All Stories

  1. Application of Screening Functions as Cutoff-Based Alternatives to Ewald Summation in Molecular Dynamics Simulations Using Polarizable Force Fields

    Article • Journal of Chemical Theory and Computation, January 2018, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  2. The nanoscale structure of the electrolyte–metal oxide interface

    Article • Energy & Environmental Science, January 2018, Royal Society of Chemistry

    Dr Jenel Vatamanu

  3. Modeling Insight into Battery Electrolyte Electrochemical Stability and Interfacial Structure

    Article • Accounts of Chemical Research, November 2017, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  4. Ramifications of Water-in-Salt Interfacial Structure at Charged Electrodes for Electrolyte Electrochemical Stability

    Article • The Journal of Physical Chemistry Letters, August 2017, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  5. On the application of constant electrode potential simulation techniques in atomistic modelling of electric double layers

    Article • Molecular Simulation, March 2017, Taylor & Francis

    Dr Jenel Vatamanu

  6. Charge storage at the nanoscale: understanding the trends from the molecular scale perspective

    Article • Journal of Materials Chemistry A, January 2017, Royal Society of Chemistry

    Dr Jenel Vatamanu

  7. A comparative study of room temperature ionic liquids and their organic solvent mixtures near charged electrodes

    Article • Journal of Physics Condensed Matter, September 2016, Institute of Physics Publishing

    Dr Jenel Vatamanu

  8. Importance of Ion Packing on the Dynamics of Ionic Liquids during Micropore Charging

    Article • The Journal of Physical Chemistry Letters, January 2016, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  9. Tailoring graphene-based electrodes from semiconducting to metallic to increase the energy density in supercapacitors

    Article • Nanotechnology, October 2015, Institute of Physics Publishing

    Dr Jenel Vatamanu

  10. Capacitive Energy Storage: Current and Future Challenges

    Article • The Journal of Physical Chemistry Letters, September 2015, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  11. Non-Faradaic Energy Storage by Room Temperature Ionic Liquids in Nanoporous Electrodes

    Article • ACS Nano, June 2015, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  12. Ionic liquids at charged surfaces: Insight from molecular simulations

    Article • Journal of Non-Crystalline Solids, January 2015, Elsevier

    Dr Jenel Vatamanu

  13. A comparative study of alkylimidazolium room temperature ionic liquids with FSI and TFSI anions near charged electrodes

    Article • Electrochimica Acta, November 2014, Elsevier

    Dr Jenel Vatamanu

  14. On anodic stability and decomposition mechanism of sulfolane in high-voltage lithium ion battery

    Article • Electrochimica Acta, July 2014, Elsevier

    Dr Jenel Vatamanu

  15. Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms

    Article • Energy & Environmental Science, January 2014, Royal Society of Chemistry

    Dr Jenel Vatamanu

  16. Influence of temperature on the capacitance of ionic liquid electrolytes on charged surfaces

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr Jenel Vatamanu

  17. Increasing Energy Storage in Electrochemical Capacitors with Ionic Liquid Electrolytes and Nanostructured Carbon Electrodes

    Article • The Journal of Physical Chemistry Letters, September 2013, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  18. On the Atomistic Nature of Capacitance Enhancement Generated by Ionic Liquid Electrolyte Confined in Subnanometer Pores

    Article • The Journal of Physical Chemistry Letters, January 2013, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  19. A molecular dynamics simulation study of the electric double layer and capacitance of [BMIM][PF6] and [BMIM][BF4] room temperature ionic liquids near charged surfaces

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Dr Jenel Vatamanu

  20. Electrode/Electrolyte Interface in Sulfolane-Based Electrolytes for Li Ion Batteries: A Molecular Dynamics Simulation Study

    Article • The Journal of Physical Chemistry C, November 2012, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  21. Nanopatterning of Electrode Surfaces as a Potential Route to Improve the Energy Density of Electric Double-Layer Capacitors: Insight from Molecular Simulations

    Article • The Journal of Physical Chemistry Letters, May 2012, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  22. Molecular Dynamics Simulation Study of the Interfacial Structure and Differential Capacitance of Alkylimidazolium Bis(trifluoromethanesulfonyl)imide [Cnmim][TFSI] Ionic Liquids at Graphite Electrodes

    Article • The Journal of Physical Chemistry C, March 2012, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  23. Molecular Dynamics Simulation Studies of the Structure of a Mixed Carbonate/LiPF 6 Electrolyte near Graphite Surface as a Function of Electrode Potential

    Article • The Journal of Physical Chemistry C, January 2012, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  24. On the Influence of Surface Topography on the Electric Double Layer Structure and Differential Capacitance of Graphite/Ionic Liquid Interfaces

    Article • The Journal of Physical Chemistry Letters, September 2011, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  25. Molecular Simulations of the Electric Double Layer Structure, Differential Capacitance, and Charging Kinetics forN-Methyl-N-propylpyrrolidinium Bis(fluorosulfonyl)imide at Graphite Electrodes

    Article • The Journal of Physical Chemistry, March 2011, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  26. Molecular Insights into the Potential and Temperature Dependences of the Differential Capacitance of a Room-Temperature Ionic Liquid at Graphite Electrodes

    Article • Journal of the American Chemical Society, October 2010, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  27. Observation of two-step nucleation in methane hydrates

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Peter Kusalik Kusalik, Dr Jenel Vatamanu

  28. Molecular dynamics simulations of atomically flat and nanoporous electrodes with a molten salt electrolyte

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Dr Jenel Vatamanu

  29. (Invited) Bulk and Interfacial Behavior of Ionic Liquids from Molecular Dynamics Simulations

    Article • January 2010, The Electrochemical Society

    Dr Jenel Vatamanu

  30. Heterogeneous Crystal Growth of Methane Hydrate on Its sII [001] Crystallographic Face

    Article • The Journal of Physical Chemistry, February 2008, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  31. Microfaceting and its implication in the nonrandom stacking in fcc crystals

    Article • Physical Review B, July 2007, American Physical Society (APS)

    Dr Jenel Vatamanu

  32. Molecular dynamics methodology to investigate steady-state heterogeneous crystal growth

    Article • The Journal of Chemical Physics, March 2007, American Institute of Physics

    Dr Jenel Vatamanu

  33. Utilizing Averaged Configuations from Molecular Dynamics Simulation Trajectories

    Article • January 2007, Institute of Electrical & Electronics Engineers (IEEE)

    Dr Jenel Vatamanu

  34. Unusual Crystalline and Polycrystalline Structures in Methane Hydrates

    Article • Journal of the American Chemical Society, December 2006, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  35. Molecular Insights into the Heterogeneous Crystal Growth of sI Methane Hydrate

    Article • The Journal of Physical Chemistry, August 2006, American Chemical Society (ACS)

    Dr Jenel Vatamanu

  36. Evaluation of site-site bridge diagrams for molecular fluids

    Article • The Journal of Chemical Physics, October 2004, American Institute of Physics

    Dr Jenel Vatamanu

  37. Discrimination in racemates of small chiral molecules

    Article • Molecular Physics, October 2003, Taylor & Francis

    Dr Jenel Vatamanu

  38. Racemic fluids of hard molecules

    Article • The Journal of Chemical Physics, May 2001, American Institute of Physics

    Dr Jenel Vatamanu