

Students
Namesort descending Position Email
Austin, Natalie Graduate Student naa64@pitt.edu
Cowan, Michael Graduate Student
Dean, James Graduate Student jrd101@pitt.edu
Dixit, Mudit Postdoctoral Fellow mud6@pitt.edu
Kostetskyy, Pavlo Graduate Student
Tan, Robin Graduate Student KAT129@pitt.edu
Taylor, Michael Graduate Student mgt16@pitt.edu
Yan, Zihao Graduate Student ZIY11@pitt.edu

Natalie Austin


Graduate Student

naa64@pitt.edu
3700 O'Hara Street, Pittsburgh PA, 15261

Affiliation:

Chemical Engineering
University of Pittsburgh

Project:

Computational investigation of CO2 hydrogenation on bimetallic nanoparticles

Michael Cowan


Graduate Student


905 Benedum Hall, Pittsburgh PA, 15213

Affiliation:

Chemical and Petroleum Engineering
University of Pittsburgh

James Dean


Graduate Student

jrd101@pitt.edu
3700 O'Hara Street, Pittsburgh PA, 15261

Affiliation:

Chemical and Petroleum Engineering
University of Pittsburgh

Project:

Catalysis via nanoparticles

Mudit Dixit


Postdoctoral Fellow

mud6@pitt.edu
3700 O'Hara Street, Pittsburgh PA, 15261
412-352-7858

Affiliation:

Chemical and Petroleum Engineering
University of Pittsburgh

Project:

Computational catalysis

Pavlo Kostetskyy


Graduate Student


905 Benedum Hall, Pittsburgh PA, 15213

Affiliation:

Chemical and Petroleum Engineering
University of Pittsburgh

Robin Tan


Graduate Student

KAT129@pitt.edu
905 Benedum Hall, Pittsburgh PA, 15213

Affiliation:

Chemical and Petroleum Engineering
University of Pittsburgh

Michael Taylor


Graduate Student

mgt16@pitt.edu
3700 O'Hara Street, Pittsburgh PA, 15261
402-740-8975

Affiliation:

Chemical and Petroleum Engineering
University of Pittsburgh

Project:

Metal Nanoparticle Stability/ Reactivity

Zihao Yan


Graduate Student

ZIY11@pitt.edu
3700 O'Hara Street, Pittsburgh PA, 15261

Affiliation:

Chemical and Petroleum Engineering
University of Pittsburgh

Project:

Nanotechnology

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. "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)
  5. "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)
Recent Publications
  1. "Influence of Atomic-Level Morphology on Catalysis: The Case of Sphere and Rod-Like Gold Nanoclusters for CO2 Electroreduction", Shuo Zhao, Natalie Austin, Mo Li, Yongbo Song, Stephen D. House, Stefan Bernhard, Judith C. Yang, Giannis Mpourmpakis, and Rongchao Jin, ACS Catal., 8, 4996 (2018).
  2. "Size‑, Shape‑, and Composition-Dependent Model for Metal Nanoparticle Stability Prediction," Zihao Yan, Michael G. Taylor, Ashley Mascareno, and Giannis Mpourmpakis, Nano Lett. (2018)
  3. "Mechanistic Studies on the Michael Addition of Amines and Hydrazines To Nitrostyrenes: Nitroalkane Elimination via a Retro-aza-Henry-Type Process, Michael G. Kallitsakis, Peter D. Tancini, Mudit Dixit, Giannis Mpourmpakis and Ioannis N. Lykakis, J. Org. Chem., 83, 1176 (2018)
  4. "Understanding the Gas Phase Chemistry of Alkanes with First-Principles Calculations", Jonathan William Estes, Mudit Dixit, and Giannis Mpourmpakis, J. Chem. Eng. Data, 2018
  5. "Designing Cu-based Bimetallic Nanoparticles for CO2Adsorption and Activation," James Dean, Yahui Yang, Natalie Austin, Götz Veser and Giannis Mpourmpakis, ChemSusChem 10.1002/cssc.201702342
  6. "Design of highly selective ethanol dehydration nanocatalysts for ethylene production," Natalie Austin,  Pavlo Kostetskyy  and  Giannis Mpourmpakis, Nanoscale (2018)

More Members