Skip to Main Content U.S. Department of Energy
Fundamental and Computational Sciences Directorate

Staff information

Vanda

Vanda Glezakou

Chemical Physics & Analysis
Scientist
Pacific Northwest National Laboratory
PO Box 999
MSIN: K1-83
Richland, WA 99352

Research Interests

  • Studies of CO2 sorption mechanism in shale components
  • Solvent transformation for post-combustion CO2 separation
  • Mechanistic studies for metal organic framework self-assembly
  • Catalyst design for hydrometallation/transmetallation reactions

Education and Credentials

  • PhD in Physical/Theoretical Chemistry, Iowa State University
  • B.S. Chemistry, National Kapodistrian University of Athens, Greece

Affiliations and Professional Service

  • American Chemical Society
  • American Geophysical Union

PNNL Publications

2014

  • Lee MS, BP McGrail, and VA Glezakou. 2014. "Microstructural Response of Variably Hydrated Ca-Rich Montmorillonite to Supercritical CO2." Environmental Science & Technology 48(15):8612-8619.  doi:10.1021/es5005889
  • Mei D, VA Glezakou, VMC Lebarbier, L Kovarik, H Wan, KO Albrecht, MA Gerber, RJ Rousseau, and RA Dagle. 2014. "Highly Active and Stable MgAl2O4 Supported Rh and Ir Catalysts for Methane Steam Reforming: A Combined Experimental and Theoretical Study." Journal of Catalysis 316:11-23.  doi:10.1016/j.jcat.2014.04.021
  • Mu R, D Cantu Cantu, X Lin, VA Glezakou, Z Wang, I Lyubinetsky, RJ Rousseau, and Z Dohnalek. 2014. "Dimerization Induced Deprotonation of Water on RuO2(110)." The Journal of Physical Chemistry Letters 5(19):3445-3450.  doi:10.1021/jz501810g
  • Schaef HT, VA Glezakou, AT Owen, S Ramprasad, PF Martin, and BP McGrail. 2014. "Surface Condensation of CO2 onto Kaolinite." Environmental Science & Technology Letters 1(2):142-145.  doi:10.1021/ez400169b

2013

  • Glezakou VA, and BP McGrail. 2013. "Density functional simulations as a tool to probe molecular interactions in wet supercritical CO2." Chapter 3 in Application of Molecular Modeling to Challenges in Clean Energy. ACS Symposium Series, vol. 1133, ed. G Fitzgerald and N Govind, pp. 31-49.  American Chemical Society, Washington DC. 
  • Albrecht KO, VA Glezakou, RJ Rousseau, MH Engelhard, T Varga, RJ Colby, JE Jaffe, XS Li, D Mei, CF Windisch, Jr, SM Kathmann, TL Lemmon, MJ Gray, TR Hart, BL Thompson, and MA Gerber. 2013. Rh-Based Mixed Alcohol Synthesis Catalysts: Characterization and Computational ReportPNNL-22697, Pacific Northwest National Laboratory, Richland, WA. 
  • Mei D, VMC Lebarbier, RJ Rousseau, VA Glezakou, KO Albrecht, L Kovarik, MD Flake, and RA Dagle. 2013. "Comparative Investigation of Benzene Steam Reforming over Spinel Supported Rh and Ir Catalysts." ACS Catalysis 3(6):1133-1143.  doi:10.1021/cs4000427
  • Wang Y, Y Yoon, VA Glezakou, J Li, and RJ Rousseau. 2013. "The Role of Reducible Oxide-Metal Cluster Charge Transfer in Catalytic Processes: New Insights on The Catalytic Mechanism of CO Oxidation on Au/TiO2 from Ab Initio Molecular Dynamics." Journal of the American Chemical Society 135(29):10673-10683.  doi:10.1021/ja402063v

2012

  • Glezakou VA, BP McGrail, and HT Schaef. 2012. "Molecular interactions of SO2 with carbonate minerals under co-sequestration conditions: a combined experimental and theoretical study." Geochimica et Cosmochimica Acta 92:265-274.  doi:10.1016/j.gca.2012.06.015
  • Glezakou VA, JE Jaffe, RJ Rousseau, D Mei, SM Kathmann, KO Albrecht, MJ Gray, and MA Gerber. 2012. "The Role of Ir in Ternary Rh-Based Catalysts for Syngas Conversion to C2+ Oxygenates." Topics in Catalysis 55(7-10):595-600.  doi:10.1007/s11244-012-9836-9
  • Lin X, Y Yoon, NG Petrik, Z Li, Z Wang, VA Glezakou, BD Kay, I Lyubinetsky, GA Kimmel, RJ Rousseau, and Z Dohnalek. 2012. "Structure and Dynamics of CO2 on Rutile TiO2(110)-1x1." Journal of Physical Chemistry C 116(50):26322-26334. 
  • Windisch CF, Jr, VA Glezakou, PF Martin, BP McGrail, and HT Schaef. 2012. "Raman Spectrum of Supercritical C18O2 and Re-Evaluation of the Fermi Resonance." Physical Chemistry Chemical Physics. PCCP 14(8):2560-2566.  doi:10.1039/c1cp22349f

2011

  • Glezakou VA, and WA De Jong. 2011. "Cluster-Models for Uranyl(VI) Adsorption on alpha-Alumina." Journal of Physical Chemistry A 115(7):1257-1263. 

2010

  • Glezakou VA, RJ Rousseau, LX Dang, and BP McGrail. 2010. "'Structure, Dynamics and Vibrational Spectrum of Supercritical CO2/H2O Mixtures from Ab Initio Molecular Dynamics as a Function of Water Cluster Formation." Physical Chemistry Chemical Physics. PCCP 12(31):8759-8771.  doi:10.1039/B923306G
  • Glezakou VA, ST Elbert, SS Xantheas, and K Ruedenberg. 2010. "Analysis of Bonding Patterns in the Valence Isoelectronic series O-3, S-3, SO2 and OS2 in Terms of Oriented Quasi-Atomic Molecular Orbitals ." Journal of Physical Chemistry A 114(33):8923-8931. 
  • Mei D, RJ Rousseau, SM Kathmann, VA Glezakou, MH Engelhard, W Jiang, CM Wang, MA Gerber, JF White, and DJ Stevens. 2010. "Ethanol synthesis from syngas over Rh-based/SiO2 catalysts: A combined experimental and theoretical modeling study." Journal of Catalysis 271(2):325-342. 

2009

  • Glezakou VA, and P Taylor. 2009. "On the electron affinity of B2." European Journal of Mass Spectrometry 15(2):337-341.  doi:10.1255/ejms.988
  • Glezakou VA, LX Dang, and BP McGrail. 2009. "Spontaneous activation of CO2 and possible corrosion pathways on the low-index Iron surface Fe(100)." Journal of Physical Chemistry C 113(9):3691-3696. 
  • McGrail BP, HT Schaef, VA Glezakou, LX Dang, and AT Owen. 2009. "Water Reactivity in the Liquid and Supercritical CO2 Phase: Has Half the Story Been Neglected?" Energy Procedia 1(1):3415-3419.  doi:10.1016/j.egypro.2009.02.131

2007

  • Glezakou VA, M Dupuis, and CJ Mundy. 2007. "Acid/base equilibria in clusters and their role in proton exchange membranes: Computational insight." Physical Chemistry Chemical Physics. PCCP 9(43):5752-5760.  doi:10.1039/b709752b

2006

  • Dang LX, GK Schenter, VA Glezakou, and JL Fulton. 2006. "Molecular simulation analysis and X-ray absorption measurement of Ca2+, K+, and Cl- ions in solution." Journal of Physical Chemistry B 110(47):23644-23654. 
  • Glezakou VA, Y Chen, JL Fulton, GK Schenter, and LX Dang. 2006. "Electronic Structure, Statistical Mechanical Simulations, and EXAFS Spectroscopy of Aqueous Potassium." Theoretical Chemistry Accounts 115(2-3):86-99.  doi:10.1007/s00214-005-0054-4

Fundamental & Computational Sciences

User Facilities

Research Areas

Divisions

Research Highlights

View All Research Highlights & Staff Accomplishments

RSS Feed

Contacts