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Vassiliki Alexandra Glezakou

Vassiliki Alexandra Glezakou

D-Index & Metrics

Chemistry

D-Index
53
Citations
8259
World Ranking
13253
National Ranking
3481

Overview

Vassiliki Alexandra Glezakou is affiliated with Oak Ridge National Laboratory in the United States. Their research focuses primarily on materials science, engineering, and chemistry, with significant contributions across several specialized subfields including materials chemistry, mechanical engineering, renewable energy, sustainability and the environment, biomedical engineering, and inorganic chemistry.

Their work covers a range of topics reflecting the intersection of catalytic processes and advanced materials characterization and modeling. Notable research themes include catalytic processes in materials science, electrocatalysts for energy conversion, and the application of machine learning in materials science. Additional areas of expertise involve catalysis for biomass conversion, catalysis and oxidation reactions, X-ray diffraction in crystallography, and electrochemical analysis and applications.

Frequently collaborating with a variety of coauthors, some of the most frequent include Roger Rousseau, Manh-Thuong Nguyen, Mal-Soon Lee, Difan Zhang, and Greg Collinge.

Vassiliki Alexandra Glezakou has published research extensively in several key scientific journals. Among the primary venues are:

  • Journal of the American Chemical Society
  • The Cambridge Structural Database
  • ACS Catalysis
  • Journal of Chemical Theory and Computation
  • ChemSusChem

Recent research publications by Glezakou include the following:

  • "Electrocatalytic Hydrogenation of Biomass-Derived Organics: A Review," 2020, Chemical Reviews
  • "Confinement effects and acid strength in zeolites," 2021, Nature Communications
  • "Theoretical insights into the surface physics and chemistry of redox-active oxides," 2020, Nature Reviews Materials
  • "Effect of Collective Dynamics and Anharmonicity on Entropy in Heterogenous Catalysis: Building the Case for Advanced Molecular Simulations," 2020, ACS Catalysis
  • "General Protocol for the Accurate Prediction of Molecular 13C/1H NMR Chemical Shifts via Machine Learning Augmented DFT," 2020, Journal of Chemical Information and Modeling

Best Publications

  • Dynamic formation of single-atom catalytic active sites on ceria-supported gold nanoparticles

    Yanggang Wang;Donghai Mei;Vassiliki Alexandra Glezakou;Jun Li

  • Water-Lean Solvents for Post-Combustion CO2 Capture: Fundamentals, Uncertainties, Opportunities, and Outlook

    David J. Heldebrant;Phillip K. Koech;Vassiliki Alexandra Glezakou;Roger Rousseau

  • Electrocatalytic Hydrogenation of Biomass-Derived Organics: A Review.

    Sneha A. Akhade;Sneha A. Akhade;Nirala Singh;Nirala Singh;Oliver Y. Gutierrez;Juan Lopez-Ruiz

  • 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.

    Yanggang Wang;Yeohoon Yoon;Vassiliki Alexandra Glezakou;Jun Li;Jun Li

  • Ethanol synthesis from syngas over Rh-based/SiO2 catalysts: A combined experimental and theoretical modeling study

    Donghai Mei;Roger J. Rousseau;Shawn M. Kathmann;Vassiliki Alexandra Glezakou

  • Water reactivity in the liquid and supercritical CO2 phase: Has half the story been neglected?

    B.P. McGrail;H.T. Schaef;V.-A. Glezakou;L.X. Dang

  • CO Oxidation on Au/TiO2: Condition-Dependent Active Sites and Mechanistic Pathways

    Yang Gang Wang;David C. Cantu;Mal Soon Lee;Jun Li

  • Genesis and Stability of Hydronium Ions in Zeolite Channels

    Meng Wang;Nicholas R. Jaegers;Nicholas R. Jaegers;Mal Soon Lee;Chuan Wan

  • Confinement effects and acid strength in zeolites

    Emanuele Grifoni;Giovanni Maria Piccini;Giovanni Maria Piccini;Giovanni Maria Piccini;Johannes A. Lercher;Vassiliki Alexandra Glezakou

  • Carboxyl intermediate formation via an in situ-generated metastable active site during water-gas shift catalysis

    Nicholas C. Nelson;Manh Thuong Nguyen;Vassiliki Alexandra Glezakou;Roger Rousseau

  • Impeding (99)Tc(IV) mobility in novel waste forms.

    Mal Soon Lee;Wooyong Um;Guohui Wang;Albert A. Kruger

  • Molecular simulation analysis and X-ray absorption measurement of Ca2+, K+ and Cl- ions in solution.

    Liem X Dang;Gregory K Schenter;Vassiliki-Alexandra Glezakou;John L Fulton

  • Understanding the Role of Metal and Molecular Structure on the Electrocatalytic Hydrogenation of Oxygenated Organic Compounds

    Juan A. Lopez-Ruiz;Evan Andrews;Sneha A. Akhade;Sneha A. Akhade;Mal Soon Lee

  • Theoretical insights into the surface physics and chemistry of redox-active oxides

    Roger Rousseau;Vassiliki Alexandra Glezakou;Annabella Selloni

  • Highly active and stable MgAl2O4-supported Rh and Ir catalysts for methane steam reforming: A combined experimental and theoretical study

    Donghai Mei;Vassiliki Alexandra Glezakou;Vanessa Mc Lebarbier;Libor Kovarik

  • Competitive Sorption of CO2 and H2O in 2:1 Layer Phyllosilicates

    Herbert T. Schaef;John S. Loring;Vassiliki Alexandra Glezakou;Quin R. Miller

  • Probing equilibrium of molecular and deprotonated water on TiO2(110)

    Zhi Tao Wang;Yang Gang Wang;Rentao Mu;Yeohoon Yoon

  • Anharmonicity and Confinement in Zeolites: Structure, Spectroscopy, and Adsorption Free Energy of Ethanol in H-ZSM-5

    Konstantinos Alexopoulos;Mal Soon Lee;Yue Liu;Yuchun Zhi

  • Effect of Collective Dynamics and Anharmonicity on Entropy in Heterogenous Catalysis: Building the Case for Advanced Molecular Simulations

    Greg Collinge;Simuck Francis Yuk;Manh-Thuong Nguyen;Mal-Soon Lee

  • A Combined Experimental and Theoretical Study on the Activity and Selectivity of the Electrocatalytic Hydrogenation of Aldehydes

    David C. Cantu;Asanga B. Padmaperuma;Manh Thuong Nguyen;Sneha A. Akhade

  • Electronic structure, statistical mechanical simulations, and EXAFS spectroscopy of aqueous potassium

    Vassiliki-Alexandra Glezakou;Yongsheng Chen;John L. Fulton;Gregory K. Schenter

  • Spontaneous Activation of CO2 and Possible Corrosion Pathways on the Low-Index Iron Surface Fe(100)

    Vassiliki-Alexandra Glezakou;Liem X. Dang;B. Peter McGrail

Frequent Co-Authors

Roger Rousseau
Roger Rousseau Pacific Northwest National Laboratory
Johannes A. Lercher
Johannes A. Lercher Technical University of Munich
Zdenek Dohnalek
Zdenek Dohnalek Pacific Northwest National Laboratory
B. Peter McGrail
B. Peter McGrail Pacific Northwest National Laboratory
Yang-Gang Wang
Yang-Gang Wang Southern University of Science and Technology
Oliver Y. Gutiérrez
Oliver Y. Gutiérrez Pacific Northwest National Laboratory
Jun Li
Jun Li National University of Singapore
János Szanyi
János Szanyi Pacific Northwest National Laboratory
Donghai Mei
Donghai Mei Tianjin Polytechnic University
Libor Kovarik
Libor Kovarik Pacific Northwest National Laboratory

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