Theoretical and Computational Electrochemistry

This division of Electrochemistry employs theoretical and computational models to predict the electrochemical system behaviour and redesign the energy storage devices. The development of instrumental techniques necessitates the need for Computational tools for the data analysis. Too many options available for the choice of electrode, electrolyte and membrane separation materials makes it difficult to decide on the combination of the materials to be used while device fabrication. The density functional theory and molecular dynamics models are the simulation models used at nanoscale, while the finite element modelling can be used at a larger scale. First-principles computational methods can be used to study the energy landscape for intercalation and diffusion barriers of materials and thus provide new insights regarding ion transport phenomena, and explain electrochemical characteristics for the design of electrodes. The simulation models for the proton and electron transfer across the membrane in an electrochemical cell are Helmholtz model, Gouy-Chapman-Stern model, Helmholtz model, Tafel diagrams. The development of theoretical models and tools to account for the studies of coupling between charge transport and reactivity in porous films deposited on electrode surfaces.

  • Models of the electrochemical interphase
  • Molecular Dynamics Simulations of Ion Intercalation in Lithium Batteries
  • Modelling of Light Matter Interactions in Nano Electrochemistry

Related Conference of Theoretical and Computational Electrochemistry

August 13-14 2018 , Finnstown Castle Hotel, Dublin, Ireland

20th International Conference on Advanced Energy Materials and Research

August 27-28, 2018

30th International Conference on Materials Chemistry & Science

Toronto, Ontario, Canada
August 27-28, 2018 (World Energy Congress)

2nd International Conference on

Energy Materials and Fuel Cell Research

Boston, Massachusetts, USA
September 04-06, 2018

21st International Conference on Advanced Materials & Nanotechnology

Zürich, Switzerland (Hotel Hilton Zurich Airport)
October 15-16, 2018

8th International Conference on

Polymer Science and Engineering

Las Vegas, Nevada, USA
November 07-08, 2018

3rd International Conference on Applied Crystallography

Atlanta, Georgia, USA
November 22-23, 2018

International Conference on Biomarkers & Clinical Research

Bucharest, Romania
December 06-07, 2018

World Congress on

Innovative Technology and Sustainable engineering

Pacific Gateway Vancouver Airport, 3500 Cessna Dr, Richmond, BC V7B 1C7, Canada
February 18-20, 2019

16th Annual Congress on

Materials Research and Technology

Amsterdam, Netherlands
July 22-23, 2019

35th World Congress on Materials Science and Nanotechnology

Melbourne, Australia

Theoretical and Computational Electrochemistry Conference Speakers

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